Can Bang Long Hoi

Ministry of Higher Education
& scientific research

University of Technology
Chemical Engineering Department
ISOBARIC VAPOR-LIQUID
EQUILIBRIA OF ENILOSAG
TA SMETSYS SEVITIDDA
101.3 aPk
A Thesis
Submitted to the Department of Chemical Engineering
of The University of Technology
in Partial Fulfillment of the Requirements for the Degree of Master
of Science
in
Chemical Engineering
By
RAWA ABD AL RAZAQ KHAMAS

(B. Sc. 2003)
1429
2008
) (105
Certificate
We certify, as an examining committee, that we have read the thesis titled
Isobaric Vapor-Liquid Equilibria of Gasoline additives Systems at 101.3kPa
and examined the student RAWA ABD AL RAZAQ KHAMAS and found that the
thesis meets the standard for the degree of Master of Science in Chemical
Engineering.
Signature :
Name
Signature:
: Dr. Khalid F. Chasib
Name :prof. Dr. Balasim A. Abid
(Supervisor)
Date
(Member)
/ 2008
Date
/ 2008
Signature :
Name
: Dr.Adnan A. abdul Razak

(Member)
Date
/ 2008
Signature : Prof. Dr. Mahmoud O. Abdullah
Name
:
(Chairman)
Date
/ 2008
Approval by the University of technology

Signature :
Name
Date
/ 2008
Certification
I certify that this thesis titled Isobaric Vapor-Liquid Equilibria of
Gasoline Additives Systems at 101.3 kPa was prepared by RAWA
ABD AL RAZAQ KHAMAS, under my supervision at the Department of
Chemical Engineering, University of technology, in partial fulfillment of
the requirements for the degree of Master of science
Engineering.
Signature:
Name
Data
: Dr. Khalid F. Chasib

:
/
/ 2008
in Chemical
ACKNOWLEDGMENT
ACKNOWLEDGMENT
Praise be to God for His entire blessing during the pursuit of
my academic study.
I would like to express my sincere thanks and gratitude to my
supervisor Dr. Khalid Farhod Chasib for his help throughout the
preparation of this thesis.
I would like to extend my acknowledgment to the Head of
Chemical Engineering Department for his help in providing
facilities.
Thanks are due to the rest of the staff of Chemical
Engineering Department of University of technology for their help
during my work.
I would like to express my gratitude and appreciation to my
family specially my father and my mother for their love, sacrifices
and patience during my all years of study.
Last but not least special thanks and appreciation go to my
husband Abdullah Hamdan alkenzawi for his love and his help.
Abstract
ABSTRACT
Obtaining accurate values for vapor-liquid equilibrium (VLE) is very
important in the design of separation equipment and some industrial applications
in chemical engineering. So in order to obtain accurate properties of VLE
attention has been turned to calculate them from equations of state (EOS) and
activity coefficient models , noting that those equations of state are strongly
nonlinear as well as inaccurate results may by obtained when they are applied to
nonideal and polar systems. To overcome these problems efforts were directed
to modify or improve EOS and their mixing and combining rules.
In this study, isobaric vapor-liquid equilibrium of gasoline additives for
three ternary
Methyl-2-
systems:MTBE+Ethanol+2-Methyl-2-propanol,Ethanol+2-
propanol+Octane, and MTBE+Ethanol+Octane at 101.3kPa are
studied. furthermore three binary systems: ethanol+2-Methyl-2-propanol,

MTBE+Ethanol, and MTBE + Octane at 101.3 kPa have been studied.
The binary system MTBE + ethanol forms minimum boiling azeotrope.
The azeotrope data are x 1 (AZ) =0.955 mole fraction and T (AZ) =327.94 K. The
R
other ternary systems and the other binary systems do not form azeotrope.
All the data used from [3] and [69] passed successfully the test for
thermodynamic consistency using McDermott-Ellis test method.
In this study the calculation of VLE Kvalues is done by using three
methods, the first method uses modified Soave Redlich and Kwong (SRK),
modified Peng and Robinson (PR) equations of state for two phases. The second
method uses SRK-EOS for vapor phase with (NRTL, UNIQUAC and UNIFAC
activity coefficient models for liquid phase) and using PR-EOS for vapor phase
with (NRTL, UNIQUAC and UNIFAC activity coefficient models for liquid
phase). The third method uses the Wong- Sandler mixing rules and the PRSVEOS based on GE of (NRTL and UNIQUAC activity coefficient models).
P
ii
Abstract
The non ideality of both vapor and liquid phases for the literature data for
the ternary and binary systems have been accounted for in developing of the
computer program for predicting VLE Kvalues using the maximum likelihood
principle for parameter estimation which provides a mathematical and
computational guarantee of global optimality in parameters estimation.
The Wong- Sandler mixing rules and the PRSV- EOS based on excess Gibbs
free energy GE of NRTL activity coefficient model give more accurate results
P
for correlation and prediction of the K-values than other methods for the ternary
and binary systems which contain asymmetric and polar compounds.
a) For the three binary systems of 71 data points the results obtained for VLE
K-values use theWong- Sandler mixing rules and the PRSV- EOS based on
GE of NRTL activity coefficient models , the overall average absolute
P
deviations (AAD) and overall percentage mean deviations are 0.0232 and
0.8387 respectively.
b) For the three ternary systems of 298 data points the results for VLE K-values
use theWong- Sandler mixing rules and the PRSV- EOS based on GE of
P
NRTL activity coefficient models, the overall average absolute deviations

(AAD) and overall percentage mean deviations are 0.011 and 1.387
respectively.
iii
TNETNOC FO TSIL
LIST OF CONTENTS
U
Subject
Acknowledgment
Abstract
List of Contents
Nomenclature
page
i
ii
iv
x
Chapter One
Introduction
Introduction
Chapter Two
Literature Survey
5
2.1 Gasoline
2.2 Octane rating
2.3 lead
0B
5
6
2.4 Oxygenates
2.5 Historical Perspective
2.6 Description of Oxygenates used in gasoline
7
7
10
2.6.1 Properties of MTBE
13
2.6.1.1 Physical Properties
14
2.6.1.2 Blending Characteristics
14
2.6.2 Properties of Ethanol
15
16
17
2.6.3 Other Oxygenates
18
2.6.3.1 2-methyl-2-propanol
18
iv
TNETNOC FO TSIL
2.7 Environmental impact of using oxygenates in gasoline
19
2.8 Methods of Calculation of Vapor-Liquid Equilibria by Means 20

of an Equation of State and activity coefficient models
CHAPTER THREE
1B
THE THEORY
2B
3.1
Phase Equilibrium
28
3.2
Equation of State
29
3.2.1
Properties from Equation of State
32
3.2.1.1
Fugacity and Fugacity Coefficients
32
3.2.2
Redlich - Kwong Equation of State (RK EOS)
35
3.2.3
Soave Redlich - Kwong Equation of State (SRK
37
3.2.3.1
SRK-EOS Parameters
39
3.2.3.2
SRK-EOS Mixing Rules
39
3.2.3.3
SRK-EOS Fugacity Coefficient
40
3.2.4
Peng-Robinson Equation of State (PR EOS)
40
3.2.4.1
PR-EOS Parameters
41
3.2.4.2
PR-EOS Mixing Rules
41
3.2.4.3
PR-EOS Fugacity Coefficient
42
3.2.5
SRK and PR Equations of State Failure and
42
Improved Points
3.3
3.3.1
3.4
Activity Coefficient Models
43
Activity and Activity Coefficients

Vapor Pressure Equations
43
44
TNETNOC FO TSIL
3.5
Prediction and Correlation of Vapor Liquid Equilibrium 45

Data
3.5.1
Non-Random Two-Liquid (NRTL) Model
46
3.5.2
The UNIQUAC Equations
48
Principle of the Group Contribution Methods
51
3.5.3
3B
3.5.3.1 UNIFAC model
3.6
52
Calculations with Mixing Rules Based on GE Models.

P
54
54
3.6.1
Wong-Sandler mixing rules
3.6.2
Peng-Robbinson-Strryjek-Vera Equation of state(PRSV-
57
EOS)
3.6.3
Using NRTL expression
3.6.4
Using UNIQUAC expression
58
58
3.7
Phase Equilibrium Calculations (K-Values)
59
3.8
Modification of Mixing and Combining Rules
61
3.8.1
First Correlation Approach Method
62
3.8.2
Second Correlation Approach Method
63
3.9
Equation of State Roots
65
3.10 Parameter Estimation
67
3.10.1
Maximum-Likelihood Principle
67
3.10.2
Effects of Estimated Variances
70
3.10.3
Systematic Error
70
vi
TNETNOC FO TSIL
3.11 Thermodynamic Consistency Test
70
CHAPTER FOUR
RESULTS AND DISCUSSION
4.1 System Selection
73
4.1.1
Binary systems
73
4.1.2 Ternary systems
75
81
4.3 Statistical Measurement and Analysis of Dispersion
82
4.4 Improvement of Equation of State
83
4.5 Computer Implementation
85
4.5.1
85
Estimation of Equilibrium Constant
4.5.2 Solution of Cubic Equation of State
86
4.5.3 Interaction Coefficient
90
4.6 Discussion of Results
91
4.6.1 Binary systems

4.6.2 Ternary systems
92
92
CHAPTER five
Conclusion and Recommendation for future work

5.1Conclusion
107
5.2 Recommendation for Future Work
112
REFERENCES
113
APPENDIX A
TABLES OF DATA FOR BINARY & TERNARY SYSTEMS
vii
TNETNOC FO TSIL
A.1 Binary systems

A.1.1 binary system ()
[Ethanol (1) +2-methyl-2-propanol (2)]
A.1.2 binary system()
[MTBE (1) + Ethanol (2)]
A.1.3 binary system()
[MTBE (1) +Octane (2)]
A-1
A-1
A-11
A-21
A.2 Ternary systems

A.2.1 ternary system ()
[MTBE (1) +Ethanol (2) + 2-methyl-2-propanol(3) ]
[Ethanol (1) +2-methyl-2-propanol (2) +Octane (3)]
[MTBE (1) +Ethanol (2) + Octane (3)]
A-26
A-26
A-46
A-66
APPENDIX B
TABLES OF EQUILIBRIUM CONSTANT FOR BINARY
&TERNARY SYSTEMS
K-VALUE
B.1 BINARY SYSTEMES
B.1.1 binary system ()
B.1.2 binary system()
B-1
B-1
B.2 Ternary SYSTEMES:

B.2.1 ternary system ()
[MTBE (1) +Ethanol (2) + 2-methyl-2-propanol (3) ]
B-21
B-21
viii
B-11
B-16
B-41
B-61
TNETNOC FO TSIL
APPENDIX C
CALCULATED RESULTS
C-1
Appendix D
4B
COMPUTER PROGRAM
5B
D.1 Finding the Roots of a Polynomial
D-1
D.2 Optimization Technique for Parameters Estimation
D-2
D.3 NRTL activity Coefficient model program
D-6
D.4 BASIC program for UNIFAC model

D.5 Prediction of Phase Equilibria K-Values
D-7
D-23
E-1
Appendix E
6B
Example of calculations
7B
Note: all appendixes are shown in CD
ix
Nomenclature
NOMENCLATURE
Abbreviations
U
Abbreviation
U
Meaning
U
AAD
Average Absolute Deviations
CEOS
Cubic equation of state
EOS
Equation of State
EOS-GE
Excess Gibbs free energy (GE) equation of state model
K-Value
Equilibrium Constant
LLE
Liquid-Liquid equilibrium
Mean D %
Percentage of Mean Overall Deviation
NRTL
Non-Random Two Liquid activity coefficient model
OF
Objective Function
PR
Peng and Robinson equation of state
PRSV
Stryjek and Vera modification of Peng and Robinson
Equation of state
SRK
Soave Redlich and Kwong equation of state
UNIFAC
UNIQUAC Functional Group Activity Coefficients model
UNIQUAC
Universal Quasi-Chemical activity coefficient model
VdW
Van der Waals equation of state
VLE
Vapor Liquid Equilibrium
WS
Wong and Sandler mixing rules
Nomenclature
Symbols
Symbol
Meaning
Unit
Attractive term (parameter) of the cubic equation of state
aE EOS
P
PR
ai
R
Excess molar Helmoltz energy
kJ / kmol
Combining rule coefficient
a ij
R
Mixing rule coefficienamn
a mn
Group interaction parameter of equation (3.76)
aijO
Mixing rule coefficient
Cohesion parameter of cubic equation of state
Vapor pressure coefficient of Antoine equation, equation C.14
Ai
R
Covolume term (parameter) of the cubic equation of state
bi
R
Covolume term (parameter) of the cubic equation of state
Bi
R

Empirical constant of equation (3.77)
Local deviation, equation (4.2)

Deviation of pair of points c and d
D cd
R
D max
R
fi
R
Local maximum deviation

Fugacity of pure component i
f `i
P
PR
Fugacity of component i in the solution
f ig
Fugacity of ideal gas
g ij
Energy parameter of equation (3.52)
GE
P
Excess Gibbs free energy model
xi
J/mol
kJ / kmol
Nomenclature
h ij
R
Binary interaction coefficient of equation (3.116)
hE
Molar excess enthalpy
k ij
R
Binary interaction parameter for components i and j
K1cal
Calculated K-value of component 1
ka
ij
Interaction coefficient of equation (3.109)
kb
ij
Ki
R
Interaction coefficient of equation (3.110)

K-values or equilibrium constant of component i
li
Constant defined on equation (3.65)
Emprical constant for pure component of equation (3.106)
Intensive property; M = K-value or T
Emprical constant for pure component of equation (3.106)
ni
R
Number of moles of component i
Number of compounds in the mixture
Equilibrium pressure of the system
MPa
Critical Pressure
MPa
Vapor pressure of pure component i
MPa
Pis
Vapor pressure at saturation of component i
MPa
Pr
Reduce Pressure
PC
R
Pi
R
RP
P lit
R
P cal
R
qi
R
Literature Pressure
MPa
Calculated Pressure
MPa
Pure component parameter of equation (3.71)
Group surface parameter of equation (3.72)
Qk
R
Pure component parameter of equation (3.71)
Universal gas constant, its value equal to 8.314
Rv
Ratio of volumes
Objective function, equation (3.117)
cm3 MPa
mol K
ta, tb
Temperature of point a and b , equation 4.3
Temperature
xii
Nomenclature
TC
Critical temperature
Tr
Reduced temperature
Energy parameter of equation (3.63)
u ij
R
Pure component molar volume
cm3/kmole
v guess
Initial guess of molar volume calculation
cm3/kmole
Volume
v
R
VE
xi
R
cm3/kmole
P
Mole fraction of component i in liquid phase
Xm
yi
cm3
Excess molar volume
Group mole fraction for group m

Mole fraction of component i in vapor phase
Compressibility factor
zc
R
Critical compressibility factor
Greek Litters
Symbol
Meaning
Temperature dependency of the attractive term of equation of state
Activity coefficient
Activity coefficient of group k in equation (3.73)
Poynting factor of equation (3.47)
Partial differentiation
v(i) k
P
Number of group of type k in molecule i
PR
Standard deviation
Estimated variance
Fugacity coefficient
ij
Empirical constant of equation (3.55)
mn
Group interaction parameter of equation (3.76)
Acentric factor
xiii
Nomenclature
Subscript
Symbol
Meaning
Critical property
cal.
Calculated value
cd
Pair of points c and d
lit.
Literature value
guess
Initial guess
Component i in the mixture
ii
interaction between the i molecules
ij
Binary interaction between i and j
Component j in the mixture
Mixture
max
Maximum value
Superscript
Symbol
Meaning
(1), (2), (M)
Equilibrium phases
Pure compound
Calculated value
Configurational
cal
Calculated value
Excess property
ig
Ideal gas
lit.
Literature value
Liquid phase
xiv
Nomenclature
Estimated true value
obs
Observed value
residual
Saturation condition
Vapor phase
xv
Chapter one: Introduction
CHAPTER ONE
INTRODUCTION
Phase equilibria and fluid properties calculations are required in the design
of separation processes and analysis of petroleum and gas production operations.
The separation of multicomponent mixtures into pure components or fractions of
desired composition is of great interest in the petroleum industry [1].
The study of gasoline + alcohol and ethers mixtures using the methods of
physical-chemical analysis is considered at the present time as a difficult goal as
gasoline is an extremely complex mixture of hydrocarbons of varying composition.
Accordingly, a more appropriate approach would seem to be to study model
hydrocarbon + alcohol and ethers mixtures composed of a small number of
individual compounds [2].
The reasons for studying mixtures of hydrocarbons and oxygen-containing
compounds relating to the use of oxygen-containing compounds in motor fuels.
Ethers and alcohols used as gasoline additives have excellent antiknock
properties and are environmentally acceptable substances. Gasoline blended with
about 7-15 % 2-methoxy-2-methyl propane (MTBE) has been used for highperformance premium gasoline. On the other hand, recommendations for gasoline
additives include not only pure MTBE but also mixtures with alcohols for highoctane gasoline [3].
When thermodynamics is applied to vapor-liquid equilibrium, the goal is to
find by calculation the temperatures, pressures, and compositions of phases in
equilibrium. Indeed, thermodynamics provides the mathematical framework for the
systematic correlation, extension, generalization, evaluation, and interpretation of
data. Moreover, it is the means by which the predictions of various theories of
molecular physics and statistical mechanics may be applied to practical purposes.

None of this can be accomplished without models for the behavior of systems in
vapor-liquid equilibrium [4].
The quantitative prediction of phase behavior is a central problem in
chemical engineering thermodynamics and a very important consideration in the
design of chemical process plant.
The most infinite number of possible mixture and wide range of temperature
and pressure encountered in process engineering is such that no single
thermodynamic model is ever likely to be applicable in all cases.
The basic problem to deal with thermodynamic modeling of petroleum fluids
is the calculation of high-pressure vapor-liquid equilibria. This is usually done by
means of equation of state (EOS) among which the most common are RedlichKwong-Soave (SRK) and Peng-Robinson (PR). Nevertheless, those equations
when applied to mixtures require mixing rules in which molecular interactions are
accounted for by means of a binary interaction parameter, the so-called k ij , whose
R
choice is difficult even for the simplest systems [5].

The literature data were correlated using activity coefficient models for the
liquid phase and equation of state (EOS) for the vapor phase and some time with
the liquid phase too.
Many proposed activity coefficient models can be used to correlate the
literature data for the liquid phase for binary and ternary systems. Among these
models are Non-Random Two-Liquid (NRTL) model, the Universal quasi-chemical
equations (UNIQUAC), and the Uniquac functional group activity coefficients
(UNIFAC).
An important advance in the description of phase equilibria is to combine the
strengths of both EOS and activity coefficient approaches by forcing the mixing
rule of an EOS to behave with composition dependence like the GE model. These
P
are called GE mixing rules and generally include the direct use of activity
P
coefficient parameters fitted to VLE data [6].

In common practice, a chemical engineer is concerned with models for
predicting vapor-liquid equilibria from a minimum amount of data, with a
minimum set of parameters [7].
In the past five decades the researchers tried to calculate the properties of
vapor-liquid equilibria by making a mathematical model, which is a function of
composition and some constants, which fit the experimental data. This
mathematical model is not supported by any theoretical base. With the
development of computer and computer programs the use of analytical expressions
to interpolate, extrapolate and even predict thermodynamic information has become
of increasing importance for process design and for modeling of process operation
[8].
The scope of this work encompasses the following objectives:
1-
Studying the vapor-liquid equilibrium data found in literature for Three

ternary systems:
MTBE+Ethanol+2-Methyl-2-propanol, Ethanol+2-
Methyl-2-propanol+Octane, and MTBE+Ethanol+Octane And three binary

systems: ethanol+2-Methyl-2-propanol, MTBE+Ethanol, and MTBE +
Octane at 101.3 kPa.
2-
Studying the most important equations of state and activity coefficient

models for their abilities to predict vapor-liquid equilibria K-values for binary
and ternary systems accurately.
3-
Testing main existing correlations against values found in literature. This test
includes the effectiveness of interaction coefficients on the accuracy of
3
predictions of vapor-liquid equilibria
K-values for the ternary systems and
the binary systems.

4-
Developing of a computer program for correlation of vapor-liquid equilibria

K-values for the given mixtures.
Chapter two: Literature survey
CHAPTER TWO
LITERATURE SURVEY
The principal focus of this survey is on the following:

1-
Definition of gasoline additives and the usage history and the properties of
gasoline additives.
2-
Definition of the nature of problems associated with vapor-liquid equilibria.
3-
Description of the methods for prediction of the properties of vapor-liquid

equilibria.
2.1
Gasoline
Gasoline is a mixture of about 150 chemicals refined from crude oil. Its
usually a colorless, light brown or pink liquid. Gasoline is used in cars, boats,
motorcycles and other engines. Gasoline usually contains additives affecting the
way it burns.
In order to improve gasoline performance, many gasoline additives have been
developed. Starting in the 1920s, organo-lead compounds (e.g. tetraethyl-lead)
were added to gasoline to increase octane levels and gasoline performance [9].
2.2 Octane Rating

An important characteristic of gasoline is its octane rating, which is a
measure of how resistant gasoline is to the abnormal combustion phenomenon
known as detonation (also known as knocking, pinging, spark knock, and other
names). Deflagration is the normal type of combustion.
Octane rating is measured relative to a mixture of 2,2,4-trimethylpentane (an

isomer of octane) and n-heptane. There are a number of different conventions for
expressing the octane rating; therefore, the same fuel may be labeled with a
different numbers, depending upon the system used.
2.3 Lead
The mixture known as gasoline, when used in high compression internal
combustion engines, has a tendency to auto ignite (detonation) causing a damaging
engine knocking (also called pinging or pinking) noise. Early research into
this effect was led by A.H. Gibson and Harry Ricardo in England and Thomas
Midgley and Thomas Boyd in the United States.The discovery that lead additives
modified this behavior led to the widespread adoption of the practice in the 1920s
and therefore more powerful higher compression engines. The most popular
additive was tetraethyl lead. However, with the discovery of the environmental and
health damage caused by lead, and the incompatibility of lead with catalytic
converters found on virtually all newly sold US automobiles since 1975s, this
practice began to wane (encouraged by many governments introducing differential
tax rates) in the 1980s. Most countries are phasing out leaded fuel; different
additives have replaced the lead compounds. The most popular additives include
aromatic hydrocarbons, ethers and alcohol (usually ethanol or methanol).
In the U.S., where lead was blended with gasoline (primarily to boost octane
levels) since the early 1920s, standards to phase out leaded gasoline were first
implemented in 1970.
Many classic cars engines have needed modification to use lead-free fuels
since leaded fuels became unavailable. However, lead substitute products are
also produced and can sometimes be found at auto parts stores.
Gasoline, as delivered at the pump, also contains additives to reduce internal

engine carbon buildups, improve combustion, and to allow easier starting in cold
climates [10].
2.4 Oxygenates
Oxygenates are hydrocarbons that contain one or more oxygen atoms.
Oxygenates are usually employed as gasoline additives to reduce carbon monoxide
that is created during the burning of the fuel.
The oxygenates commonly used are either alcohols or ethers:
Alcohols:
Methanol (MeOH)
Ethanol (EtOH)
Isopropyl alcohol (IPA)
n-butanol (BuOH)
Gasoline grade t-butanol (GTBA)
Ethers:
Methyl tert-butyl ether (MTBE)
Tertiary amyl methyl ether (TAME)
Tertiary hexyl methyl ether (THEME)
Ethyl tertiary butyl ether (ETBE)
Tertiary amyl ethyl ether (TAEE)
Diisopropyl ether (DIPE)
2.5 Historical Perspective

Gasoline refiners began using oxygenates in the U.S. principally as octane
boosters. Due to the lead phase out which began in 1973, refiners had to replace the
octane loss in gasoline. Oxygenates were a natural choice to replace the octane loss
because they have relatively high octane ratings.
Adding a small volume of oxygenate into gasoline offers significant gains in
the octane of the gasoline blend. Oxygenates such as ethanol were also used as
volume extenders in gasoline during the 1974 energy crisis.
Refiners blended
gasoline with ethanol (gasohol) up to 10 volume percent to increase gasoline

supplies.
In California, most refiners have designed their refineries around the ability
to use MTBE to meet state and federal requirements for oxygenated and
reformulated gasoline and to provide the desired gasoline volumes.
In the early 20th century, automotive engineers discovered that engines with
no knocks would operate in smoother and more efficient way. In 1916, Thomas
Midgely[11] a research scientist working for the Dayton Research Laboratories of
Dayton, Ohio discovered that addition of iodine to gasoline substantially reduced
engine knocks. Engine knocks related to low quality of fuel combustion later
known as octane. Iodine raised octane and eliminated the knocks. Iodine has two
major drawbacks; it is corrosive and prohibitively expensive. In a joint research
work in 1917, Charles Kettering (inventor of electric self-starter) and Midgley
blended ethyl alcohol (grain alcohol) with gasoline and concluded that alcohols
mixed with gasoline could produce a suitable motor fuel [12].
During his search for chemicals that could be added to gasoline and reduce
engine knocks, Midgley [11] discovered the antiknock properties of tetraethyl lead
(TEL) in December 1921. Manufacturing of TEL began in 1923 with a small
operation in Dayton, Ohio that produced about 600 liter of TEL per day. One liter
of TEL was enough to treat 1150 liter of gasoline. The Research on ethanolblended gasoline continued until August of 1925, when Kettering announced a new
fuel called Synthol a mixture of alcohol and gasoline that would double gas
mileage. Oil companies preferred TEL to ethanol because addition of ethanol to
gasoline would have reduced vehicle's use of gasoline by 20-30%, thus making cars
less dependable on petroleum products.
In 1923, some well-known public health and medical authorities at leading
universities, including Reid Hunt of Harvard, Yandell Henderson of Yale and Erik
8
Krause of the Institute of Technology, Postdam, and Germany wrote letters to

Midgley, expressing grave concerns over TEL and its poisonous characteristics
[12].
They chose MTBE because of its favorable blending properties and lower
cost. In California, over 95 percent of the oxygenated gasoline and reformulated
gasoline today is blended with MTBE. Also most refiners outside California use
MTBE to comply with government oxygenates requirements [13].
MTBE was first used as a gasoline additive in the U.S. in 1979, primarily as an
octane booster (3-8% by volume). Its use was infrequent and predominantly in
higher-grade (i.e. higher octane) gasolines. MTBE use was apparently most
common in New England, New Jersey and the eastern seaboard from 1979 through
the mid-1980s [14, 15].
In the late 1980s, MTBE usage for octane boosting increased steadily,
followed by its additional application in making cleaner burning gasoline in some
states.
Currently, 19 states in USA use regulatory-driven ''reformulated gasoline''
(RFG) containing MTBE up to 11% by volume. Other states use ''Oxy-fuel'' which
contains up to 15% MTBE, while even more states use MTBE as an octane booster
at up to 8% by volume [16]. In addition to varying with application (RFG, Oxyfuel, or octane booster), MTBE percentages in gasoline also vary with locale,
season, regional availability, economics, and the open market sale or trading of
gasoline and oxygenate additives. MTBE is the most popular gasoline additive used
today, with approximately 8 billion kg produced in the U.S.A. in 1997 [16].
Essentially all the MTBE produced is used in gasoline.
EPA
(U.
S.
Environmental
Protection
Agency)
attribute
marked
improvements in air quality to the use of fuels containing MTBE (2-methoxy-2methylpropane) and other oxygenates. In Los Angeles, which had the worst air
9
quality in the USA, the use of reformulated gasoline was credited with reducing
ground-level ozone by 18% during the 1996 smog season, compared to weatheradjusting data for the same period in 1994 and 1995 [17]. Therefore, MTBE
production has increased continuously during the last decade. It is used as an
octane-enhancing component and it enabled the ban of lead in gasoline. It also
enhances gasoline burning and this improves air quality in areas where car density
is high. However, leaks in gasoline storage have produced smell and contamination
of ground water in some area, particularly in California [18], where MTBE was
banned by the end of 2003. The originally planned ban at the end of 2002 was
postponed. New initiatives are required for replacement of MTBE. One option is to
transform old MTBE plants to reduce isooctane. It is made by dimerization of
isobutylene in the presence of alcohol and then hydrogenate isooctane to isooctane. The formation of azeotropes between iso-octane and alcohol is possible
[19].
Furthermore, ETBE, when compared to MTBE, has a higher octane rating
and a lower volatility and is less hydrophilic to permeate and pollute groundwater
supplies as well as being chemically more similar to hydrocarbons [19].
Ethanol can be used as such for gasoline or as a raw material for gasoline
component production. Ethanol is produced in vast amounts by fermentation.
2.6 DESCRIPTION OF OXYGENATES USED IN GASOLINE

Oxygenates are chemical compounds that contain oxygen. There are several
oxygenates that can be blended into gasoline. Oxygenates contribute to improved
combustion, thereby reducing CO and hydrocarbon emissions in motor vehicle
exhaust. Oxygenates generally have a lower volumetric energy content than
gasoline. Thus, oxygenates reduce the energy content of the gasoline blend to
10
which they are added. This reduction in the gasoline's energy content results in
about 1 to 3 percent reduction in a vehicle's fuel economy [20].
Benefits and problems associated with gasoline additives in the United States
are reviewed by Nadim et al. [21]
Stephens [22] studied the comparison of Ethanol and MTBE and their use as
additives to Gasoline. The primary objective was to investigate the different
qualities of two different oxygenate additives. His goal was to recommend if
MTBE or Ethanol would be a better additive when looking at the impacts that each
has on the environment and human health. The results aim to provide evidence of
not only the benefits of oxygenating fuel but also to determine which of the two
primary oxygenate candidates (ethanol and MTBE) should be used as the standard
additive to reformulated gasoline. He discovered from this research , ethanol seems
to be the better additive based on oxygenates dynamics regarding air and water
P
quality as well as human health.
Table (1) summarizes key properties of various oxygenates. Some of these

oxygenates can not be blended into gasoline at the present time because they are
not registered by the U.S. EPA as gasoline additives. However, at its discretion, the
U.S. EPA can register an additive based on emissions and health studies of other
similar additives which it has already registered.
11
TABLE(1)
12
2.6.1 Properties of MTBE

MTBE also known as: methyl t-butyl ether, tert-butyl methyl ether and 2methoxy-2-methylpropane.
Most MTBE is currently manufactured by a process which involves
isobutylene and methanol. Isobutylene feed for ether production is primarily
derived from steam cracking during olefin production and fluid catalytic cracking
during gasoline production. Normal butane can also be isomerized and
dehydrogenated to produce additional isobutylene feed. Methanol is produced
primarily through the synthesis of a mixture of carbon and hydrogen. The main
feed stock for methanol production is natural gas, although other light petroleum
distillates and coal can also be used. MTBE is used primarily as a gasoline additive
[13].
Using gasoline additive MTBE in forensic environmental investigations is
reviewed by Davidson and Creek [23]. The objective of this paper was to review
how MTBE data could be used when conducting forensic investigations of
subsurface gasoline spill. By carefully studying the occurrence and movement of
MTBE, it was possible to determine critical information about the gasoline spill
history at a site including the source, timing, and number of spills.
MTBE is generally blended in gasoline in volumes up to 15 percent. At a
refinery with a ether facility, MTBE and TAME are produced by mixing a
feedstock of isobutylene (alkanes and alkenes) with methanol in a controlled
optimized reaction. The quantities of MTBE and TAME produced will vary
depending on the ratio of the isobutenes and isoamylenes (2 ethyl 1 butene) in the
feed stock from the refinery. Controlling reaction temperature and optimizing the
ratio of methanol to isobutenes and isoamylenes is critical because in addition to
the reaction being reversible and controlled by equilibrium, a low temperature
favors MTBE while a higher temperature favors TAME.
13
The process is usually optimized to maximize MTBE, however production of

some TAME can not be avoided. Side reactions of isobutylenes and isoamylenes
also produce a small amount of tertiary butyl alcohol (TBA) and diisobutylene
(DIB). These by-products remain in the MTBE/TAME product, but do not
adversely affect the product since they are also acceptable gasoline components.
MTBE (CH 3 OC(CH 3 ) 3 ) is a synthetic chemical used as a blending component in
R
gasoline. It is a colorless liquid at room temperature and is flammable. MTBE is

relatively nonvolatile and has a high octane value. MTBE is soluble in gasoline
which means it disperses evenly and stays suspended without requiring physical
mixing. MTBE has a water solubility of 4.3 percent and a boiling point of 131 oF.
P
The energy content of MTBE is about 93,000 British thermal units (BTU) per
gallon.
MTBE has an octane rating of 110 which makes it particularly useful as a
gasoline octane booster because aromatic compounds such as benzene, traditionally
used to increase gasoline octane, are limited under the reformulated gasoline
regulations. These regulations required that aromatic and benzene levels of gasoline
be reduced, thus refiners have relied more heavily on oxygenates to meet the octane
requirements.
MTBE also provides good dilution of undesirable components (aromatics,
sulfur, olefin and benzene). The MTBE molecule contains 18.2 percent oxygen by
weight. The dilution effect of oxygenates, including MTBEs, is directly
proportional to the volume used in gasoline, thereby playing an important role in
meeting reformulated gasoline requirements for these compounds.
14
Blending MTBE also makes it easier for refiners to meet distillation

temperature requirements for reformulated gasoline, due to its relatively low
boiling point. MTBE depresses the distillation temperature of the gasoline blend.
The blending of 11 percent MTBE into gasoline reduces the gasolines T 50 (the
R
temperature at which 50 percent of the gasoline evaporates) by 10 to 20 F, and the

T90 (the temperature at which 90 percent of the gasoline evaporates) by 2 to 6 F.
P
The favorable properties of MTBE make it a useful blending component.

MTBE readily mixes with other gasoline components and can be readily
transported through the existing gasoline distribution system. Refiners can easily
integrate blending, shipping and, in some cases, production of MTBE into their
existing operations.
2.6.2 Properties of Ethanol
Ethanol has been used in gasoline blends (known as "gasohol") in the U.S. for
many years. The most common blends historically contained 10 volume percent
ethanol. Ethanol can also be used as pure ethanol (E100) and as a blend of 85
volume percent ethanol mixed with15 volume percent gasoline (E85). Ethanol used
in the U.S. is produced domestically primarily from corn. There is ongoing research
to commercialize production of ethanol from other crops, as well as from cellulosic
materials such as wood or paper wastes. Since ethanol is produced from plants that
harness sunlight, ethanol is also considered a renewable fuel.
Currently, nearly a billion gallons of ethanol per year are added to U.S.
gasoline stocks to create gasohol, a 90 percent gasoline/10 percent ethanol [24].
In looking to ethanol use as an aid to reducing automotive air pollution, the
sought-after benefits are quite different for blends and neat ethanol use. The
addition of small quantities of ethanol to gasoline as in gasohol is viewed primarily
as a means to reduce carbon monoxide emissions; use of neat ethanol is viewed
15
primarily as a means to reduce concentrations of urban ozone, by reducing the

reactivity of the organic component of vehicle emissions [24].
Ethanol is made by the fermentation of sugars. More than half of industrial
ethanol is still made by this process. The ethanol produced by fermentation ranges
in concentration from a few percent up to about 14 percent. Ethanol is normally
concentrated by distillation of aqueous solutions, but the composition of the vapor
from aqueous ethanol is 96 percent ethanol and four percent water. Commercial
ethanol typically contains 95 percent by volume ethanol and five percent water.
Most industrial ethanol is denatured to prevent its use as a beverage. Denatured
ethanol contains small amounts, 1 or 2 percent each, of several different unpleasant
or poisonous substances [13].
Ethanol as lead replacement was proposed by Thomas and Kwong [25].
When lead is phased out of gasoline in Africa, the rising cost of lead additives and
of gasoline, and the falling cost of ethanol and sugarcane, have created favorable
economic condition for fuel ethanol production. Lead additives are used in
gasoline because they have been the cheapest source of octane. The most common
ways to eliminate the need for lead additives have been to upgrade refineries to
increase production of aromatic and alkylated hydrocarbons, or to use the additive
MTBE.
Ethanol is an alcohol, a group of chemical compounds whose molecules
contain a hydroxyl group, -OH, bonded to a carbon atom. Ethanol (CH 3 CH 2 OH) is
R
a clear, colorless liquid with a characteristic agreeable odor. Ethanol is miscible

(mixable) in all proportions with water and with most organic solvents. Ethanol has
a boiling point of 173 oF and an energy content of 76,000 BTU per gallon [13].
P
16

Ethanol has an octane rating of 115 and a blending RVP of 18. Ethanols
blending RVP is significantly higher than most of the ethers, including MTBE. The
ethanol molecule contains 34.8 percent oxygen by weight, almost twice as much as
MTBE. Thus, ethanol will provide less dilution than the other oxygenates when
blended at the same oxygen level.
The use of ethanol presents some blending and distribution-related problems
not seen with MTBE and the other ethers. Ethanol has a high affinity for water. If a
gasoline containing ethanol comes into contact with water, the water and ethanol
will combine into a separate phase and separate from the gasoline. Because of the
potential for phase separation, ethanol and gasoline containing ethanol are not
transported through pipelines where there is a possibility of water being present.
Therefore, when ethanol is blended into gasoline, the blending must be done at the
terminals. Terminals in California are not currently equipped to handle large
amounts of ethanol blending. A further complication is that most ethanol is
currently produced in the Midwest which adds additional costs to import it into
California.
Another important limitation to the use of ethanol in gasoline, specifically
during the summer months, is its effect on the RVP of gasoline. Ethanol will
increase the RVP of the blend by about 1 pound per square inch (psi) at the
required levels. Prior to the introduction of reformulated gasoline, ethanol blends
had been granted a 1 psi RVP allowance. The federal government does not provide
ethanol blends an RVP allowance where reformulated gasoline is required.
California also does not provide an RVP allowance for ethanol blends since the
Introduction of cleaner-burning gasoline [13].
17
2.6.3 Other Oxygenates

The process for producing ETBE is similar to that of MTBE. The refinery
feedstock is combined with ethanol in a controlled and optimized ratio to
isobutylene in a catalytic reaction. Side reactions of the ETBE process will produce
small amounts of TBA, DIB, and diethyl ether. Because of the azeotropic
properties of ethanol, the ETBE system differs markedly from that used for
MTBE/TAME. Significant amount of ethanol is present in the affluent from the
reactor which must be further fractionated to produce high purity ETBE.
ETBE and TAME are similar to MTBE in terms of the benefits they provide.
ETBE has a slightly higher and TAME slightly lower octane rating than MTBE.
Both ETBE and TAME have significantly lower blending RVP than MTBE.
However, ETBE and TAME provide less T 50 depression benefits than MTBE and
R
as a result they provide less flexibility to refiners in meeting the cleaner-burning

gasoline requirement for T 50 .
R
Tertiary butyl alcohol (TBA) has an octane rating of about 100, about 10
numbers less than MTBE but still higher than most gasoline blending components.
However, TBA, like ethanol, increases the volatility of gasoline or its tendency to
evaporate, so that the mixture of gasoline and TBA will not comply with
reformulated gasoline specifications for gasoline volatility, unless steps are taken to
adjust the volatility of the blend [13].
2.6.3.1 2-methyl-2-propanol
Also known as: t-butyl alcohol; 1,1-Dimethylethanol; Trimethylcarbinol; 2Methylpropan-2-ol; tert-Butanol; TBA; t-butyl hydroxide; trimethyl methanol;
Dimethylethanol; Methyl-2-propanol; tertiary-butyl alcohol .
18
tert-Butyl alcohol is used as a solvent, as a denaturant for ethanol, as an

0T
0T
ingredient in paint removers, as an octane booster for gasoline, as an oxygenate

0T
0T
0T
0T
0T
0T
0T
0T
gasoline additive, and as an intermediate in the synthesis of other chemical

0T
0T
commodities such as flavors and perfumes .

Tert-butyl alcohol (TBA) is a clear, noncorrosive liquid. It is miscible with
water as well as most common organic solvents and forms azeotrope. The
satirically hindered tertiary butyl group imparts stability compared to primary and
secondary alcohols. In result, the solubility and oxidative stability characteristics
provide many industrial applications as a reaction and process solvent and chemical
intermediate. It is used as a non-reactive solvent for chemical reactions, a nonsurfactant compatibilizer for many solvent blends, and a non-corrosive solvent. It is
used in free radical polymerizations to dissolve monomers. TBA is the main raw
material of tert-butyl functional group in organic synthesis. It is used as a coupling
aid for formulating pesticides and fertilizers in aqueous solutions without
generating an emulsion. TBA was used as a fuel additive for high octane
component to replace tetraethyl lead. TBA is used as a reaction solvent as well as
an intermediate for the product of organic peroxides, metal alkoxides. Tert-butyl
group is readily cleaved under strongly acidic conditions. TBA is a source to
produce alkylated aromatic and nitrogen compounds in mid acidic conditions.
Dehydration reaction of TBA yields isobutylene which is the main raw material of
MTBE, the mostly used fuel oxygenates.
2.7 ENVIRONMENTAL IMPACTS OF USING OXYGENATES

IN GASOLINE
The primary emission benefits of oxygenate use in gasoline is a reduction in
CO and hydrocarbon emissions from motor vehicles. Also, as reformulated
19
gasoline regulations have required the reduction of aromatic and benzene levels in
gasoline, oxygenates have played an important role in reducing these toxic
compounds. Although the use of oxygenates reduces the overall toxicity of vehicle
emissions, there are some potential adverse effects from the oxygenates
themselves.
By the late 1970s, lead emissions from automobiles were recognized as a
serious problem, and so a new class of octane-boosting additives emerged: alcohols
and ethers. Alcohol and ether additives provide several benefits including higher
octane, favorable cost-effectiveness, and lower air pollution emissions (by adding
oxygen to the gasoline). . Because of their physicochemical properties, these
``oxygenate'' additives move somewhat differently than other gasoline compounds
when spilled into the subsurface [26, 27, 28].
2.8 Methods of Calculation of Vapor-Liquid Equilibria by

Means of an Equation of State and Activity Coefficient
Models
The calculations of thermodynamic properties (especially vapor-liquid
equilibria) of mixture have been investigated by many authors using different
approaches.
The main procedure to improve the results obtained from EOS is to improve
the mixing rules. They generally give satisfactory results, but suffer from a
common weakness: they fail to describe asymmetric, mixture, namely mixture
constituted by molecules differing very much in size and shape, but especially in
intermolecular energy. As a consequence the parameters in the combining rules
lose their physical significance. To overcome these problems, many researchers
have turned their attention toward development of new mixing rules. All these
20
attempts can be roughly classified in two categories empirical mixing rules and
statistical mechanics mixing rules [29].
Gibbs energy models, such as NRTL and UNIQUAC have typically been
used to correlate the VLE of ethanol with hydrocarbons [30]. As these models
require binary interaction parameter for each pair, their use can be problematic in
modeling mixtures with a large number of components, such as gasoline.
Therefore, various versions of the UNIFAC group contribution approach have been
used in most studies of ethanol-gasoline volatility. However, the accuracy of
UNIFAC predictions for ethanol-gasoline volatility remains a concern [31, 32].
Phase equilibria of ethanol fuel blends studied by French and Malone [30]
illustrate the impact of ethanol used on the transportation fuel industry. They used
thermodynamics as a unifying
theme to understand these phenomena and they
reviewed available data and the state of the-art in modeling these effects.
Isobaric vapor-liquid equilibria were measured by Hiaki et al. [3] for 2Methoxy-2-methylpropane +Ethanol +Octane ternary system and for the
constituent binary systems MTBE+ Ethanol and MTBE +Octane at 101.3KPa. the
measurements were made in an equilibrium still with circulation of both the vapor
and liquid phases. The experimental data of binary system were correlated with the
nonrandom two liquid (NRTL) equations. The NRTL equation yields a good
prediction of activity coefficients for the ternary system from the parameter of
correlated binary systems.
VaporLiquid equilibrium of binary mixtures Ethanol + 1-Butanol, Ethanol +
Octane, and 1-Butanol + Octane was calculated by Hull et al. [2]. The activity
coefficients of these binary mixtures were determined at temperatures of (308.15,
313.15, and 318.15) K. the determination of the vapor phase composition at
equilibrium was carried out using headspace gas chromatography analysis.
Multiple headspace extraction was used to calibrate the headspace gas
21
chromatograph. Composition of the phase diagrams produced using standard

Legendre orthogonal polynomial techniques with phase diagrams from the
literature showed good agreement. The composition of the azeotropes was reported,
where applicable.
Hull et al. [33] measured the vapor-liquid equilibrium of binary mixtures.
Ethanol + 2,2,4-Trimethylpentane, 1-Butanol+2,2,4-Trimethylpentane, and ethanol
+ o-Xylene. The activity coefficients of these binary mixtures were determined at
temperatures of (308.15, 313.15, and 318.15) K. the molar Gibbs energy of mixing
is reported for all mixtures studied. The infinite dilution activity coefficients are
reported for all components of all mixtures. Some thermodynamic models (those of
Wilson, NRTL,and UNIQUAC) have been compared with regard to their suitability
for modeling the experimental data.
Menezes at el. [34] proposed an azeotropic ETBE/ethanol mixture as possible
oxygenated additives for the formulation of eurosuper-type gasolines. Two
eurosuper gasolines with different chemical compositions and well defined
characteristics of density, volatility and octane numbers were used.
In spite of the success of some researchers in describing mixtures of real
fluids, the rigorous statistical mechanics treatment of complex systems for which
excess Gibbes free energy (GE) models have customarily been used is not near. On
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the other hand, empiricism should be introduced at some point in the development.
This theoretical approach, however, will be very useful in developing more
theoretically based functional relationship for treatment of real fluids [29].
Park and Lee [35] reported the isothermal vapor-liquid equilibrium (VLE)
data, the excess molar enthalpy (hE) and the excess molar volume (VE) of binary
P
liquid mixtures of methyl tert-butyl ether (MTBE) with methanol and ethanol. The
VLE data were measured at 313.15 K. The experimental data were correlated with
some GE models or empirical polynomial.
P
22
Hiaki at el. [36] measured isobaric vapor liquid equilibrium (VLE) for two
binary systems of 1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxy)ethane+2-methyl-2propanol and pentane+1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane system at
101.3 KPa. The measurements were made in an equilibrium still, with circulation
of both the vapor and liquid phases. The binary isobaric systems exhibit minimum
boiling azeotropes. The thermodynamic consistencies of the experimental data
were good by the Van Ness et al. and Herington methods. The experimental data
for the binary systems investigated were correlated with activity coefficient
equations. The nonrandom two-liquid (NRTL) equation yielded a good correlation
of activity coefficients.
Isobaric vapor-liquid equilibrium (VLE) of four binary systems methyl
tertiary butyl ether (MTBE) +methanol, MTBE +heptane, MTBE +octane and
MTBE +i-octane were measured by Watanabe at el. [37] at atmospheric pressure.
The VLE of a ternary system, MTBE +methanol + heptane, were also measured at
atmospheric pressure. These VLE data were predicted by ASOG and correlated by
Wilson equation, and the prediction and correlation performances were discussed.
Watanabe at el. [38] measured the isobaric vapor-liquid equilibria (VLE) of
two ternary systems (methyl tertiary butyl ether + methanol + octane and methyl
tertiary butyl ether + methanol + i-octane) at atmospheric pressure by using a
modified Othmer-type circulation apparatus.
The VLE data of these ternary
systems can be predicted by Wilson equation with the parameters determined by

VLE data of constituent binary systems.
Consistent vapor-liquid equilibrium data for the binary systems ethyl 1,1dimethylethyl ether (ETBE) + 2,2,4-trimethylpentane and ethyl 1,1- dimethylethyl
ether +octane at 94 kPa, including pure component vapor pressures of 2,2,4trimethylpentane and octane, have been experimentally determined by Wisniak at
el. [39]. The measured systems deviate slightly from ideal behavior, can be
23
described as symmetric regular solutions and present no azeotropes. Russinyol at

el. [40] reported The consistent vaporliquid equilibrium (VLE) data for the ternary
systems 3-methylpentane + ethanol + methylcyclohexane and ethanol + tert-butyl
alcohol (TBA) + methylcyclohexane at 101.3 kPa. The VLE data have been
correlated by Wilson, UNIQUAC and NRTL equations. The ternary systems do not
present azeotrope and are well predicted from binary interaction parameters.
Abu Al-Rub and Datta [41] measured the isobaric vapor-liquid equilibrium
(VLE) using the modified Othmer circulation still for the 2-methoxy-2methylpropane (MTBE)-ethanol mixtures at 90.0 and 101.3 kPa. Such oxygenate
mixtures are being considered for use as octane enhancers in gasoline. The
experimental data showed that at 101.3 kPa, this system has an azeotropic point at
95.02 mol% MTBE and 328.06 K. Reducing the pressure to 90.0 kPa did not result
in a significant alteration of the VLE of this system. the experimental data were
correlated to the Wilson and the NRTL models. The parameters obtained for these
models were used to calculate the bubble point temperature and the vapor phase
composition. The calculated data are in a good agreement with the experimental
results.
New consistent vaporliquid equilibrium (VLE) data for the binary system
methyl 1,1-dimethylpropyl ether (TAME)+2,2,4-trimethylpentane (isooctane) and
the ternary system 2-methyl-2-propanol (TBA)+methyl 1,1-dimethylpropyl ether
(TAME)+2,2,4-trimethylpentane (isooctane) are reported by Loras at el. [42] at
101.3 kPa. In the binary system, the results indicate a positive deviation from
ideality and no azeotrope is present. The ternary system presents a saddle point
azeotrope that can be predicted from binary data. The activity coefficients and
boiling points of the solutions were correlated with their composition by Wilson,
UNIQUAC and NRTL equations.
24
Vaporliquid equilibrium (VLE) data were reported by Aucejo at el. [43] for
the binary systems, 2-methylpentane+ethanol and 2-methylpentane+2-methyl-2propanol (TBA), at 101.3 kPa, including pure component vapor pressures. The
systems deviate remarkably from ideal behaviour presenting one positive
azeotrope. The activity coefficients and boiling points of the solutions were
correlated with its composition by Wilson, UNIQUAC, and NRTL equations.
Vapor-Liquid Equilibria of the Blended Octane Enhancers in a Gasoline
Hydrocarbon studied by Chen Ku [44] illustrated the fuel oxygenates such as ethers
and alkanols which are frequently added to reformulated gasoline to improve the
octane rating and decrease air pollution. The blended octane enhances considered
are acetone + ethanol and acetone + diisopropyl ether, and gasoline hydrocarbon is
2,2,4- trimethylpentane (isooctane). The vapor-liquid equilibrium (VLE) was
measured at 101.3 kPa for five binary systems (T=329~372K) and two ternary
systems (T=329~360K) formed by acetone, ethanol, diisopropyl ether, and 2,2,4trimethyl pentane (isooctane). The activity coefficients of binary and ternary liquid
mixtures were calculated by both the equation with fugacity coefficients and the
equation based on modified Raoults law. The fugacity coefficients were calculated
according to the SRK equation of state. Minimum boiling azeotropes were
exhibited in three binary systems of acetone + 2,2,4-trimethylpentane, diisopropyl
ether + ethanol, and ethanol + 2,2,4-trimethylpentane. Azeotropic behavior was
not found for the ternary mixtures. The thermodynamic consistency of binary
systems was treated by the point test, area test, and infinite dilution test from
Kojima et al., and the direct test from Van Ness. The thermodynamic consistency
of the ternary data was tested by a modified McDermott-Ellis method. The activity
coefficients of binary systems were correlated by using the Wilson, NRTL, and
UNIQUAC models. The models with their best-fitted parameters were used to
25
predict the ternary vapor-liquid equilibrium. The excess molar Gibbs free energy,
equilibrium boiling temperature deviation, and vapor-phase composition deviation
of binary mixtures were correlated by using the Redlich-Kister equation.
Hiaki at el. [45] measured isothermal vapor-liquid equilibria for
ethanol+octane at 343.15 K and 1-propanol+octane at 358.15 K. The measurements
were made in a still with the aid of a computer for control of the temperature and
measurement of the total pressure. The results were best correlated with the Wilson
equation for the system of ethanol+octane and with the nonrandom two-liquid
(NRTL) equations for the 1-propanol+octane system
Aucejo at el. [46] reported the consistent vaporliquid equilibrium data for
the binary and ternary systems ethanol+2-methyl-2-propanol (TBA) and 2methylpentane+ethanol+TBA at 101.3 kPa. In the binary system, the results
indicate a negative deviation from ideality and no azeotrope is present. The ternary
system shows negative and positive deviations from ideality, does not present
azeotrope, and is well predicted from binary data. The activity coefficients and
boiling points of the solutions were correlated with its composition by using
Wilson, UNIQUAC and NRTL equations.
Vaporliquid equilibrium of octane-enhancing additives in gasolines were
studied by Alonso at el. [47] who reported the experimental isothermal Px data at
T=313.15 K for the binary systems 1,1-dimethylethyl methyl ether (MTBE)+nhexane and methanol+n-hexane, and the ternary system MTBE+methanol+nhexane. Wilson, NRTL and UNIQUAC models have been applied successfully to
both the binary and the ternary systems. Moreover, they compare the experimental
results for these binary mixtures to the prediction of the UNIFAC (Dortmund)
model. Experimental results have been compared to predictions for the ternary
26
system obtained from the Wilson, NRTL, UNIQUAC and UNIFAC models; for the
ternary system, the UNIFAC predictions seem poor. The presence of azeotropes in
the binary systems has been studied.
A total pressure measurement approach leading to pTz data is presented by
Pokki at el. [48] who determined isothermal vapourliquid equilibria for five
binary systems 1-butene+methanol, + ethanol, + 2-propanol, + 2-butanol and + 2methyl-2-propanol at 326 K. Error analysis of the measured results has been
presented. All systems exhibit positive deviation from Raoults law and 1butene+methanol showed azeotropic behaviour.
Fischer and Gmehling [6] give a comparison of several mixing rules in the
Soave-Redlich-Kwong EoS based on predictive GE models. Their results for nine
P
systems with a great variety of substances divide the methods in to two groups:
older data with ~3.5% error in pressure and ~2% error in vapor mole fraction, and
new data with ~2.5% error in P and 1% error in y 1 .
R
27
CHAPTER THREE: THE THEORY
CHAPTER THREE
THE THEORY
3.1 Phase Equilibrium

The term phase equilibrium implies a condition of equilibrium between
two or more phases. By equilibrium we mean no tendency toward change with
time; the term phase denotes any quantity of matter that is either
homogeneous throughout or contains no discontinuity of properties within the
space it occupies. The term homogeneous is intended to include portions of
material that may have been physically separated from one another but are
identical in properties and composition; the alternate specification of no
discontinuity of properties throughout allows us to consider as a phase a portion
of matter that is undergoing a dynamic change with property gradients existing
within it but having no boundary across whose properties are discontinuous. In
certain applications it is also convenient to consider physically separated regions
of material, each of which has similar property values and gradients as a single
phase.
The term Vapor-Liquid Equilibrium (VLE) refers to systems in which a
single liquid phase is in equilibrium with its vapor, schematic diagram of the
vapor-liquid equilibrium is illustrated in Figure 3.1. In studies of phase
equilibrium, however, the phase containing gradients is not considered.
Wherever gradients exist there is a tendency for change with time; hence there is
no equilibrium. On the other hand, there can be two or more phases, each of
which is homogenous throughout, with no tendency for any change in properties
with time, even though the phases are in intimate physical contact with one
another. The latter is the condition that we denote by the term phase
28
equilibrium. In a condition of phase equilibrium there are some properties that

are drastically different between the phases and others that must be identical for
all phases to prevent a change in properties within individual phases from
occurring [49]. The thermodynamic equilibrium determines how components in
a mixture are distributed between phases.
liquid
vapor
Figure 3.1 Schematic diagram illustrating the vapor-liquid equilibrium of binary

system.
3.2 Equation of State

Equations of state are widely used in the prediction of thermodynamic
properties of pure fluids and fluid mixtures, in part because they provide a
thermodynamically consistent route to the configurational properties of both
gaseous and liquid phases. Consequently, equation of state method may be used
to determine phase equilibrium conditions as well as other properties. Many
equations of state have been proposed in the technical literature, but almost all
of them are essentially empirical in nature. A few (e.g. the equation of Van der
Waals) have at least some theoretical basis, but all empirical equations of state
for a pure gas have at best only approximate physical significance. It is very
difficult (and frequently impossible) to justify mixing rules for expressing the
constants of the mixture in terms of the constants of the pure components which
comprise the mixture. As a result, such relationship introduces further arbitrary
empirical equation of state; one set of mixing rules may work for one or several
mixtures but work poorly for others.
The term equation of state is used to describe an empirically-derived
function which provides a relation between pressure, density, temperature and
(for a mixture) composition, such a relation provides a prescription for the
29
calculation of all of the configurational and residual thermodynamic properties

of the system within some domain of applicability. The functional form of most
equations of state has been arrived at by combining some semi-rigorous
theoretical analysis of molecular interactions with a parameterization that
permits satisfactory reproduction of certain experimental data such as vapor
pressures and compression factors. Among all types of equation of state, the
most popular class is formed by the so-called cubic equation of state so named
because, although usually written in pressure-explicit form (P is given by a
polynomial in 1/V with temperature and composition dependent coefficients)
[50].
P = P (T, V)
(3.1)
When solved with respect to volume they give rise to a cubic equation,
which can be solved by fast and accurate method, with no ambiguity in the
choice of the roots, so avoiding one of the main problems posed by other, more
complex equations of state.
There are two common types of equations of state: one of these expresses
the volume as a function of the temperature, pressure, and mole numbers
(volume-explicit equation) while the other expresses the pressure as a function
of the temperature, volume, and mole numbers (pressure-explicit equation). The
latter form is more common but, since pressure (rather than volume) is a
preferred independent variable, it is more convenient, whenever possible, to use
a volume-explicit equation of state.
The oldest, simplest and best known cubic equation of state is that
conceived by Van der Waals in the 19th century, his equation accounts for two
P
effects:
1.
The volume of the molecules reduces the amount of free volume in the
fluid, and therefore the molar volume the fluid is V b.
30
2.
The attraction of the molecules produces an additional pressure The

pressure of the fluid is therefore corrected by a term related to the attraction
parameter a of the molecules: P + a/V2
P
The resulting equation is:
a
P = RT 2
V b V
(3.2)
Here P is the pressure, T the temperature and V the molar volume. In this
equation, the first term on second member expresses (in a somewhat simplified
form) the effect of repulsion between molecules, assimilated to hard spheres,
while the second term expresses the attraction forces due to the Van der Waals
forces. After some manipulation one can show that this equation is cubic in the
volume. This property is the minimum requirement for an equation that shall
exhibit phase separation. It should be mentioned that the van der Waals equation
is not accurate but is historically important and useful for qualitative
investigations. Today there are hundreds of different equations of state out there
which have been developed theoretically or empirically for lots of substances or
substance classes.
The traditional way of calculating phase equilibria features the use of
activity coefficient model to describe liquid-phase non-idealities and an equation
of state to describe vapor phase non-idealities. This method has proven to be
accurate in the low-to moderate pressure regions and thus can be used to
represent highly non-ideal systems. However, activity coefficient models have
some limitations. Difficulties and inaccuracies arise when calculating highpressure equilibria and equilibria for mixtures that contain supercritical
compounds. In addition, the number of parameters used in the activity
coefficient models ranges from two to four parameters per binary, a
characteristic that leads to errors when extrapolating experimental data. Cubic
equations of state do not inherently suffer from these limitations. They present a
31
simple, robust, and computationally economical method of correlating phase

equilibria for hydrocarbons and slightly polar systems. Their only limitation lies
in the prediction of phase equilibria for polar and highly polar mixtures. Much
research has been aimed at overcoming this deficiency through the development
of new mixing rules.
With the development of computers, the equation of state route for
calculation of phase equilibria proved a powerful tool, thus great impulse was
given to the development of new, accurate equation of state. The use of a single
equation of state to reproduce the thermodynamic properties of both pure
compounds and mixture (in vapor or liquid phase) has been one of the most
elusive research goals of thermodynamicists for over a century.
3.2.1 Properties from Equation of State

A fundamental equation of state may be used to obtain all of the
thermodynamic properties of the fluid. The more usual P-V-T equation of state
permits calculation of all configurational and residual thermodynamic properties
of the fluid within that equation domain of applicability.
3.2.1.1 Fugacity and Fugacity Coefficients

When two or more phases are at equilibrium in direct contact across an
interface, the potentials for change must be zero. This means that there is no
tendency for mass or energy to cross the boundary, thus any transport of
material or energy from one phase to the other will be a reversible process. It is
evident that in order for a condition of equilibrium to exist the temperature of
the phases must be the same, otherwise an irreversible flow of heat will occur. It
is also evident that, if the phases are in direct contact with one another, the
pressure must be the same in all phases; otherwise the force imbalance would
tend to compress one phase and expand the other, with a net irreversible
exchange of energy. These two conditions are not sufficient to ensure phase
32
equilibrium, however, and the remaining conditions required are not quite so
self-evident. The classic work of Gibbs defined the remaining conditions that
ensure equilibrium between phases; his thermodynamic treatment is based on
the concept of the chemical potential. Two phases are in thermodynamic
equilibrium when the temperature of one phase is equal to that of the other and
when the chemical potential of each component present is the same in both
phases. For engineering purposes, the chemical potential is an awkward
quantity, devoid of any immediate sense of physical reality. Lewis [49] showed
that a physically more meaningful quantity, equivalent to the chemical potential,
could be obtained by a simple transformation, the result of this transformation is
a quantity called the fugacity, which has units of pressure. Physically, it is
convenient to think of the fugacity as a thermodynamic pressure since, in a
mixture of ideal gases, the fugacity ( f ) of each component is equal to its partial
pressure. In real mixture, the fugacity can be considered as a partial pressure,
corrected for nonideal behavior.
ig
=P
(3.3)
where f ig is the fugacity of ideal gas

P
For a vapor phase (superscript V) and a liquid phase (superscript L), at the
same temperature, the equation of equilibrium for each component i is expressed
in term of the fugacity ( f i ):
R
fi
fi
(3.4)
This equation is of little practical use unless the fugacity can be related to
the experimentally accessible quantities x, y, T, and P, where x stands for the
composition (expressed in mole fraction) of the liquid phase, y for the
composition (also expressed in mole fraction) of the vapor phase, T for the
absolute temperature, and P for the total pressure, assumed to be the same for
33
both phases. The desired relationship between fugacities and experimentally

accessible quantities is facilitated by auxiliary function, which is the fugacity
coefficient () [49].
The ratio of fugacity to pressure is known as fugacity coefficient, and it is
a dimensionless ratio [4].
f
P
(3.5)
For the vapor phase the fugacity coefficient i relates the vapor-phase
R
fugacity f i V to the mole fraction y i and to the total pressure P. it is defined by:
R
RP
i =
fi
yi P
(3.6)
A rigorous relation exists between the fugacity coefficient of a component

in a phase and the volumetric properties of that phase; these properties are
conveniently expressed in the form of an equation of state. In order to obtain
fugacity coefficient by using an EOS the following expression is used:
ln i = 1
RT
n i
T , V , n
ji
RT dV ln z
V
(3.7)
where n i is the number of moles of component i [50].

R
A component in a mixture exhibits nonideal behavior as a result of

molecular interactions, only when these interactions are very weak or very
infrequent is ideal behavior approached. The fugacity coefficient i is a
R
measure of nonideality and the departure of i from unity is a measure of the

R
extent to which a molecule i interacts with its neighbors. The fugacity
34
coefficient depends on pressure, temperature, and composition, this dependence,

in the moderate pressure region is usually as follows:
a. At constant temperature and composition, an increase in pressure almost
always causes i to depart further from unity, usually in the direction
R
i <1.
R
b. At constant pressure and composition, an increase in temperature almost

always causes i to become nearer to unity.
R
c. At constant pressure and temperature, the effect of composition on i is

R
strongest when the composition is small. If the composition is near unity, a

change in composition has relatively little effect on i . However, it does
R
not necessarily follow that i comes closer to unity as the composition

R
increases. In fact for a very heavy component i mixed with a very light
component j, it frequently happens that i is nearer to unity for small
R
amount of component i than it is for small amount of component j.

At constant pressure, temperature, and composition, the effect of a molecule j
on i is most pronounced whenever j is chemically very much different from i.
R
In polar mixtures, where specific interactions like hydrogen bonding may occur,
the effect of composition may be very large. Since in some cases the error
introduced by neglecting vapor or liquid phase nonideality is quite appreciable,
and since the computer can easily takes such nonideality into account, it is
recommended that vapor and liquid fugacity coefficients should always be
included in vapor-liquid equilibrium calculations.
3.2.2 Redlich - Kwong Equation of State (RK EOS)

At the time of its introduction, (Redlich-Kwong, 1949), this equation was
considered to be a considerable improvement over available equations of
relatively simple ones. In his book published in 1978, Redlich states there was
35
no particular theoretical basis for the equation; rather it is to be regarded as an

effective empirical modification of its predecessors.
The full form of the Redlich-Kwong equation of state is given in Table
3.1 together with relations for all parameters involved. The mixture combining
rules shown here are the conventional ones discussed above in connection with
Van der Waals equation but now incorporating binary interaction parameters in
the attractive term.
About 110 modifications to the Redlich-Kwong equation have been
proposed to date including the widely used equation of Soave (henceforth called
the SRK equation) which will be discussed in the next section. Although a great
improvement over Van der Waals equation, the basic Redlich-Kwong equation
gives useful results for only a few rather simple fluids. This is because the
parameters of the equation are based entirely on the two critical constant T C and
R
P C and do not incorporate the acentric factor, as well as the critical

R
compressibility factor (Z C ) of RK-EOS is constant and its value equal 1/3 for all
R
fluids. Because of this shortcoming, the RK equation is inaccurate around

critical region [50].
Table (3.1) Redlich-Kwong Equation of State
a T
P = RT V (V +b)
V b
3
Z Z
(A B B)Z AB = 0
2
A=
Where
x x
i
B=
(3.8)
x B
i
j 1 k ij
(3.9)
Ai A j
(3.10)
(3.11)
36
a=
x x
i
b=
j 1 k ij
(3.12)
ai a j
x b
(3.13)
i i
and
Ai = 0.42748
a i = 0.42748
P ri
B i = 0.08664
2.5
T ri
T
C
i
P Ci
P ri
T ri
(3.14)
2.5
RT Ci
bi = 0.08664
P Ci
(3.15)
Note: k ii =0
R
3.2.3 Soave Redlich - Kwong Equation of State (SRK

EOS)
Soave defined which is made the parameter (a) function of reduced
temperature (T r ) and acentric factor () [i.e., =f (T r , )] to overcome the
R
difficulty of inability of equations of state to represent the entire fluid range

which prevents their use for the vapor-liquid equilibria calculations.
Soave calculated the values of at a series of temperature of a number of
pure hydrocarbons, using the equality of vapor and liquid fugacities along the
saturation curve. The fugacity of each component in a mixture is identical in all
phases at equilibrium. This is equally true for a single component system having
vapor and liquid phases at equilibrium. In this case,
L
fi
fi
(3.4)
This equation is valid at any point on the saturation curve, where the
vapor and liquid coexist in equilibrium.
37
Soave calculates the values of over a temperature range of T r =0.4 to

R
1.5 for a number of light hydrocarbons and found that 0.5 was linear function of
P
T r 0.5 with a negative slope for each fluid studied. It is represented by the
R
RP
following equation:
0.5
= c m T r
0.5
(3.16)
Because =1.0at T r =1.0, so, Eq.(3.16) may be written as follows:

R
0.5
= 1 + m 1T r
0.5
(3.17)
To obtain the value of m, it is calculated at T r = 0.7 since is calculated

R
at T r = 0.7 from definitions.

R
=
m
Tr = 0.7
0.5
(1 0.7)0.5
(3.18)
In this manner the values of m are calculated for a series of values from
0 to 0.5 with an interval of 0.05 and then correlated as a quadratic function of ,
as follows:
m = 0.48506 +1.55171 0.15613
(3.19)
Soave replaced a/T0.5 by a(T) so, that the equation of state becomes:
P
a (T )
P = RT V (V +b)
V b
(3.20)
Eq.(3.20) in polynomial form in Z factor will thus be

3
2
2
Z (1 B ) Z + (A B B )Z AB = 0
(3.21)
The compressibility factor (Z) is determined from the cubic equation of

state by solving it with iterative procedure using Newton-Raphson method. One
38
or three real roots can be obtained; in the late case, the smallest root will be
taken for a liquid phase and the highest one for a vapor phase [51].
3.2.3.1 SRK-EOS Parameters

Soave predicates a new method for determining the new equation
parameters, as follows:
=
i 1 + mi 1
T ri
(3.17)
mi = 0.48508 +1.55171 i 0.15613 i
Ai = 0.42747 i
a i = 0.42747
P ri
B i = 0.08664
T ri
RT
C
i
(3.19)
P ri
T ri
(3.22)
RT Ci
bi = 0.08664
P Ci
P Ci
(3.23)
3.2.3.2 SRK-EOS Mixing Rules

In order to extend the application of SRK-EOS to mixtures,
A=
x x
i
B=
j 1 k ij
Ai A j
(3.24)
x B
i
(3.25)
a =
x x
i

1 k ij (a i i)(a j j )
39
(3.26)
b=
x b
(3.27)
i i
These mixing rules connect the mixture parameters to pure component

parameters and mixture composition.
Such rules are adequate for regular solutions, such as hydrocarbon
mixtures. In presence of polar component they must be improved by introducing
empirical correlation terms [52].
3.2.3.3 SRK-EOS Fugacity Coefficient
B
B
ln i = i (Z 1) ln (Z B ) + A i 2
B
B B a
(

x j 1 k ij ai i)(a j j) ln 1+ B
Z
j
(3.28)
3.2.4 Peng-Robinson Equation of State (PR EOS)

Peng-Robinson (PR) proposed an equation (henceforth called the PR
equation) of the form:
a (T )
P = RT
V b V (V + b) + b (V b)
(3.29)
Eq. (3.32) can be written as:

2
3
2
2
3
Z (1 B ) Z + (A 3B 2B )Z (AB B B ) = 0
(3.30)
Like SRK equation PR equation (Eq. (3.26)) yields one or three roots
depending upon the number of phases in the system. In the two phase region, the
largest root is for compressibility of the vapor while the smallest positive root
corresponds to that of the liquid.
In PR-EOS a is also function of , and function is:
0.5
0.5
= 1+ k 1 T r
(3.31)
where k is a constant that has been correlated against the acentric factor. The
resulting k equation is:
40
k = 0.37464 +1.54226 0.26992
(3.32)
It is interesting to note that Eq.(3.32) is similar to that obtained by Soave

for the SRK equation although Eq.(3.32) is arrived at for substance using vapor
pressure data from the normal boiling point to the critical point whereas Soave
uses only the critical point and calculates vapor pressure at T r = 0.7 based on the
R
value of a centric factor [53].

Both Soave and Peng-Robinson equations are excellent in predicting the
vapor pressure. This important capability terms from the remarkably expression
for an Eq. (3.17) for Soave modification, and Eq. (3.32) for Peng-Robinson
equation, rather than from formulation of the EOS. But the form of the EOS
does affect the predicting of molar volumes in the dense phase region, where PR
equation, although not as accurate as desired, shows a mark improvement over
the Soave equation [8].
3.2.4.1 PR-EOS Parameters

PR-EOS parameters are calculated from the following equations:
Ai = 0.45724
a i = 0.45724
P ri
2
T ri
RT
C
i
P Ci
P ri
T ri
(3.33)
RT Ci
P Ci
(3.34)
B i = 0.0778
2
bi = 0.0778
3.2.4.2 PR-EOS Mixing Rules

PR-EOS is extended in order to be applied to mixture using suitable
mixing rules, which are:
41
A=
x x
i
B=
j 1 k ij
(3.35)
Ai A j
x B
i
(3.36)
a =
x x
i
b=

1 k ij (a i i)(a j j )
(3.37)
x b
(3.38)
i i
3.2.4.3 PR-EOS Fugacity Coefficient

Fugacity coefficient for PR-EOS is obtained by substituting Eq. (3.29)
into the thermodynamic equation Eq.(3.7) and the following equation is obtained
[53]
ln i =
Bi ( ) ( ) + A Bi 2
Z 1 ln Z B
2.828B B a
B
x j 1 k ij (ai i)(a j j ) ln Z + 2.414B

Z 0.414 B
(3.39)
3.2.5 SRK and PR Equations of State Failure and

Improved Points
SRK and PR are the most successful cubic equations for phase
equilibrium calculation. The critical compressibility factor for PR equation Z c =
R
0.307 is a marked improvement over the (1/3) that is predicated by RK equation

and Soave modifications. However, the value is still far from the actual critical
compressibility factor of real fluids except for Hydrogen and Helium. This fact
forms the failure point of both Soave and Peng-Robinson equation, that is the
assumption of a particular (fixed) value of the critical compressibility factor and,
as a result, the predicted densities of the saturated liquids and the predicted
critical volumes differ considerably from their experimental values (especially
42
for substance whose critical compressibilities are significantly different from the
values assumed by these equations). The Soave equation together with that of
Peng and Robinson are today probably the two most widely used equations of
state. Because of the way in which the attractive terms have been tailored to
achieve a fit to vapor pressure data, and the incorporation of the acentric factor,
these equations usually permit VLE calculations to be made with acceptable
accuracy.
3.3 Activity Coefficient Models

In several cases, better results are obtained for properties of
vapor-liquid equilibria when the fugacity of components in the liquid
phase is estimated from an activity-coefficient mode [50].
3.3.1 Activity and Activity Coefficients

The activity i of substance i in a mixture of n components is defined by
R
the relation
i (T , P, x1 , x2 xn ) = f i (T , P, x1 , x2 xn ) / f i s (T )
... (3.40)
In which f i (T, P,x 1 , x 2 , ....x n ) is the fugacity of component i under the

R
specified conditions of temperature, pressure and composition, and f i s (T)

R
RP
is the standard-state fugacity at the given temperature. Thus
f i s = is Pi s
(3.41)
where P i s is the pressure and i s the fugacity coefficient of the pure

R
RP
RP
saturated vapor at the given temperature.

The activity is usually expressed in terms of the corresponding
activity coefficient i defined by
R
43
i =
f
i
= is
xi xi f i
(3.42)
Thus the fugacity of component i in a liquid mixture may be written
f i L = xi i is Pi s i
(3.43)
And
[(
)(
i = exp Vi L / RT P Pi s
)]
(3.44)
which is known as the Poynting factor. Frequently, the partial molar

volume (V i L) is not a function of composition and pressure and is therefore
R
RP
approximated by the atmospheric pressure.
3.4 Vapor Pressure Equations

The scientific and engineering literature contains a very large database of
experimental vapour pressures covering a vast number of compounds. For
practical purposes it is desirable to have a correlation of the data for each
substance of interest and several well-known equations have been proposed
for this purpose. By far the most well-known empirical formula for the
correlation of vapor pressure data is Antoine's equation:
ln P s = A
B
T +C
(3.45)
Values of the parameters A, B and C which appear in this equation are available
for a large number of compounds.
Antoine's equation may not entirely satisfactory over the full range of
vapor-liquid coexistence in cases where the reduced vapor pressure at the triple
point is extremely small or where it is desired to represent high quality
experimental data to within its uncertainty. More accurate formulae,
44
such the six parameter equation due to Wagner [54] have been proposed for that
purpose.
3.5 Prediction and Correlation of Vapor Liquid
Equilibrium.Data
Interpolation and extrapolation of thermodynamic data of liquid mixtures
are common necessities in chemical engineering. The model of ideal solution is
useful for providing a first approximation and a reference, but deviations from
ideality are frequently large. These deviations are expressed by excess functions,
which depend on the concentrations of the components and on temperature [4].
The most important of these is the excess Gibbs free energy because the
canonical variables for Gibbs energy are temperature and pressure. Since these
variables can be directly measured and controlled, the Gibbs energy is a
thermodynamic property of great potential [55]. Thus, when G/RT=G (T, P) are
given, all other thermodynamic properties can be evaluated by simple
mathematical operation. Excess Gibbs energy GE is defined as the difference
P
between the actual property value of solution and the value it would have as an
ideal solution, at the same temperature, pressure, and composition. Thus;
GE = G - Gid
P
(3.46)
where the superscript id denotes an ideal solution value. Activity coefficient i

R
has traditionally been calculated from correlating equations for GE/RT by

P
applying the following equation [56].
nG E / RT
ln i =
(3.47)
45
For liquid solution, GE is a weak function of pressure at low to moderate

P
pressure; therefore the pressure dependence of activity coefficient is usually

neglected. Thus, at constant temperature, GE/RT=g(x 1 , x 2 , x 3 , ).
P
Therefore, many proposed models in the literature can be used to correlate

the measured experimental data for binary, ternary, and multicomponent
systems. Among these models are NRTL , UNIQUAC , and UNIFAC .
3.5.1 Non-Random Two-Liquid (NRTL) Model

The NRTL model was developed by Renon and Prausnitz [56,57] in an
attempt to overcome the inadequacy of the Wilson equations in
describing liquid-liquid equilibria.
The NRTL model contains three parameters per binary interaction,
compared with the two parameters of the Wilson and T-K-Wilson models, but
is based on a similar local composition treatment. According to the NRTL
model, the excess Gibbs free energy is correlated by
21G21
12G12
GE
= x1 x2
+
+
+
RT
x
x
G
x
x
G
2
1 12
1 2 21
(3.48)
where
Gij = exp( ij )
And
ij = g ij / RT
(3.49)
Here g ij , and g ji denote energy parameters, while is best viewed as a

R
purely empirical parameter; all three are supposed independent of temperature.

The activity coefficients determined for a binary system from Eq.(3.48) are:
46
2
G
G12
21
+ 12
ln 1 = x 21
( x +x G
x1 + x2 G21
2 1 12
2
2
)2
(3.50)
2
G
G21
2
12
+ 21
ln 2 = x1 12
2
x2 + x1G12
(x1 + x2 G21 )
The multicomponent form of the NRTL equation is given by:
G
=
RT
x
i =1
j =1
n
ij
Gij x j
Gki xk
(3.51)
k =1
where
ji =
g ji g ii
(3.52)
RT
G ji = exp( ji ji )
(3.53)
The activity coefficient is obtained by appropriate differentiation of Eq.

(3.51):
n
x
G
ki xk Gki n
k kj kj
x
G
j
ij
k =1
ln i = k =1n
+ n
ij
n
j =1
x
G
x
G
x
G
k ki
k kj
k kj
k =1
k =1
k =1
(3.54)
where
ii = jj = 0
And
Gii = G jj = 1
(3.55)
47
3.5.2 The UNIQUAC Equations

The
UNIQUAC
(Universal
Quasi-Chemical)
equations,
were
developed by Abrams and Prausnitz [58] and are based on a semitheoretical approach to mixture problem that includes a local composition
model. It was also recognized that the non-ideality of liquid mixtures has
contributions not only from specific interactions but also from the differences
in the size and shape of the molecules Consequently, in the UNIQUAC model,
the Gibbs free energy of the mixture is correlated by the sum of two
separate terms,
GmE / RT = Gmc + Gmr / RT
(3.56)
which comprise:
- A contribution
Gc m , known as the configurational term, due to differences
PR
sizes and shapes; and

- A contribution Gr m , known as the residual term, is due to energetic
P
PR
interactions between the molecules.

Consequently, the logarithm of the activity coefficient for each component
configurational and residual contributions is:
ln i = ln ic + ln ir
(3.57)
The original formulation of the free energy terms was modified by Andersen
0T
et al. [59] who arrived at the following expressions for a binary mixture:
0T
0T
0T
48
0T

1

G mc / RT = x1 ln 1 + q1 z ln 1 + x 2 ln 2
1
x2
x1 2
1
+ q 2 z ln 2
2
2
(3.58)
Gmr / RT = x1 q1' ln 1' + 2' 21 x 2 q 2' ln 1' 12 + 2'
The quantities i , i and ' i which appear here are pure substance parameter
R
given by
xi qi'
,
=
x1 q1' + x 2 q 2'
i =
'
i
(3.59)
xi q i
,
x1 q1 + x 2 q 2
i =
xi ri
x1 r1 + x 2 r2
where r i is determined by the volume and q by the surface area of the molecule
0T
both of which may be deduced in principle from crystallographic measurements

on the pure solid. These area and volume parameters are however usually
0T
obtained by a group contribution method and tables exist [60, 61] which
permit values to be determined for a very large selection of molecules. Usually,
q' i =q i so that ' i = i but for water and alcohols modifications to q' i have been
R
made to improve agreement
with experimental results. z is a co-ordination
number to which the value 10 is usually, but not necessarily, assigned. Finally,
the model contains two adjustable binary energy parameters u 12 and u 21 that
0T
enter the residual part of the excess Gibbs free energy through the quantities 12
R
and 21 which are defined by
ij = exp( uij / RT )
(3.60)
0T
The contributions to the activity coefficient of component i which result from

this formulation are:
49
z
ln ic = ln i + ln i
xi 2 i
+ j (li ri l j / r j )
(3.61)
ln = q ln + ji
r
i
'
i
'
i
'
j
ji
ij
+ q '
'
'
+ '
i ij + j
j ji
i
' '
j i
where
li =
z
(ri qi ) (ri 1)
2
(3.62)
For multicomponent systems, the UNIQUAC equation is given as follows:

n
n
i z n
i
G E
n
= xi ln + qi xi ln qi xi ln j ji (3.63)
RT
xi 2 i =1
i i =1
i 1
i =1
The activity coefficient for component i in a mixture of n component is given

by:
ln = ln i + ln i + li i
xi
xi 2 i
c
i
x l
j =1
j j
'
n ' n j ij
r
'
ln i = qi 1 ln k ki n
k =1
j =1 '
k kj
k =1
50
(3.64)
(3.65)
ii = jj = 1 ,
Where
i =
xi ri
n
x j rj
i =
j =1
and
xi q i
n
xjq j
z=10
=
'
i
(3.66)
xi qi'
n
x j q 'j
(3.67)
j =1
j =1
The UNIQUAC model is one of the most successful two-parameter models

in use today and extensive tabulations of the pure-component and binary
parameters are available
[62].
Only
pure-component
and
binary
parameters are required for application to multi-component systems and the

model is useful in both VLE and LLE problem.
0T
3.5.3 Principle of the Group Contribution Methods

The principle of utilizing a group contribution method is that the molecules
in the solution are broken down into so-called functional groups .The number of
different functional groups is smaller than the number of different molecules. It
is assumed that the physico-chemical properties of a molecule can be obtained
as a sum of the properties of the groups. This gives us the possibility to describe
the properties of a compound using the interactions between the groups. All
group contribution methods are approximate, because the effect of one certain
group in one molecule is not necessarily exactly the same as the effect of the
same group in another molecule. The basic principle of the effect of a group
does not depend on properties of the other groups of molecules. In UNIFAC the
activity coefficient is divided into two parts. The development is heavily based
on the UNIQUAC model. In UNIQUAC the combinational part of the activity
coefficient describes the phenomena caused by size differences of the molecules
and the residual part represents the energetic interaction. In UNIFAC model the
51
combinatorial part of UNIQUAC is used, and for the residual, a model based on
the group contribution has been developed [19].
3.5.3.1 UNIFAC MODEL

The UNIquaQ Functional group Activity Coefficient (UNIFAC)model
was developed largely by Fredenslund et al.[63,64]. Its prime use is as a
prediction tool for the activity coefficient in multicomponent system where there
is insufficient data to apply a better-founded method. Application of the model
is restricted to the temperature range 273-373 K.
The model is based on the UNIQUAC equation with all pure component
and pinary parameter determined by empirical group contribution methods.
In the UNIFAC method, the configuration part of the UNIQUAC activity
coefficient, Eq. (3.64), is used directly. Only pure component properties enter in
to this equation. Parameters r i and q i are calculated as the sum of the group
R
volume and area parameter, R k and Q k :

R
ri = v k(i ) Rk
And qi =
(i )
k
Qk
(3.68)
where v k(i ) ,always an integer, is the number of group of type k in molecule i.

Group parameters R k and Q k are obtained from the Van der Waals group
R
volume and surface areas V wk and A wk :

R
Awk
Vwk
Q
=
Rk =
k
And
2.5 10 9
15.17
(3.69)
The normalization factors 15.17 and 2.5 109 are those given by Abrams and
P
Prausnitz[58].
52
The residual part of the activity coefficient, Eq.(3.65), is replaced by the

solution-of-groups concept. Instead of Eq.(3.65), we write:
v (ln
ln ir =
(i )
k
ln k( i )
(3.70)
all groups
where k , is the group residual activity coefficient and k (i) is the residual
R
RP
activity coefficient of group k in a reference solution containing only

molecules of type i. in Eq. (3.70)the term ln k (i) is necessary to attain the
R
RP
normalization that activity coefficient i becomes unity as x i

R
1. The activity
coefficient for group k in molecule i depends on the molecule i in which k is

situated.
The group activity coefficient k is found from an expression similar to
R
Eq. (3.70):
m km
ln k = Qk 1 ln m mk m
m
n km
(3.71)
Equation (3.71) also holds for In k (i). In Eq.(3.71), m is the area fraction of
0T
RP
group m, and the sums are over all different groups. m is calculated in a manner
R
similar to that for i :

R
m =
Qm X m
Qn X n
(3.72)
where X m . is the mole fraction of group m in the mixture. The group-interaction

R
parameter mn is given by
R
53
U U nn
a
mn = exp mn
= exp mn
RT
(3.73)
where U mn is a measure of the energy of interaction between groups m

R
and n. The group interaction parameters a mn (two parameter per binary mixture
R
of groups) are the parameters which must be evaluated from experimental

phase equilibrium data. Note that a mn has units of kelvins and a mn a nm.
R
3.6 Calculations with Mixing Rules Based on GE

P
Models.
The principal difficulty is that in complex systems, especially for
those with some polar and some nonpolar components, the composition
dependence of the fugacity is more complex than that given by simple mixing
rules. Activity-coefficient models are much more able to describe the
experimental behavior. When properly formulated, this procedure can give
the quadratic composition dependence of the second virial coefficient.
An important advance in the description of phase equilibria is to combine the
strengths of both EOS and activity coefficient approaches by forcing the mixing
rule of an EOS to behave with composition dependence like the GE model.
P
These are called GE mixing rules and generally include the direct use of activity
P
coefficient parameters fitted to VLE data [6].

3.6.1
Wong-Sandler mixing rules

Although the traditional Van der Waals mixing rules fail to model the
excess Gibbs energy over a wide range of pressures, their quadratic dependence
on compositions leads to a quadratic dependence of the second virial coefficient
on composition for mixtures, which is stipulated by statistical mechanics. Wong
and Sandler, in 1992 [67] derived a general form of mixing rules first by
combining the quadratic dependence of the second virial coefficient on
54
composition and the relation between the virial coefficient and the parameters in
a cubic EOS. The second equation in their mixing rules was derived by taking
the limit of the excess Helmholtz free energy for a cubic EOS mixture at infinite
pressure. The resultant mixing rules are pressure independent and satisfy the
quadratic requirement:
n
bV =
y y (b a / RT )
i =1 j =1
ij
1 n
aii G EV
yi
1
+
RT i=1 bi
C
n
b =
(3.74)
x x (b a / RT )
i =1 j =1
ij
1 n aii G EL
xi
1
+
RT i=1 bi
C
For multicomponent form the aV and aL are:

P
EV
G
aii
V
V
+ yi
a = b
bi
i
C
(3.75)
G EL
aii
a =b
+ xi
bi
i
C
L
where GEV is that excess Gibbs energy at the vapor composition and GEL is that
P
at liquid composition and C is constant.

The cross parameter of Eq. (3.74) is:
(b a / RT )12 = 1 (b1 + b2 )
2
1
(a11 a 22 )1 / 2 (1 k12 )
RT
The cross parameter for multicomponent of Eq. (3.77) is:
55
(3.76)
(b a / RT )ij
1
(bi + b j ) 1 (aii a jj )1 / 2 (1 k ij )
2
RT
(3.77)
For obtaining a value of the parameter k ij , we choose to match the GE model by

R
minimizing the objective function F,
F =
data
E
a EoS
G EL
RT
RT
(3.78)
The molar excess Helmholtz energy from the EOS aE Eos is:
P
PR
a
a
aL
= L x1 11 x 2 22
b1
b2
b
E
EoS
(3.79)
For multicomponent the molar excess Helmholtz energy from the EOS aE Eos is:
P
n
a
aL
= L xi ii
bi
b
i =1
E
EoS
1
L
na
n 2 a L
n1
(3.80)
nb L
P(V L b L ) 1
L
ln = ln
+ L Z 1
RT
b
n1
L
i
PR
1 nb L
L
T ,n2 b n1
aL
+
L
T ,n2 2 2b RT
(
(
)
)
(3.81)
V L + 1 2 bL
ln L
L
T ,n2 V + 1 + 2 b
Here all properties are those of the liquid phase ; Z L = PV L / RT is the

compressibility factor.The partial derivatives of aL and bL are
P
1 n 2 a L
n n1
nb L
n1
L nb
= RTD
n1
T , n2
=
L
T , n2 1 D
1 n 2 Q L

n n1
L nD
+ RTb
n1
Q L nD L

1
L
1 D n1
(3.82)
(3.83)
QL,DL, and their derivatives are

P
Q = xi x j (b a / RT )ij
L
(3.84)
i =1 j =1
56

n
1 GE
a
+ xi i
D =
C RT i 1 RTbi
L
1 n 2 Q L
n n1
nD L
n1
(3.85)
= 2 x 2 (b a / RT )12 + 2 x1 (b a / RT )11
T , n2
a1
1 nG E
=
+
RTb
CRT
1
n1
T , n2
3.6.2
T , n2
(3.86)
(3.87)
Peng-Robinson-Stryjek-Vera Equation of state (PRSVEOS)

The Peng-Robinson Stryjek-Vera (PRSV) [68] equation of state is a
modification of the PR equation of state that extends the application of the

original PR method for moderately non-ideal systems. It has been shown to
match vapor pressures curves of pure components and mixtures more accurately
than the PR method, especially at low vapor pressures.
The modifications to the PR equation of state by Stryjek and Vera was an
expanded alpha, , term that became a function of a centricity and an
empirical parameter, K, is used for fitting pure component vapor pressures.
= 1 + K 1 Tr
)]
(3.88)
)(
K = K + K 1 1 Tr 0.7 Tr
(3.89)
K = 0.378893 + 1.4897 0.17138 2 + 0.019655 3
(3.90)
where:
K 1 =characteristic pure component parameter
R
The PRSV equation of state can handle the same systems as the PR
equation with equivalent, or better accuracy, plus it is more suitable for handling
moderately non ideal systems.
The advantage of the PRSV equation is that not only it does have the
potential to more accurately predict the phase behavior of hydrocarbon systems,
particularly for systems composed of dissimilar components, but it can also be
57
extended to handle non-ideal systems with accuracies that rival traditional

activity coefficient models. The only compromise is increased computational
time and the additional interaction parameter that is required for the equation.
3.6.3
Using NRTL Expression
The excess Gibbs energy for binary systems is:
21G21
GE
12G12
= x1 x2
+
RT
x
x
G
x
x
G
+
+
2
1 12
1 2 21
(3.48)
The excess Gibbs energy for multicomponent systems is:

n
GE
=
RT
x
i =1
j =1
n
Gij x j
G
k =1
3.6.4
ij
ki
(3.51)
xk
Using UNIQUAC Expression
The excess Gibbs energy for binary systems is:

G E = G E (combinatorial ) + G E (residual )
(3.91)
G E (combinatorial )
z
= x1 ln 1 + x 2 ln 2 + q1 x1 ln 1 + q 2 x 2 ln 2
RT
x1
x2 2
1
2
G E (residual )
= q1 x1 ln 1' + 2' 21 q2 x2 ln 2' + 1' 12
RT
(3.92)
-the excess Gibbs energy for multicomponent systems is:

n
n
i z n
i n
GE
= xi ln + qi xi ln qi xi ln j ji
i i=1
RT i 1
xi 2 i =1
i =1
58
(3.63)
u ij
RT
(3.60)
z
(ri qi ) (ri 1)
2
(3.62)
ij = exp
li =
ii = jj = 1
i =
xi ri
,
x j rj
And
z=10
i =
xi q i
n
xjq j
(3.66)
=
'
i
x q
j =1
j =1
j =1
xi qi'
j
(3.67)
'
j
3.7 Phase Equilibrium Calculations (K-Values)

The basic conditions for equilibrium between vapor and liquid phases in a
system of n components, which are required, in addition to equality of
temperature and pressure, are:
L
fi
fi
(i = 1, 2, n)
(3.4)
This is a set of n (usually non-linear) simultaneous equations, which must

be solved to obtain the solution of the phase equilibrium problem.
L
fi L
i =
xi P
(3.6)
V
f iV
i =
yi P
i L and i V are liquid and vapor fugacity coefficients.
R
RP
RP
In terms of fugacity coefficient, these equations become
xi i = y i i
(i = 1, 2, n)
59
(3.93)
We have an equation of state from which we may calculate the fugacity

coefficients of all components in both phases.
In cases where it is preferable to obtain the fugacity of components in the
liquid phase from an activity coefficient model, we write Eq.(3.4) as
xi i is Pi s i = y i Vi P
(3.94)
The state of the vapor and liquid phases in contact at a given temperature
and pressure may be conveniently specified by the vaporization equilibrium
ratio K i = y x i . When the two phases are in thermodynamic equilibrium, K i is
i
R
given by
K i = Vi
i
(3.95)
Or, in term of an activity coefficient model instead of i L, by

R
Ki =
RP
i is Pi s i
Vi P
(3.96)
The concept of ideality in vapor and liquid mixtures is often useful as a

means of obtaining an initial approximation to the solution of VLE problem. For
an ideal vapor mixture, all fugacity coefficients are unity, while for an ideal
liquid mixture, all activity coefficients and poynting
factors are unity.
Eq.(3.94)then reduces to Raoult`s law.

P
y i P = xi Pi s
(3.97)
Consequently, the total pressure in an isothermal ideal vapor-liquid

system is a linear function of the mole fractions in the liquid phase;
alternatively, the inverse of the total pressure is a linear function of the mole
fraction in vapor phase .
60
K i characterizes the distribution of component i between vapor and liquid

R
phases in equilibrium. The vapor is enriched with component i if K i > 1 and is

R
impoverished with component i for K i < 1 compared to the liquid.

R
3.8 Modification of Mixing and Combining Rules

In general, an equation of state is developed first for pure substance, then
extended to mixture through the use of mixing rules for combining the pure
component parameters. Most of the simple equation of state is evolved from the
Van der Waals mixing rules with or without modifications.
Proper mixing rules (that is, expression which connect the mixture
parameters to pure component parameters and mixture composition) must be
stated. Parameters that were functions at most of temperature, are functions of
temperature and composition.
The composition dependence of EOS is given only by that of a and b. The
functions performing this are called mixing and/or combining rules. The term
combining rule can be applied to the expression giving the property starting
from the same property as the pure components, and mixing rule to that giving
a property as a function of all the possible combinations of the properties for all
the binaries contained in the mixture. The algebraic form of the function is:
a=
x x a
i
(3.98)
j ij
a ij = 1 k ij a i a j
(3.99)
The first equation (3.98) is the mixing rule, the second equation (3.99) the
combining rule, namely the geometric mean between the interactions of the pure
components corrected by a coefficient k ij .
R
61
Two types of cubic equations of state are used to calculate properties of

VLE of mixtures. These equations are Soave-Redlich-Kwong (SRK) equation,
and Peng-Robinson (PR) equation.
Many modification/improvements on the Van der Waals-type equations
of state appear in the literature. These modifications incorporate new parameters
to the equation and/or modify the classical mixing rules. Most of the mixing
rules proposed are either empirical, or they depend on local composition
concepts. Most of these modifications keep the repulsive term mixing rule and
concentrate on modifying the mixing rules for the attractive term.
Each of the above equations is applied to various types of chemical
compounds, for both equations of state, if the deviations are relatively too large
to be suitable as recommended methods. Then those deviations of the results are
certainly due to the poor mixing rules of the equations of state used. In order to
improve the accuracy of VLE results, mixing rules have to be modified by
introducing one or more adjustable parameters. Many approaches found in the
literature are tried to decrease the deviation from experimental results, some of
these are given below.
3.8.1
First Correlation Approach Method

The oldest method used to improve the results obtained from using EOS
due to using poor mixing rules is to use conventional mixing rules with an
adjustable or interaction parameter (k ij ) which is introduced in the attraction
R
term of an EOS. The method used for determining k ij is minimizing the

R
objective function (OF) such as:
OF = [ P lit. P cal. P lit.]

i
(3.100)
62
where k ij value gives the least bubble point pressure deviation from
R
experimental value. The k ij value is introduced in the attraction term A

R
parameter of an EOS described by Eq. (3.10), which is
A=
x x
i
j 1 k ij
(3.10)
Ai A j
This introduction of an adjustable parameter improves the EOS mixing

rules that can be extended to systems containing slightly polar compounds and
consequently reduces bubble point errors.
3.8.2
Second Correlation Approach Method

In this approach method Georges et al. [65] mixing rules are used, which
have the form
a ij = a ij 1 k ij + k ij k ji x i
O
a ij = (a i i)(a j j )
O
(3.101)
A=
x x a
i
ij
(3.102)
With the following temperature dependency model:
ln
= m 1
+ 1
T n
Tc
(3.103)
Where two binary parameters are used (k ij and k ji ) as well as two empirical
R
factors (m and n) for each pure component.

Here binary adjustable parameters are introduced in the PR-EOS
attraction term mixing rule. If Eqs. (3.101 and 3.102) are used, the fugacity
coefficient is obtained as:
ln i =
B i ( ) ( ) + A B i Z + 2.414B (3.104)
a ln
Z 1 ln Z B
2.828B B i Z 0.414B
B
63
where
ai =
x (a
k
ki a ik
x x
2
k kj k jk a kj + xi
x (k
k
ik k ki
)(3.105)
The results are further improved over the first approach method where the
interaction parameter is a function of composition.
Panagiolopoulos and Reid [65] proposed an empirical modification by
introducing a second interaction parameter for each binary:
a ij = 1 k aij + k aij k a ji xi a ij
O
(3.106)
Apparently, both a ij and a ji of the mixture contribute to parameter a

R
symmetrically. This method was successfully applied to the polar and

asymmetric systems. If the molecular sizes are widely different in the systems,
the binary interaction parameter for the cross covolume is important, they
suggested a new expression for b ij :
R
13
13
bi + b j
bij = 1 k bij + k bij k b ji x i
(3.107)
When Eq. (3.107) is employed, the fugacity coefficient of a component in

a mixture becomes:
B
ln i = i (Z 1) ln (Z B ) A 2
2.828B a
b
(3.108)
B
x j aij i ln Z + 2.414B
b
Z 0.414B
where
64

3
n
13+ 13
b
b
j
k
x j bij + b ji
Bi =
x j xk k b k b
jk
kj

j =1
j =1 k =1

3
n
13+ 13
bi b j

+ xi x j k bij k b ji
b
2
j =1
(3.109)
Soave in his later research work modified the mixing rules in order to
improve its accuracy and allows reproducing accurately phase equilibria of polar
and apolar systems. The expression proposed [52] is:
(T ) = 1+ m (1 T ) + n 1 1
T
(3.110)
where m, and n are empirical constants determined by regression to fit

experimental VLE data.
b=
x x b
i
(3.111)
ij
where
bii = bi
and
bij = b ji = 1 hij
b jj = b j
(3.112)
(bi + b )
j
(3.113)
3.9 Equation of State Roots

Cubic equation of state when solved with respect to volume they gives
rise to a cubic polynomial. To find the molar volume for a given temperature
and pressure, the roots of the equation must be found. In the two-phase region,
three real roots exist. A portion of an isotherm is shown in Figure 3.2. The liquid
root is the smallest of the three; the vapor root is the largest. A non-physical root
exists between the other two. This non-physical root is often quite close in
numerical value to the liquid root.
65
Figure 3.2 the roots of equation of state.

The key to getting the right root is the initial guess. Mathcad or Excel can
be used to solve for the desired root without supplying an initial guess. If we use
another Root-finding algorithm often use a Newton-Raphson technique which
finds the derivative of the equation at the initial guess and uses that slope to
linearly extrapolate to where the value of the function f (v) would be equal to
zero. This is graphically illustrated in the figure above. The important point to
understand from this is that if the guessed value for the liquid root is above the
first minimum shown in the figure, then the slope will be positive and the
algorithm will converge on the middle root rather than on the desired liquid root.
Good initial guesses must be made if a vapor root is desired, starting with
a value larger than the vapor root. Actually, the vapor guess does not need to be
very accurate because the second hump on the curve above is so broad. It is
always desirable to choose the ideal gas molar volume as the initial guess for the
vapor root. Thus, v guess = RT/P for the gas root. For the liquid root, a
R
compressibility factor of about 0.001 or smaller is generally chosen. The

compressibility factor is defined as z = Pv/(RT), so a convenient initial guess
would be v = 0.001RT/P.
66
3.10
Parameter Estimation
The estimation of parameters in theoretical and semi-empirical

mathematical models from experimental data is an important requirement in
many fields of science and engineering. Such models offer useful means of
summarizing large amounts of data, allow for interpolation of data and
extensions beyond regions in which measurements have been made, and provide
insight into fundamental physical or chemical phenomena. Most of the models
are nonlinear in their adjustable parameters. The best estimates of these
parameters can be obtained from formalized method, which correctly treats the
statistical behavior of the errors associated with all experimental observations.
It is usually assumed that there are two types of measurement errors:
systematic and random. The former are due to an inherent bias in the
measurement procedure resulting in a consistent deviation of the observable
from its true value. Usually, an experimenters skill and experience provide the
only means of consistently detecting and avoiding systematic errors. Random or
statistical errors are assumed to be the result of a large number of small
disturbances. Such errors have been found to be distributed according to simple
laws that make it possible to treat them with statistical methods [50].
3.10.1 Maximum-Likelihood Principle

In the maximum-likelihood analysis, it is assumed that all measured data
are subject to random errors. If each experiment were replicated, the average
value for each replicated experimental point would approach some true value.
Usually the distribution of a measured variable about its true value is
approximated by the normal distribution, characterized by an associated
variance. The variances are ideally obtained from replicated experiments, but
they may be estimated from experience associated with a particular type of
experimental apparatus. It is customary to assume that the random errors in
different experiments are uncorrelated.
67
For each experiment, the true values of the measured variables are related
by one or more constraints. Because the number of data points exceeds the
number of parameters to be estimated, all constraint equations are not exactly
satisfied for all experimental measurements. Exact agreement between theory
and experiment is not achieved due to random and systematic errors in the data
and to lack of fit of the model to the data. Optimum parameters and true
values corresponding to the experimental measurements must be found by
satisfaction of an appropriate statistical criterion.
If this criterion is based on the maximum-likelihood principle, it leads to
those parameter values that make the experimental observations appear most
likely when taken as a whole. The likelihood function is defined as the joint
probability of the observed values of the variables for any set of true values of
the variables, model parameters, and error variances. The best estimates of the
model parameters and of the true values of the measured variables are those
which maximize this likelihood function with a normal distribution assumed for
the experimental errors. The agreement between theory and experiment is
illustrated schematically in Figure 3.3.
The parameter estimation algorithm based on the maximum likelihood
principle, converges rapidly for almost any initial estimates of the parameters.
The rapid convergence is due in part to the similarity to Gauss-Newton iteration
method and in part to the successful application of a step-limiting procedure that
assures superior convergence behavior [59].
68
Figure 3.3 Schematic diagram illustrating the goodness of fit of the

Litereature data to the model.
For binary vapor-liquid equilibrium measurements, the parameters sought

are those that minimize the objective function:
2
2
O
e
O e
M
T i T i
Pi Pi
=
+
+
2
2
P
T
i =1
O
x xe
1
1
i
i
x1
2
2
e
y1
i (3.114)
y1
O
y
1
i
This objective function is subject to the two equilibrium constraints given

by equation (3.4) for each component. The summation is over all M data points
(P, T, x, y). Superscript e designates a measured value and superscript O
designates the estimated true value corresponding to each measured point. In
equation (3.114), 2 is the estimated variance of each of the measured variables,
P
i.e. pressure, temperature, liquid-phase and vapor-phase mole fractions. The

important feature is that all experimental data are used. The true value of each
measured variable is also found in the course of parameter estimation. The
algorithm employed in the estimation process linearizes the constraint equations
at each iterative step at current estimates of the true values for the variables and
69
parameters. This reduces the calculation at each step to solution of a set of linear
equations.
3.10.2 Effects of Estimated Variances

The need for good estimates of the variances of the measurements cannot
be overemphasized. Unfortunately, these can be accurately estimated only by
completely replicated experiments. One of the limitations of most phase
equilibrium data is that variances of experimental measurements are seldom
known. Fortunately, however, the technique used here does not depend on the
true magnitude of the variances, but on the estimated values of the variances.
3.10.3 Systematic Error

If there is sufficient flexibility in the choice of model and if the number of
parameters is large, it is possible to fit data to within the experimental
uncertainties of the measurements. If such a fit is not obtained, there is either a
shortcoming of the model, greater random measurement errors than expected, or
some systematic error in the measurements. At low pressure, it is often
permissible to neglect nonidealities of the vapor phase. If these nonidealities are
not negligible, they can have the effect of introducing a nonrandom trend into
the plotted residuals similar to that introduced by systematic error. Experience
here has shown that application of vapor-liquid corrections for nonidealities
gives a better representation of the data by the model, even when these
corrections must be estimated [4].
3.11
Thermodynamic Consistency Test
Experimental vapor-liquid equilibrium data consist of pressure,

temperature, and composition of both phases, the extra experimental information
may be used to test the data for thermodynamic consistency. The outcome of the
70
thermodynamic consistency test may be heavily dependent on the reliability of

the determination of the liquid and vapor phase thermodynamic properties.
McDermott and Ellis [66] proposed two-point consistency test that
examines experimental results in pairs. This method simplifies the locating of
random errors and enables the results to be tested for consistency as determined.
The method starts with the isothermal-isobaric Gibbs-Duhem equation in the
form:
x d (log ) = 0
N
i =1
(3.115)
Integrating equation (3.115) directly round a loop of points a, b, c, y, z by the

trapezoidal rule gives:
xia + xib
2
i =1
[log ib log ia]+ xib 2+ xic [log ic log ib]+ ... + xiy 2+ xiz log iz log iy = 0
(3.116)
Simplifying equation (3.116) gives:
iz
ib
ic
+ x ib log
+ ... + x iz log
x ia log
iy
i =1
ia
ib
=0
(3.117)
Comparison of equation (3.116) and (3.117) shows that, although their

left hand sides evaluate the same quantity, the individual terms in equation
(3.116) give a direct comparison of each point with its neighbor, where those in
equation (3.117) are of no particular significance. The form of equation (3.116)
thus offers a basis for the two-point consistency test. Knowledge of each term in
71
the loop, as each term is the deviation of the pair of points with which it is
concerned. Should a particular point be common to several pairs and if it gives
large deviations, then it may be concluded to be inconsistent.
Ignoring the factor of and reducing equation (3.116) to any pair of
points, c and d say, give
(x
N
0=
i =1
ic + x id
)(log id log ic )
(3.118)
The deviation, Dcd, defined as the right-hand side of equation (3.118) is

directly related to the errors in activity coefficients of the points concerned. If
the accuracy of measurement of vapor and liquid mole fractions is within
0.001, it has been calculated that the deviation could be 0.01. The activity
coefficients were calculated from the equation:
i=
yi P
xi pi
(3.119)
It has been shown that the use of ideal activity coefficients, equation
(3.119) does not affect the results of the two point consistency test, equation
(3.118), because the log activity coefficient ratios are independent of any
deviations of the vapor phase from the ideal gas and solution laws. As the multipoint consistency test, equation (3.116) examines results in pairs, this means that
results can be tested for consistency as they are experimentally determined. This
is considered to be one of the advantages for this consistency test.
72
Chapter FOUR: Results and Discussion
CHAPTER FOUR
RESULTS AND DISCUSSION

The calculation of vapor-liquid equilibria is important because of the
difficulty of obtaining experimental values and because it gives a picture of the
general behavior of liquid-vapor mixtures. The applicability and limitations of
vapor-liquid equilibrium prediction by means of equations of state for different
mixing rules and activity coefficient models has been studied.
4.1
System Selection
4.1.1 Binary Systems : Three binary systems are used in this study.
1- binary system(I) consists of Ethanol +2-methyl-2-propanol the literature
data [3] of this system are shown in table below.
Table (4-1) Isobaric vapor liquid equilibrium data of binary system ethanol(1)+ 2-methyl2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x 1 , vapor phase,y 1
R
T/K
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
xt
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
P
73
y.
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
P
2-binary system(II) consists of MTBE + Ethanol the literature data [69] of this
system are shown in table below.
Table (4-2) Isobaric vapor liquid equilibrium data of binary system MTBE (1) + ethanol
(2) at 101.3KPa. Temperature,T, liquid phase x 1 , vapor phase,y 1
R
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
328.14
x.
0.0000
0.0752
0.1558
0.2145
0.2437
0.2837
0.3699
0.4299
0.4967
0.6051
0.7011
0.7250
0.7620
0.7739
0.8117
0.8385
0.8875
0.9262
0.9341
0.9695
1.0000
P
y1.
0.0000
0.2673
0.4363
0.5204
0.5516
0.5875
0.6498
0.6879
0.7200
0.7537
0.8075
0.8186
0.8339
0.8409
0.8584
0.8745
0.9034
0.9317
0.9374
0.9683
1.0000
R
RP
3- binary system(III) consists of MTBE + Octane the literature data [69] of this
system are shown in table below.
Table (4-3) Isobaric vapor liquid equilibrium data when of binary system MTBE (1) +
Octane (2) at 101.3KPa. Temperature,T, liquid phase x 1 , vapor phase,y 1
R
T/K
x1
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
RP
74
y1
R
.
RP
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
4.1.2 Ternary Systems : Three ternary systems are used in this study.
1- ternary system(I) consists of MTBE +Ethanol +2-methyl-2-propanol the
literature data [3] of this system are shown in table below.
Table (4-4) Isobaric vapor liquid equilibrium data of ternary system MTBE (1) +Ethanol
(2) +2-Methyl-2-propanol (3) at 101.3KPa. Temperature,T, liquid phase x i , vapor phase,y i
R
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
x1.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
R
x2.
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
RP
75
RP
y1.
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
R
RP
y2.
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
R
RP
T/K
346.24
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
x1.
0.132
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
R
x2.
0.361
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
RP
76
RP
y1.
0.371
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
R
RP
y2.
0.294
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
R
RP
2- ternary system(II) consists of Ethanol + 2-methyl-2-propanol + Octane the

literature data [3] of this system are shown in table below.
Table (4-5) Isobaric vapor liquid equilibrium data of ternary system Ethanol (1) +2-Methyl2-propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase x i , vapor phase,y i
R
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08
353.89
354.76
354.75
354.5
354.49
x1.
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.160
0.257
0.259
0.270
0.274
0.276
R
RP
x2.
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.460
0.099
0.499
0.319
0.598
0.564
R
RP
77
y1.
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.283
0.669
0.360
0.472
0.329
0.345
R
RP
y2.
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.543
0.128
0.494
0.346
0.567
0.537
R
RP
T/K
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
x1.
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
R
RP
x2.
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
R
RP
y1.
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
R
RP
y2.
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
R
RP
3- ternary system(III) consists of MTBE + Ethanol + Octane the literature

data [69] of this system are shown in table below.
Table (4-6) Isobaric vapor liquid equilibrium data of ternary system MTBE (1) +Ethanol
(2) + Octane (3) at 101.3KPa. Temperature,T, liquid phase x i , vapor phase,y i
R
T/K
x1.
x2.
y1.
y2.
347.81
348.49
348.16
350.94
347.49
347.82
347.49
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
RP
RP
78
RP
RP

T/K
x1.
x2.
y1.
y2.
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
RP
RP
79
RP
RP

T/K
x1.
x2.
y1.
y2.
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
RP
RP
80
RP
RP

One of the greatest arguments in favor of obtaining redundant data is the
ability to assess the validity of the data by means of a thermodynamic
consistency test. The consistency of the experimental data was examined to
provide information on the thermodynamic plausibility or inconsistency and to
recognize any deviations of the measured values [66].
According to McDermott-Ellis test method, two experimental points a
and b are thermodynamically consistent if the following condition is fulfilled:
D < D max
R
(4.1)
The local deviation D is given by
(x
N
D=
i =1
ia + x ib
)(ln ib ln ia )
(4.2)
In this method, it is recommended using of a fixed value of 0.01 for D max

R
if the accuracy in the measurement of the vapor and the liquid mole fraction is
within 0.001. The local maximum deviation, D max , due to experimental errors, is
R
not constant, and is given by

1
x ia + x ib +
x ia
i =1
(
N
Dmax =
+2
i =1
1 1 1
+
+
y
y ia x ib y ib
ln ib ln ia x +
P
(
)
+
x
x
ia ib
N
i =1
1 + 1 t
(
)
+
x
x
ia ib
N
i =1
ta
(4.3)
tb
81
Table 4.7 Results of Thermodynamic Consistency Test.
D max
0.0271
0.029
Thermodynamic
Consistency
Test
Pass
MTBE +Ethanol
0.0241
0.025
Pass
MTBE + Octane
0.0159
0.020
Pass
MTBE+Ethanol+2-methyl-2-propanol
0.0316
0.035
Pass
Ethanol+2-methyl-2-propanol+Octane
0.0242
0.026
Pass
MTBE+Ethanol+Octane
0.0197
0.021
Pass
System
Ternary
systems
Binary
systems
Ethanol + 2-methyl-2-propanol
The conclusion can be drawn that all the data are thermodynamically consistenty
4.3 Statistical Measurement and Analysis of Dispersion

To know the applicability and accuracy of any proposed correlation it is
very important to know how this correlation fits the experimental data which is
done by comparing the obtained results from the proposed correlation with the
experimental data.
The various measurement of dispersion or variation are available, the
most common being the Mean Overall Deviation and Average Absolute
Deviation.
The Mean Overall Deviation mean D % is a more tangible element indicating
the overall goodness of the fit of the data by the correlation and it reads:
n
mean D % =
i =1
exp .
Mi
calcd
Mi
obsd
100
Mi
n
Average Absolute Deviation AAD

82
(4.4)
AAD =
exp .
i =1
calcd
Mi
(4.5)
where M is an intensive property and n is the number of data point.

These equations are used to calculate Mean Overall Deviation mean
D% and Average Absolute Deviation AAD of literature results of binary and
ternary systems.
4.4 Improvement of Equation of State

The almost infinite number of possible mixtures and wide range of
temperature and pressure encountered in process engineering are such that no
single thermodynamic model is ever likely to be applicable in all cases.
Consequently, knowledge and judgment are required to select the most
appropriate methods by which to estimate the conditions under which two
phases will be in equilibrium.
An appropriate equation of state provides a thermodynamically consistent
route to the fugacity coefficient of components in both vapor and liquid phases
and thus offers a very convenient basis for phase equilibrium calculations.
Unfortunately, the simple cubic equations are applicable to mixtures of
molecules without strong specific interactions and they generally fail to give
reliable results for the liquid phase of associating or polar mixtures. Numerous
modifications have been developed for improving the accuracy over a boarder
range of temperature and pressure. In principle, all of them define the
coefficients a and b as functions of temperature and of one or more
characteristic parameters and thus facilitate fitting to experimental data.
The first method was rigorously tested using two various mixing rules for
vapor-liquid equilibria calculation. The first mixing rules tested are illustrated in
83
section 3.8.2 for the PR equation of state, which have the form in equations
[(3.102), (3.103), (3.106), (3.107), (3.108) and (3.109)]
Where m and n are two empirical factors for each pure component, its
values are given in table C-1 in Appendix C in CD.
The second mixing rules tested are illustrated in section 3.8.2 for the SRK
equation of state, which has the form in equations [(3.110), (3.111), (3.112) and
(3.113)]
where m, and n are empirical constants for each pure component, its
values are given in Table C-1 in Appendix C in CD.
A list of optimized interaction parameters for PR-EOS and SRK-EOS for
binary systems is shown in Table C-2 and for ternary systems shown in Table
C-3 in Appendix C in CD.
The second method test is illustrated in section 3.3 the results are obtained
for properties of vapor liquid eqilibriua when fugacity of the component in the
liquid phase is estimated from an activity coefficient mode.
The NRTL model is illustrated in section 3.5.1, which has the form in
equations [(3.51), (3.52) and (3.53)].
The activity coefficients are correlated with the non random two liquid
(NRTL) equation using the term as either a fitting parameter or affixed value.
In the case of the systems containing an alcohol with a hydrocarbon or an ether,
it was acceptable to correlate using the fixed value of 0.47 as the term.
The parameters in the equation were obtained by using maximum-likelihood
principle method. The sum of squares of relative deviations in the activity
coefficients was minimized during optimization of the parameters.
The NRTL parameters, g ij and ij for the binary systems are shown in Table
R
C-4 in Appendix C in CD. The NRTL parameters, g ij and ij for the ternary
R
systems are shown in Table C-5 in Appendix C in CD.

The UNIQUAC model illustrated in section 3.5.2 which has the form in
equations [(3.60) and (363)].
84
The UNIQUAC parameter u ij for the binary systems is shown in Table C-6 in
R
Appendix C in CD. The UNIQUAC parameter u ij for the ternary systems is

R
shown in Table C-7 in Appendix C in CD.

For the UNIFAC model is illustrated in section 3.5.3.1 which has the form in
equations [(3.71), (3.72) and (3.73)].
The constants R k and Q k are shown in Table C-8 and a mn is shown in Table
R
C-9 in Appendix C in CD.

The third method for the vapor liquid equilibrium calculations with the mixing
rules based on GE models is illustrated in section (3.6) which has the form in
P
equations [(3.74), (3.75) and (3.76)].

where the constants C and k ij for binary system are shown in Table C-10 and
R
for ternary systems are shown in Table C-11 in Appendix C in CD.
4.5 Computer Implementation

A computer program was designed and developed by using Mathcad,
Matlab and basic software for the purpose of this work. The basic design
structure involves modularized procedures or subroutines to facilitate testing and
development. The whole structure of the computer program was subjected to
numerous tests and debugging procedures, and was only completed after
undergoing many developments to optimize calculation procedures.
4.5.1 Estimation of Equilibrium Constant
The literature K-value calculation was the first stage in developing the
program. It was then extended to comprise further calculation procedure, such as
the optimization of interaction coefficient employed in the K-value procedures
and obtaining the roots of the equation of compressibility factor z analytically
without iteration procedure. The program began treating binary systems, then it
was extended to ternary systems. The flow chart of computer program is
illustrated schematically in Figures 4.1.a and 4.1.b for EOS models and the flow
chart of computer program is illustrated schematically in Figures 4.2.a and 4.2.b
85
for activity coefficient models . The objective of the calculation is to determine

K-value for binary and ternary systems. The developed equations of state and
their mixing rules were included in the computer program in order to perform all
calculations and to compare their results.
The calculation of vapor and liquid fugacity coefficients of each
component in binary and ternary systems has been implemented by a set of
computer programs for each of the method in the form of subroutines using
Mathcad, Matlab and basic software. They have been developed to achieve the
greatest degree of computation efficiency that is consistent with the complexity
of the mathematical models employed. With the advent of computer programs, it
is no longer necessary to make drastic simplifying assumptions to reduce the
calculations to manageable proportions; the ideal mixture assumption can
sometimes lead to serious error. The full descriptions of program are shown in
Appendix D.
4.5.2 Solution of Cubic Equation of State
The requirement in applying any equation of state to the calculation of
VLE K-value is to solve the equation for the compressibility factor z at a given
temperature, pressure, and composition. The time consuming iterative
procedures required by equation of state for calculating the roots of
compressibility factor can be avoided by obtaining the roots analytically from
the cubic equation. The procedure is to use Matrix technique method without
iteration procedure (trial and error method). The procedure is illustrated in
Appendix D.
86
Given T, P, x and y
Define Pure Component Data

TC, PC and
Select EOS Model
Compressibility Factor Calculation

Finding the Roots
Interaction Coefficients Optimization

Figure 4.1.a Flow chart of the computer program of EOS for
Interaction coefficients optimization
Given T, P, x and y
Select activity coefficient

model
Interaction Coefficients
Optimization
Figure 4.2.a Flow chart of the computer program of activity coefficient models
for Interaction coefficients optimization
87
Given T & P
Define pure component data
Tio, Tc Pc and
Select EOS model
Define Optimized Interaction Coefficients
Estimation xi for first iteration
T=
x T
i
&
=1
Set yi = xi
Compressibility factor calculation finding the roots
K-Value Calculation
i , i
EOS model
Calculate xi and yi
=1 &
y = K
i
Normalized xi and yi
x = K
xi
yi
=1
No
If
x = y
i
=1
Yes
Output xi , yi and Ki
Figure 4.1.b Flow chart of computer

program for estimation of vapor and
liquid phases composition and
equilibrium constant K-values from
EOS model.
88
Given T & P
Define pure component data
Tio, Tc Pc and
Select activity Coefficient model

Select EOS model
Define Optimized Interaction Coefficients
Estimation xi for first iteration

O &
=
=1
x T
i
Set yi = xi
Compressibility factor calculation finding the roots
K-Value Calculation
i , i activity coefficient model
L
Calculate xi and yi
=1 &
y = K
i
Normalized xi and yi
x = K
xi
yi
=1
No
If
x = y =1
i
Figure 4.2.b Flow chart of computer

program for estimation of vapor and
liquid phases composition and
equilibrium constant K-values from
activity coefficient model and EOS
model
Yes
Output xi , yi and Ki
89
4.5.3 Interaction Coefficient

Computational problems such as convergence to a trivial or incorrect root,
or to a local rather than global optimum, or failure to converge to a physically
feasible solution at all are not uncommon difficulties in vapor-liquid equilibrium
calculations.
An important development of the program involves the interaction
coefficient calculation. This attempt is not very common, as the majority of
workers feed the value of the interaction coefficient from other sources to their
programs without computing it. In this program the interaction coefficient
values are calculated by using maximum likelihood principle technique. The
optimal interaction parameters are those that minimize the difference between
calculated and literature values of equilibrium related objective function when
all the measured variables are subjected to error.
It is not uncommon for the objective function in nonlinear parameter
estimation problems to have multiple local optima. However, the standard
methods used to solve these problems are local methods that offer no guarantee
that the global optimum, and thus the best set of model parameters, has been
found. Thus, there is a need for global optimization in nonlinear parameter
estimation. When the global optimum is obtained in the parameter estimation
problem the results are much more consistent.
The maximum likelihood principle method provides a mathematical and
computational guarantee of global optimality in parameter estimation that
provides the best fit to measured data. The objective function in nonlinear
parameter estimation problems is given below:
2
c
lit
c
2
2
lit
y
lit
c
c lit
M
N x x
yj
j
T i T i
Pi Pi
j
j
i
i
i
i
+
=
+
+
2
2
2
2
x
y
P
T
i =1
j =1
90
(4.7)
Where the superscripts c and lit indicate calculated and literature
values,
respectively, the 2 are the estimated variances of the corresponding variables,

P
and the sum is taken over all M literature
data, and N is the number of
compounds in the mixtures. The standard deviations assumed are:

P = 0.5 mmHg
R
T = 0.1 oC
x = 0.001 mole fraction

R
y = 0.005 mole fraction
The assumed standard deviations had been based on the results of

duplicated analyses of samples, and then this inconsistency could indicate either
systematic error in the data or lack of fit of the model to the data. In this case,
however, they are a priori estimates, and the results of the parameter estimation
procedure serve merely to provide best estimates of the standard deviations.
4.6 Discussion of Results

Ethers and alcohols used as gasoline additives have excellent antiknock
properties and are environmentally acceptable substances. Gasoline blended
with about 7-15 % 2-methoxy-2-methyl propane (MTBE) has been used for
high-performance premium gasoline. On the other hand, recommendations for
gasoline additives include not only pure MTBE but also mixtures with alcohols
for high-octane gasoline.
The activity coefficients i are calculated with the equation
R
Py i = i P i sx i
R
RP
(4.8)
In most cases it is preferable to calculate the activity coefficients by including

fugacity coefficients and the Poynting factor correction. All the required
physical property data are available for MTBE to calculate these terms
accurately. The activity coefficients were therefore calculated on the assumption
of an ideal vapor phase. The vapor pressures of the pure components, P i s, were
R
91
RP
obtained using the Antoine equation constants, which are shown in Table C-14
in Appendix C.
4.6.1 BINARY SYSTEMS
The binary vapor liquid equilibrium data for binary system (I) Ethanol(1)
+2-methyl-2-propanol(2) at 101.3 KPa are reported in Tables A-1,A-2,A-3,
A-4, A-5, A-6, A,7, A-8, A-9 and A-10 in Appendix A in CD.
The values of ln i are negative for the whole concentration range. Ethanol
R
+ 2-methyl-2-propanol system is nonazeotropic, which are shown in fig(4.3).

The binary VLE data for binary system (II) MTBE (1) +Ethanol(2) at
101.3KPa are reported in Tables A-11, A-12, A-13, A-14, A-15, A-16, A-17, A18, A-19 and A-20 in Appendix A in CD.
The MTBE + ethanol system forms minimum boiling azeotrope. The azeotrope
data are x1(AZ) =0.955 mole fraction and T(AZ)=327.94 K, which are shown in
fig(4.5).
The binary VLE data for binary system (III) MTBE(1) +Octane(2) at
101.3KPa are reported in Tables A-21, A-22, A-23, A-24, A-25, A-26, A-27, A28, A-29 and A-30 in Appendix A in CD. The system MTBE + Octane dose not
form an azeotrope, which are shown in fig(4.7).
4.6.2 TERNARY SYSTEMS:
The vapor liquid equilibrium data for the ternary system (I) MTBE (1)
+Ethanol (2) + 2-methyl-2-propanol(3) at 101.3KPa are reported in Tables
A-31, A-32, A-33, A-34, A-35, A-36, A-37, A-38, A-39 and A-40 in
Appendix A in CD. This system forms nonazeotropic mixture, which are
shown in fig(4.9).
The VLE data for ternary system (II) of Ethanol(1) + 2-methyl-2-propanol
(2) + Octane (3) at 101.3KPa are reported in Tables A-41, A-42, A-43, A-44,
92
A-45, A-46, A-47, A-48, A-49 and A-50 in Appendix A in CD. This system
forms a non azeotropic mixture, which are shown in fig(4.11).
The VLE data for ternary system (III) MTBE (1) + Ethanol (2) + Octane (3)
at 101.3KPa are reported in Tables A-51, A-52, A-53, A-54, A-55, A-56, A-57,
A-58, A-59 and A-60 in Appendix A in CD. The ternary system (III) dose not
form azeotropic mixture, which are shown in fig(4.13).
Tables B-1, B-2, B-3, B-4, B-5, B-6, B-7, B-8, B-9 and B-10 in Appendix B,
show the K-values for the binary systems(I) Ethanol(1) +2-methyl-2propanol(2)at 101.3KPa and for binary system (II) MTBE (1) +Ethanol(2) at
101.3KPa are reported in Tables B-11, B-12, B-13, B-14, B-15, B-16, B-17, B18, B-19 and B-20 in Appendix B in CD. for binary system (III) MTBE(1)
+Octane(2) at 101.3 kPa, the K-values are reported in Tables B-21, B-22, B-23,
B-24, B-25, B-26, B-27, B-28, B-29 and B-30 in Appendix B in CD.
The K-values for ternary system(I) MTBE (1) +Ethanol (2) + 2-methyl-2propanol(3) at 101.3KPa are reported in Tables B-31, B-32, B-33, B-34, B-35,
B-36, B-37, B-38, B-39 and B-40 in Appendix B in CD.
The K-values for ternary system (II) of Ethanol (1) + 2-methyl-2-propanol

(2) + Octane (3) at 101.3KPa are reported in Tables B-41, B-42, B-43, B-44, B45, B-46, B-47, B-48, B-49 and B-50 in Appendix B in CD.
The K-values for ternary system (III) MTBE (1) + Ethanol (2) + Octane (3) at
101.3KPa are reported in Tables B-51, B-52, B-53, B-54, B-55, B-56, B-57, B58, B-59 and B-60 in Appendix B in CD.
In order to test accurately the suitability of the GE method the three ternary
P
systems that have been chosen encompassing compounds of a wide different

molecular weights and mixtures of various types of non ideality (ideal, nearly
ideal, highly not ideal) including polar mixture. The GE method is appreciably
P
good when applied to the most difficult case of polar mixture of highly different
molecular weight.
93
Table (4.8) indicates that the SRK equation of state for vapor phase with
UNIFAC model for liquid phase gives values that have an overall average
absolute deviation (AAD) and overall percentage mean deviations for vapor
liquid equilibrium K-values for all three binary systems of 0.1576 and 3.6200
respectively, for 71 data points .On the other hand the PR EOS for vapor phase
with UNIFAC model for liquid phase gives values that have an overall average
absolute deviations (AAD) and overall percentage mean deviations (mean D%)
for VLE K-values for all three binary systems of 0.1179 and 3.1120 respectively
,for 71 data points.
The SRK equation of state for vapor phase with UNIQUAC model for
liquid phase gives values that have an overall average absolute deviation (AAD)
and overall percentage mean deviations for vapor liquid equilibrium K-values
for all three binary systems of 0.0903 and 2.7895 respectively,for 71 data points
.while the PR EOS for vapor phase with UNIQUAC model for liquid phase
gives values that have an overall average absolute deviations (AAD) and overall
percentage mean deviations (mean D%) for VLE K-values for all three binary
systems of 0.0609 and 2.3464 respectively ,for 71 data points.
The SRK equation of state for two phase gives values that have an overall
average absolute deviations (AAD) and overall percentage mean deviations for
VLE K-values for all three binary systems of 0.0426 and 1.9696 respectively,
for 71data points. On the other hand the PR equation of state for two phase gives
values that have an overall average absolute deviations (AAD) and overall
percentage mean deviations for VLE K-values for all three binary systems of
0.0375 and 1.8068 respectively, for 71 data points.
The SRK equation of state for vapor phase with NRTL model for liquid
phase gives values that have an overall average absolute deviation (AAD) and
overall percentage mean deviations for vapor liquid equilibrium K-values for all
three binary systems of 0.0341 and 1.6390 respectively, for 71 data points .while
94
the PR EOS for vapor phase with NRTL model for liquid phase gives values that
have an overall average absolute deviations (AAD) and overall percentage mean
deviations (mean D%) for VLE K-values for all three binary systems of 0.0321
and 1.1303 respectively ,for 71 data points.
The Wong- Sandler mixing rules and the PRSV EOS with GE of
P
UNIQUAC equation give values that have an overall average absolute

deviations (AAD) and overall percentage mean deviations for VLE K-values for
all three binary systems of 0.0269 and 1.0115 respectively, for 71data points. On
the other hand the Wong- Sandler mixing rules and the PRSV EOS with GE of
P
NRTL equation give values that have an overall average absolute deviations
(AAD) and overall percentage mean deviations for VLE K-values for all three
binary systems of 0.0232 and 0.8368 respectively, for 71 data points.
As Table (4.9) indicates the SRK equation of state for vapor phase with
absolute deviation (AAD) and overall percentage mean deviations for vapor
liquid equilibrium K-values for all three ternary systems of 0.048 and 4.679
respectively, for 298 data points .while the PR EOS for vapor phase with
absolute deviations (AAD) and overall percentage mean deviations (mean D%)
for VLE K-values for all three ternary systems of 0.042 and 4.254
respectively,for 298 data points.
The SRK equation of state for vapor phase with UNIQUAC model for
liquid phase gives values that have an overall average absolute deviation (AAD)
and overall percentage mean deviations for vapor liquid equilibrium K-values
for all three ternary systems of 0.037 and 3.703 respectively, for 298 data points
.while the PR EOS for vapor phase with UNIQUAC model for liquid phase
gives values that have an overall average absolute deviations (AAD) and overall
percentage mean deviations (mean D%) for VLE K-values for all three ternary
systems of 0.031 and 3.037 respectively ,for 298 data points.
95
The SRK equation of state for two phase gives values that have an overall
average absolute deviations (AAD) and overall percentage mean deviations for
VLE K-values for all three ternary systems of 0.025 and 2.629 respectively, for
298 data points while the PR equation of state for two phase gives values that
deviations for VLE K-values for all three ternary systems of 0.021 and 2.256
respectively, for 298 data points.
The SRK equation of state for vapor phase with NRTL model for liquid
phase gives values that have an overall average absolute deviation (AAD) and
overall percentage mean deviations for vapor liquid equilibrium K-values for all
three ternary systems of 0.018 and 1.921 respectively, for 298 data points .while
the PR EOS for vapor phase with NRTL model for liquid phase gives values that
deviations (mean D%) for VLE K-values for all three ternary systems of 0.013
and 1.565 respectively ,for 298 data points.
The Wong- Sandler mixing rules and the PRSV EOS with GE of
P
UNIQUAC equation gives values that have an overall average absolute

deviations (AAD) and overall percentage mean deviations for VLE K-values for
all three ternary systems of 0.016 and 1.787 respectively, for 298 data points.
While the Wong- Sandler mixing rules and the PRSV EOS with GE of NRTL
P
equation gives values that have an overall average absolute deviations (AAD)
and overall percentage mean deviations for VLE K-values for all three ternary
systems of 0.011 and 1.387 respectively, for 298 data points.
It appears that the calculated equilibrium K-values using the WongSandler mixing rules and the PRSV EOS based on GE models method gave the
P
best results. Because this method is capable of accurate and consistent

predictions of the equilibrium K-values it is applied applicability to mixture
containing heavy hydrocarbons and polar substances.
96
The predicted value for the equilibrium constants are compared with the
literature value and good agreement is obtained.
The calculated VLE is sensitive to the type of cubic EOS used and to the
value of the adjustable parameters, particularly when the EOS are coupled with
the modified mixing rules. In addition, it can be observed that the type of cubic
EOS significantly changes the results when the number of parameter is
increased.
With the effect of the number of adjustable parameters (two, three or
more) on the VLE calculations, including mixtures with polar compounds as one
component or systems containing dissimilar constituents, as more parameters are
used the accuracy of calculated results is increased.
It is evident that the more constants in an equation of state, the more
flexibility in fitting experimental data but it is also clear that to obtain more
constants, one requires more experimental information.
97
Table (4.8) Comparison between average absolute deviations and

percentage mean deviations between literature K-value and those
BINARY
SYSTEMS
System (I)
System()
Ethanol +
2-Methyl-2-propanol
MTBE +Ethanol
30
22
NO. of Data
MTBE +Octane
19
Ethanol
2-methyl2-propanol
MTBE
Ethanol
MTBE
Octane
AAD
0.0064
0.0410
0.0100
0.0669
0.0090
0.1220
0.0426
MeanD%
0.5020
0.8001
0.9024
3.2808
0.4420
5.8896
1.9696
AAD
0.0052
0.0401
0.0092
0.0617
0.0081
0.1005
0.0375
MeanD%
0.4020
0.6474
0.7555
3.1520
0.3720
5.5112
1.8068
AAD
0.0042
0.0383
0.0074
0.0600
0.0066
0.0883
0.0341
MeanD%
0.4011
0.6210
0.6903
2.8759
0.3112
4.9346
1.6390
AAD
0.0094
0.0483
0.0182
0.0799
0.0132
0.3730
0.0903
MeanD%
0.7940
1.5823
1.3720
4.2515
0.8157
7.9214
2.7895
AAD
0.0205
0.0884
0.0261
0.1002
0.0207
0.6846
0.1576
MeanD%
1.1034
3.0017
1.7245
5.8247
1.2645
8.8011
3.6200
AAD
0.0029
0.0364
0.0048
0.0594
0.0053
0.0781
0.0312
MeanD%
0.1969
0.5025
0.4875
2.2779
0.1553
3.1615
1.1303
AAD
0.0084
0.0452
0.0172
0.0710
0.0101
0.2132
0.0609
MeanD%
0.6029
1.2957
1.0010
3.8647
0.5920
6.7223
2.3464
AAD
0.0115
0.0621
0.0202
0.0850
0.0176
0.5112
0.1179
MeanD%
0.9345
2.0890
1.4992
5.0012
1.0359
8.1124
3.1120
AAD
0.0021
0.0300
0.0044
0.0545
0.0044
0.0664
0.0269
MeanD%
0.1965
0.4211
0.2901
2.0969
0.1000
2.9881
1.0155
AAD
0.0011
0.0276
0.0030
0.0522
0.0020
0.0535
0.0232
MeanD%
0.0998
0.3646
0.1982
2.0041
0.0964
2.2572
0.8368
K- value
(SRK)Vdna
L
System ()
Overall Error
calculated by various methods for binary systems.
(PR) Vdna L
P
(SRK) V
(NRTL) L
P
(SRK) V
(UNIQUAC) L
P
(SRK) V
(UNIFAC) L
P
(PR) V
(NRTL) L
P
(PR) V
(UNIQUAC) L
P
(PR) V
(UNIFAC) L
P
WS and PRSV
Based on
UNIQUAC GE
P
WS and PRSV
Based on NRTL
GE
P
98
Table (4.9) Comparison between average absolute deviations and

percentage mean deviations between literature K-value and those
calculated by various methods for ternary systems.
TERNARY
SYSTEMS
MTBE +
Ethanol + 2-Methyl-2propanol
Octane
MTBE
Ethanol
Octane
0.034
0.015
0.015
0.033
0.013
0.019
0.061
0.025
MeanD%
1.030
0.820
6.567
0.787
0.510
5.724
0.315
0.711
7.200
2.629
AAD
0.019
0.007
0.025
0.011
0.011
0.031
0.010
0.015
0.059
0.021
MeanD%
0.988
0.579
5.119
0.711
0.483
4.845
0.251
0.655
6.671
2.256
AAD
0.013
0.005
0.022
0.010
0.009
0.029
0.007
0.013
0.052
0.018
MeanD%
0.815
0.413
3.477
0.622
0.411
4.613
0.207
0.521
6.211
1.921
AAD
0.045
0.016
0.053
0.026
0.020
0.041
0.025
0.028
0.078
0.037
MeanD%
1.798
1.701
8.533
1.215
1.222
7.973
0.882
1.172
8.831
3.703
AAD
0.058
0.022
0.066
0.034
0.027
0.053
0.035
0.039
0.102
0.048
MeanD%
2.181
2.064
10.312
2.019
1.861
9.011
1.905
2.439
10.321
4.679
AAD
0.009
0.004
0.016
0.009
0.006
0.028
0.006
0.011
0.051
0.016
MeanD%
0.517
0.409
3.144
0.519
0.303
4.521
0.155
0.410
6.101
1.787
AAD
0.037
0.013
0.042
0.020
0.018
0.038
0.020
0.023
0.067
0.031
MeanD%
1.443
1.133
7.011
1.015
0.933
6.318
0.621
0.852
8.011
3.037
AAD
0.050
0.018
0.059
0.030
0.023
0.046
0.030
0.033
0.088
0.042
MeanD%
2.001
1.976
10.051
1.753
1.475
8.238
1.345
1.934
9.511
4.254
AAD
0.008
0.002
0.013
0.006
0.005
0.027
0.003
0.005
0.048
0.013
MeanD%
0.311
0.310
2.500
0.134
0.215
4.492
0.104
0.305
5.534
1.565
AAD
0.003
0.001
0.012
0.005
0.002
0.025
0.002
0.003
0.045
0.011
MeanD%
0.103
0.205
2.335
0.311
0.204
4.005
0.102
0.205
5.011
1.387
propanol
0.008
Ethanol
0.026
MTBE
2-methyl-2propanol
2-methyl-2-
122
(PR) Vand L
P
88
Ethanol
MTBE +
Ethanol +
Octane
AAD
K- value
System ()
Ethanol +
2-Methyl-2-propanol
+ Octane
88
NO. of Data
(SRK) Vand L
System()
(SRK) V
(NRTL) L
P
(SRK) V
(UNIQUAC) L
P
(SRK) V
(UNIFAC) L
P
(PR) V
(NRTL) L
P
(PR) V
(UNIQUAC) L
P
(PR) V
(UNIFAC) L
P
WS and PRSV
Based on
UNIQUAC GE
WS and PRSV
Based on
NRTL
GE
P
Overall Error
System (I)
99
The literature on VLE for the ethanol +2-methyl-2-propanol system is

shown graphically in figures (4.3) and (4.4).
Figure (4.3) Temperature-composition diagram for ethanol (1) +2methyl-2-propanol (2) at 101.3 kPa. literature data [3]: O, x 1 ; , y 1 .and ,
R
x 1 ; , y 1 . -, PRSV-EOS with WS mixing rules and NRTL model with

R
parameter in Table (C-12) in Appendix C in CD.
Figure (4.4) Activity coefficient-liquid composition diagram for ethanol (1) + 2methyl-2-propanol (2) at 101.3 kPa. literature data [3]: O, ln 2 ; , ln 2 .
,ln 1 ;,ln 2 . -, NRTL equation with parameters from Table(C-4) in Appendix
C in CD.
R
100
The MTBE + ethanol system forms minimum boiling azeotrope. the

azeotrope data are x1(AZ) =0.955 mole fraction and T(AZ)=327.94K. the
literature on VLE for the MTBE + Ethanol system is shown in Figures (4.5)and
(4.6).
The tendency of a mixture to form an azeotrope depends on two factors:
The difference in the pure component boiling points.
The degree of nonideality.
The closer the boiling points of the pure components and the less ideal mixture,
the greater the likelihood of an azeotrope.
Figure (4.5) Temperature-composition diagram for MTBE (1) +ethanol (2) at

101.3 kPa: (O) x 1 , () y 1 litreature data [69]; () x 1 , () y 1 , (-) PRSV-EOS and
R
WS mixing rules and NRTL model with parameter from Table (C-12) in
Appendix C in CD.
101
Figure (4.6) Activity coefficient-liquid composition diagram for MTBE (1) +

ethanol (2) at 101.3 kPa: (O) ln 1 ,() ln 2 literature data [69]; () ln 1 , ()
ln 2 , (-) NRTL equation with parameter from Table (C-4) in Appendix C in
CD.
R
The literature on VLE for the binary system MTBE +Octane is shown
graphically in Figures (4.7) and (4.8).
Figure (4.7) Temperature-composition diagram for MTBE (1) +octane (2) at

101.3 kPa: (O) x 1 , () y 1 ; literature data [69] ;() x 1 , () y 1 , (-) PRSV-EOS
with WS mixing rules and NRTL model with parameter from Table (C-12) in
Appendix C in CD.
R
102
Figure (4.8) Activity coefficient-liquid composition diagram for MTBE (1) +

octane (2) at 101.3 kPa: (O) ln 1 , ()ln 2 literature data [69]; () ln 1 , () ln
2 , (-)NRTL equation with parameters from Table (C-4) in Appendix C in CD.
R
The tie lines and isotherms based on the literature data for this ternary
system (I) MTBE(1) +Ethanol(2) + 2-methyl-2-propanol(3) at 101.3KPa are
shown in Figures (4.9) and (4.10) respectively. the system forms
nonazeotropic mixture.
Figure (4.9) Tie lines for the ternary system MTBE (1) + ethanol(2) + 2-methyl2-propanol (3) at 101.3 kPa: O, liquid composition;,vapor composition.
103
Figure (4.10) Isotherms for the ternary system MTBE (1) + ethanol(2) + 2methyl-2-propanol (3) at 101.3 kPa.
The ternary system (II) of Ethanol(1) + 2-methyl-2-propanol (2) + Octane
(3) at 101.3KPa are shown graphically in Figures (4.11) and (4.12) This
system forms anon azeotropic mixture.
Figure (4.11) Tie lines for the ternary system ethanol (1) + 2-methyl2-propanol (2) + octane (3) at 101.3 kPa: O, liquid composition;, vapor
composition.
104
Figure (4.12) Isotherms for the ternary system ethanol (1) +2-methyl-2propanol (2) + octane (3) at 101.3 kPa.
The tie lines and isotherms based on data for the ternary system(III) MTBE
(1) + Ethanol (2) + Octane (3) at 101.3KPa do not form azeotropic mixture
shown in Figures (4.13) and (4.14).
Figure (4.13) Tie lines for the ternary system MTBE (1) + ethanol (2) + octane
(3) at 101.3 kPa: (O) liquid composition; () vapor composition.
105
Figure (4.14) Isotherms for the ternary system MTBE (1) + ethanol(2) + octane
(3) at 101.3 kPa.
106
Chapter five: conclusion and Recommendation for future work
CHAPTER five
Conclusion and Recommendation

for future work
5.1 Conclusion
Based on this study, the following conclusions can be made:
1) All literature data are thermodynamically consistent because they passed the
thermodynamic consistency test of McDermott-Ellis test method.
2) The success of correlating vapor-liquid equilibrium data using a cubic equation
of state primarily depends on two things: one is the function and the other is
the mixing rule upon which the accuracy of predicting mixture properties relies.
3) In dealing with VLE of asymmetric and polar compounds, the composition
dependence mixing rules must be used rather the conventional mixing rule.
4) The computer program developed in this work for VLE calculation of K-values
uses the maximum likelihood principle for parameter estimation which provides
a mathematical and computational guarantee of global optimality in parameter
estimation.
5) The method of calculations with mixing rule based on GE models has been
P
shown to be a suitable tool for computer calculations of the equilibrium

behavior for hydrocarbons.
6) For the three binary systems of 71 data point the results obtained for VLE Kvalues are:
107
a) when using EOS in both phases, the PR EOS gives better results than using
SRK EOS. The overall average absolute deviations (AAD) and overall percentage
mean deviation for PR equation of state for two phases are 0.0375 and 1.8068
respectively. But The overall average absolute deviations (AAD) and overall
percentage mean deviation for SRK equation of state for two phases are 0.0426 and
1.9696 respectively.
b) when using EOS for vapor phase and activity coefficient models for liquid phase
both (PR and SRK) EOS gives better results with NRTL activity coefficient model
than (UNIQUAC and UNIFAC) models.
The overall average absolute deviations (AAD) and overall percentage mean
deviation for PR EOS for vapor phase with NRTL model for liquid phase are
0.0312 and 1.1303 respectively and The overall average absolute deviations (AAD)
and overall percentage mean deviation for SRK equation of state for vapor phase
with NRTL model for liquid phase are 0.0341 and 1.6390 respectively.
deviation for PR EOS for vapor phase with UNIQUAC model for liquid phase are
with UNIQUAC model for liquid phase are 0.0903 and 2.7895 respectively. And
deviation for PR EOS for vapor phase with UNIFAC model for liquid phase are
with UNFAC model for liquid phase are 0.1576 and 3.6200 respectively.
c) when using the Wong-Sandler mixing rules and the PRSV EOS with GE of
P
NRTL model gives better results than using the Wong-sandler mixing rules and the
PRSV EOS with GE of UNIQUAC model.
P
108
deviation for WS mixing rules and PRSV EOS with GE of NRTL are 0.0232 and
P
0.8387 respectively but the overall average absolute deviations (AAD) and overall
percentage mean deviation for WS mixing rules and PRSV EOS with GE of
P
UNIQUAC are 0.0269 and 1.0155 respectively.

Table (5.1) the overall error for three binary systems by comparison between
average absolute deviation and percentage mean deviation between literature
K values and those calculated by various methods.
BINARY SYSTEMS
NO. of Data
71
K- value
Overall Error
(SRK)
Vdna L
AAD
0.0426
MeanD%
1.9696
(PR)
Vdna L
AAD
MeanD%
0.0375
1.8068
(SRK) V
(NRTL) L
(SRK) V
(UNIQUAC) L
(SRK) V
(UNIFAC) L
AAD
MeanD%
AAD
MeanD%
AAD
MeanD%
0.0341
1.6390
0.0903
2.7895
0.1576
3.6200
(PR)
(NRTL) L
(PR) V
(UNIQUAC) L
(PR) V
(UNIFAC) L
AAD
MeanD%
AAD
MeanD%
AAD
MeanD%
0.0312
1.1303
0.0609
2.3464
0.1179
3.1120
WS and PRSV
Based on
UNIQUAC GE
WS and PRSV
Based on NRTL
GE
AAD
0.0269
MeanD%
1.0155
AAD
0.0232
MeanD%
0.8368
V
P
109
7) For the three ternary systems of 298 data point the results for VLE K-values
from parameters obtained from ternary data are:
a) when using EOS in both phases, the PR EOS gives better results than using
SRK EOS. The overall average absolute deviations (AAD) and overall percentage
mean deviation for PR equation of state for two phases are 0.021 and 2.256
respectively. But The overall average absolute deviations (AAD) and overall
percentage mean deviation for SRK equation of state for two phases are 0.025 and
2.629 respectively.
b) when using EOS for vapor phase and activity coefficient models for liquid phase
both (PR and SRK) EOS gives better results with NRTL activity coefficient model
than (UNIQUAC and UNIFAC) models.
deviation for PR EOS for vapor phase with NRTL model for liquid phase are 0.016
and 1.787 respectively and The overall average absolute deviations (AAD) and
overall percentage mean deviation for SRK equation of state for vapor phase with
NRTL model for liquid phase are 0.018 and 1.921 respectively.
deviation for PR EOS for vapor phase with UNIQUAC model for liquid phase are
with UNIQUAC model for liquid phase are 0.037 and 3.703 respectively. And
deviation for PR EOS for vapor phase with UNIFAC model for liquid phase are
with UNFAC model for liquid phase are 0.048 and 4.679 respectively.
110
c) when using the Wong-Sandler mixing rules and the PRSV EOS with GE of
P
NRTL model gives better results than using the Wong-sandler mixing rules and the
PRSV EOS with GE of UNIQUAC model.
P
deviation for WS mixing rules and PRSV EOS with GE of NRTL are 0.011 and
P
1.387 respectively but the overall average absolute deviations (AAD) and overall
percentage mean deviation for WS mixing rules and PRSV EOS with GE of
P
UNIQUAC are 0.013 and 1.565 respectively.

Table (5.2) the overall error for three ternary systems by comparison between
average absolute deviation and percentage mean deviation between literature
K values and those calculated by various methods.
TERNARY SYSTEMS
NO. of Data
K- value
(SRK) Vand
L
298
Overall Error
AAD
0.025
MeanD%
2.629
(PR) and
L
AAD
MeanD%
0.021
2.256
(SRK) V
(NRTL) L
(SRK) V
(UNIQUAC) L
(SRK) V
(UNIFAC) L
AAD
MeanD%
AAD
MeanD%
AAD
MeanD%
0.018
1.921
0.037
3.703
0.048
4.679
(PR)
(NRTL) L
(PR) V
(UNIQUAC) L
(PR) V
(UNIFAC) L
AAD
MeanD%
AAD
MeanD%
AAD
MeanD%
0.016
1.787
0.031
3.037
0.042
4.254
WS and PRSV
Based on
UNIQUAC GE
WS and PRSV
Based on
NRTL GE
AAD
0.013
MeanD%
1.565
AAD
0.011
MeanD%
1.387
V
P
V
P
111
8) The Wong- Sandler mixing rules and the PRSV EOS with GE models method in
P
this work gives more accurate results in evaluating K-values than other methods
for binary system and ternary system
5.2 Recommendation for Future Work

Although this work is an attempt to modify the prediction of vapor-liquid
equilibria, there will be undoubtedly always a need for further improvement. Based
on the conclusions presented previously, the following recommendations may be
made for future work:
1.
New mixing rules should be tested not only for VLE prediction, but also
for the prediction of other thermodynamic properties as a necessary step in the

validation of new thermodynamic models.
2.
Future work should include searching for a new mixing rule which will be
applicable to the high temperature and pressure regions, i.e. the regions close to
and at the critical point.
3.
The behavior of polar compound in hydrocarbon mixtures should be
studied in more detail both theoretically and experimentally and its affects on
the behavior of other components in the mixtures should be determined.
4.
Further understanding of the interaction between molecules leading to
interaction coefficients should be studied in more detail. The effect of

temperature, pressure and composition on interaction coefficients for ternary
systems should also be studied.
112
REFERNCES
REFERENCES
[1]
Walas, S. M., Phase Equilibria in Chemical Engineering, Butterworth

Publishers, London, 1985.
[2]
Hull, A., Kronberg, B., Van stam, J., Golubkov, I. and Kristensson, J.,
Vapor-liquid Equilibrium of binary mixtures. Ethanol + 1-butanol, Ethanol +
Octane, 1-butanol + Octane, J. Chem. Eng. Data, 51, 1996-2001, 2006.
[3]
Hiaki, T. and Tatsuhana, Isobaric Vapor-Liquid Equilibria for Binary and

ternary Systems of 2-methoxy-2-methylpropane, Ethanol, 2-Methyl-2propanol, and Octane at 101.3KPa, J. Chem. Eng. Data, 45, 564-569, 2000.
[4]
Smith, J. M., and Van Ness, H. C., Introduction to Chemical Engineering

Thermodynamics, 7th ed., McGraw-Hill Book Company, 2005.
P
[5]
Peneloux, A., Abdoul, W. and Rauzy, E., Excess Function and Equation of
State, Fluid Phase Equilibria, 47, 115-132, 1989.
[6]
Poling, B. E., Prausnitz, J. M. and O`Connell, J. P., The Properties of Gases

and Liquids,5th ed., Mc Graw-Hill Book Company, 2001.
P
[7]
Huron, M. J. and Vidal, J.,New Mixing Rules in Simple equations of state

for Vapor Liquid Equilibria of Strongly Non-ideal Mixtures, Fluid Phase
Equilibria, 3, 255-271, 1979.
[8]
Sytryjeck, R., and Vera, J. H.,An Improved Peng Robinson Equation of State
for Pure and Mixture, J. of Chem. Eng., 64, 323, 1986.
[9]
Owen, K. and Coley, T., Automotive Fuels Reference Book, 2nd ed.,
P
Warrendale, PA. Society of Automotive Engineers, 1995.

[10] Schnaas, L. Rothenberg, S.J., Flores, M.F., Martinez, S., Hernandez, C.,
Osorio, E. and Perroni, E., Blood Lead Secular Trend in a Cohort of
Children in Maxico City (1987-2002), 2004.
113
REFERNCES
[11] Thomas, V.M., The elimination of lead in gasoline, Annual Review of

Energy and Environment, 20, 301-324, 1995.
[12] Lincoln, K. J., The secret history of lead, special report, The Nation March,
11-45, 2000.
[13] Gomez, J., Brasil, T. and Chan, N., An overview of the Use of Oxygenates
in Gasoline, California Air Resources Board, September, 1998.
[14] McKinnon, R.J. and Dyksen, J. E., Removing organic from groundwater
through aeration plus GAC, Journal American water works Association
May, 42-47, 1984.
[15] Garrett, P., Moreau, M. and Lowry, J.D., MTBE as aground water
contaminant, Petroleum Hydrocarbons and Organic chemical in Ground
water, 227-238, 1986.
[16] Hitzig, R., Kostecki, P. and Leonard, D., Study Reports LUST Programs
are Feeling Effects of MTBE Releases, Soil &Groundwater clean up,
August/September, 15-19, 1998.
[17] CRS report for congress, MTBE in Gasoline Clean Air and Drinking water
Issue, 98-290, 2003.
[18] California Energy Commission, Commission finding Timetable for the
Phase Out of MTBE from Californias Gasoline Supply, Docket No. 99GEO-1, 1999.
[19] Kim, Y., Vapor-Liquid Equilibrium Measurements for Clean Fuel
Processes, Helsinki University of Technology, 2005.
[20] Assessment of California Reformulated Gasoline Impact on Vehicle Fuel
Economy, Lawrence Livermore National Laboratory, January 1997.
[21] Nadim, F., Zack, P., Hoag, G.E. and Liu, Sh., United States Experience with
Gasoline Additives, Energy Policy, 29, 1-5, 2001.
114
REFERNCES
[22] Stephens, M., Comparison of Ethanol and MTBE and Their Use as
Additives to Gasoline, Bowling Green State University in Ohio, December,
2001.
[23] Davidson, J. M. and Creek, D. N., Using the Gasoline Additive MTBE in
Forensic Environmental Investigations, Environmental Forensics, 1, 31-36,
2000.
[24] Harvey, C. A., Environmental Protection Agency, USEPA, September,
1989.
[25] Thomas, V. and Kowng, A., Ethanol as a Lead Replacement: Phasing out
Leaded gasoline in Africa, Energy Policy, 29, 1133-1143, 2001.
[26] Davdson, J. M., Fate and transport of MTBE, Petroleum Hydrocarbons and
Organic Chemicals in Ground water, 285-301, 1995.
[27] OSTP, Interagency Assessment of Oxygenated Fuels, Office of Science and
Technology Policy, June, 1997.
[28] Happel, A. M., Beckenbach, E. H. and Halden, R. V., An Evaluation of
MTBE Impact to California Ground Water Resources, California, Lawrence
Livermore National Laboratory, June 11, 1998.
[29]
Bertucco, P. A. and Fermeglia, M., Correlation of Thermodynamic

Properties of Fluids by Means of Equation of State, Thermodynamica Acta.,
137, 21, 1988.
[30] French, R. and Malone, P., Phase Equilibria of Ethanol Fuel Blends, Fluid
Phase Equilibria, 228-229, 27-40, 2005.
[31] Zudkevich,
D., Murthy,
A. K. S. and Gmehling, J., Hydrocarbon
Processes, 6, 93-100, 1995.

[32] Hatzioannidis, I., Voutsas, E. C., Lois, E. and Tassios, D. P., J. Chem. Eng.
Data,43, 386-392, 1998.
115
REFERNCES
[33] Hull, A., Kronberg, B., Van Stam, J., Golubkov, I. and Kristensson, J.,
Vapor-liquid
Equilibrium
of
binary
mixtures.
Ethanol
+2,2,4-
Trimethylpentane, 1-Butanol + 2,2,4- Trimethylpentane, and Ethanol + oxylene, J. Chem. Eng. Data, 51, 2002-2008, 2006.
[34] Menezes, E. W., Cataluna, R., Samios, D. and Silva, R., Addition of an
Azeotropic ETBE/Ethanol Mixture in Eurosuper-type Gasoline, Fuel, 85,
2567-2577, 2006.
[35] Park, S. J. and Lee, T. J., Vapor-Liquid Equilibria and Excess Molar
Properties of MTBE +methanol and +ethanol mixtures, Korean Journal of
Chemical Engineering, 12, 20, 110-114, 1995.
[36] Hiaki, T., Fujita, Sh., Tsuji, T., Urata, Sh. and Mizukado, J., VaporLiquid Equilibria for 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane +2methyl-2-propanol
and
pentane
+1,1,2,2-tetrafluoro-1-(2,2,2-
trifluoroethoxy)ethane system, Korean Journal of Chemical Engineering,

20,5, 902-905, 2003.
[37] Watanabe, T., Honda, K. and Arai, Y., Measurement and Correlation of
Isobaric Vapor Liquid Equilibria for Binary and Ternary Systems Containing
methyl Tertiary Butyl Ether (MTBE), methanol and alkanes, Korean Journal
of Chemical Engineering, 20,5,905-910, 2003.
[38] Watanabe, T., Honda, K. and Arai, Y., Vapor-Liquid Equilibria for (methyl
tertiary butyl ether + methanol + octane) and
(methyl tertiary butyl ether +
methanol + i-octane) systems at atmospheric pressure, Korean Journal of

Chemical Engineering, 21, 3, 699-702, 2004.
[39] Wisniak, J., Galindo, G., Reich, R. and Segura, H., Isobaric Vapor-Liquid
Equilibrium
in
the
Systems
Ethyl
116
1,1-Dimethylethyl
Ether
2,2,4-
REFERNCES
Trimethylpentane and Octane, Physics and Chemistry of Liquids, 37, 6, 649660, 1999.
[40] Russinyol, M. C. S., Aucejo, A. and Loras, S., Isobaric Vapor-Liquid
Equilibrium for Ternary Mixtures of Ethanol and Methylcyclohexane with 3methylpentane and tert-butyl alcohol at 101.3 kPa, Fluid Phase Equilibria,
261, 104-110, 2007.
[41] Abu al-Rub, F. A. and Datta, R., Vapor-Liquid Equilibrium data for methyl
tert-Butyl Ether-Ethanol mixture at 90.0K and 101.3 kPa, separation science
and Technology, 37, 1, 229-243, 2002.
[42] Loras, S., Aucejo, A., Munoz, R. and Torre, J., Isobaric Vapor-Liquid
Equilibrium for binary and ternary mixtures of 2-methyl-2-propanol +methyl
1,1-dimethylpropyl ether + 2,2,4-trimethylpentane, Fluid Phase Equilibria,
175, 125-138, 2000.
[43] Aucejo, A., Loras, S., Munoz, R. and Ordonez, L. M., Isobaric Vapor-Liquid
Equilibrium for Binary Mixtures of 2-methylpentane + ethanol and 2-methyl2-propanol, Fluid Phase Equilibria, 156, 173-183, March, 1999.
[44] Chen Ku, H.., Vapor-Liquid Equilibria of the blended Octane Enhancers in a
Gasoline Hydrocarbon, Applied chemistry, 2005.
[45] Hiaki, T., Takahashi, K., Tsuji, T., Hongo, M. and Kojima, K., VaporLiquid Equilibria of Ethanol +Octane at 343.15K and 1-propanol +Octane at
358015K, J. Chem. Eng. Data, 40, 271-273, 1995.
[46] Aucejo, A., Loras, S., Munoz, R. and Ordonez, L. M., Isobaric VaporLiquid Equilibrium for Binary and Ternary Mixtures of Ethanol and 2methyl-2-propanol and 2-methylpentane + ethanol +2-methyl-2-propanol,
Fluid Phase Equilibria,162, 241-252, 1999.
117
REFERNCES
[47] Alonso, C., Montero, E. A., Chamorro, C. R., Segovia, J. J., Martin, M. C.
and Villamanan, M. A., Vapor-Liquid Equilibrium of Octane-enhancing
Additives in Gasolines, Fluid Phase Equilibria, 217, 157-164, 2004.
[48] Pokki, J. P., Kyyny, P. V. and Aittamaa, J., Vapor Liquid Equilibrium for
the 1-butene + methanol, +ethanol, +2-propanol, +2-butanol and + 2-methyl2-propanol systems at 326K, Fluid phase Equilibria, 206, 237-252, 2003.
[49] Harold, R. N., Phase Equilibrium in Process Design, Wiley-Interscience
Publisher, New York, 1970.
[50] Marc, J. A., Martin, J. P. and Thamas, F. T., Thermophysical Properties of
Fluid, An introduction to Their Prediction, Imperial College Press, first
reprint, 1998.
[51] Soave, G., Chem. Eng. Sci., 27, 1197, 1972.
[52] Soave, G., Improvement of the Van der Waals Equation of State, Chem.
Eng. Sci., 39, 2, 357-369, 1984.
[53] Peng, D. Y., and Robinson, D. B., Ind. Eng. Chem. Fundam., 15, 59, 1976.
[54] Wagner, W., Cryogenics 13, 470, 1973.
[55] Wilson, G. M., J. Am. chem... Soc., 86, 127, 1964.
[56] Renon, H. and Prausnitz, J. M., AIChE J.14, 135, 1968.
[57] Renon, H. and Prausnitz, J. M., Ind. Eng. chem. process Des. Dev. 8, 413,
1969.
[58] Abrams, D. S. and Prausnitz, J. M., AIChE J.21, 116, 1975.
[59] Anderson, T. F., Abrams, D. S., Grens, E. A., Evaluation of parameters for
Nonlinear Thermodynamic Models, AIChE J., 24, 20, 1978.
[60] Prausnitz, J. M., Anderson, T., Grens, E., Eckert, C., Hsieh, R. and
O`Connell, J., computer calculations for multicomponent vapor-liquid and
liquid-liquid Equilibria, Prentice Hall, London, 1980.
118
REFERNCES
[61] Gmehling, J., Rasmussen, P. and Fredenslund, F., Ind. Eng. Chem. Process
Des. Dev. 21, 118, 1982.
[62] DECHEMA Vapor-Liquid & Liquid-Liquid Equilibrium Data Collection.
[63] Fredenslund, A., Jones, R. L. and Prausnitz, J. M., AIChE J.21, 1086, 1975.
[64] Fredenslund, A., Gmehling, J. and Rasmussen, P., Vapor-Liquid Equilibria
Using UNIFAC, Elsevier, 1977.
[65] Georges, A.M., Riju, S., A Modified Peng-Robinson Equation of State,
Fluid Phase Equili., 47, 189-237, 1989.
[66] McDermott, C., Ellis, S. R. M., A Multicomponent Consistency Test,
Chem. Eng. Sci., 20, 293, 1965.
[67] Wong, D. S. H, and Sandler, S. I., AIChE J., Vol. 38, P. (671), 1992.
[68] Stryjek, R., and Vera, J. H., PRSV: An Improved Peng-Robinson EOS for
pure Compounds and mixtures, Canada J. of Chemical Engineering, Vol. 64,
P. (323). 1986.
[69] Hiaki, T., Tatsuhana, K., Tsuji, T. and Hongo, M., Isobaric Vapor-Liquid
Equilibria
for
2-methoxy-2-methylpropane
Ethanol
+Octane
and
Constituent Binary systems at 101.3KPa, J. Chem. Eng. Data, 44, 323-327,

1999.
119
APPENDIX A
: tables of data
APPENDIX A
TABLES OF DATA FOR BINARY &

TERNARY SYSTEMS
A.1 BINARY SYSTEMES:
Table (A-1) Isobaric vapor liquid equilibrium data when using SRK EOS for two
phase of binary system ethanol(1)+ 2-methyl-2-propanol(2) at 101.3KPa.
Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit
x1 ca.l.
y1 lit.
y1 cal.
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0323
0.0679
0.0921
0.1107
0.1627
0.2263
0.2845
0.3147
0.3764
0.3990
0.4380
0.4978
0.5309
0.5562
0.5756
0.6234
0.6383
0.6625
0.7088
0.7747
0.7920
0.8271
0.8402
0.8592
0.8763
0.8805
0.8871
0.9099
0.9420
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0357
0.0749
0.1015
0.1220
0.1788
0.2485
0.3122
0.3455
0.4128
0.4378
0.4798
0.5440
0.5792
0.6060
0.6256
0.6743
0.6902
0.7140
0.7594
0.8211
0.8366
0.8671
0.8784
0.8946
0.9088
0.9122
0.9177
0.9359
0.9610
A-1
APPENDIX A
: tables of data
Table (A-2) Isobaric vapor liquid equilibrium data when using PR EOS for two
phase of binary system ethanol (1)+ 2-methyl-2-propanol(2) at 101.3KPa.
Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1 cal.
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0328
0.0690
0.0936
0.1124
0.1653
0.2299
0.2890
0.3197
0.3824
0.4054
0.4450
0.5057
0.5394
0.5650
0.5847
0.6333
0.6485
0.6731
0.7200
0.7870
0.8046
0.8402
0.8535
0.8729
0.8903
0.8945
0.9012
0.9244
0.9570
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0358
0.0752
0.1019
0.1225
0.1796
0.2495
0.3135
0.3469
0.4146
0.4397
0.4818
0.5463
0.5816
0.6085
0.6282
0.6771
0.6931
0.7170
0.7625
0.8245
0.8401
0.8707
0.8820
0.8983
0.9126
0.9160
0.9215
0.9398
0.9650
A-2
APPENDIX A
: tables of data
Table (A-3) Isobaric vapor liquid equilibrium data when using SRK EOS for vapor
phase and NRTL model for liquid phase of binary system ethanol(1)+ 2-methyl-2propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1 cal
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0334
0.0702
0.0953
0.1144
0.1682
0.2340
0.2941
0.3254
0.3892
0.4126
0.4529
0.5147
0.5489
0.5750
0.5951
0.6446
0.6600
0.6850
0.7328
0.8010
0.8189
0.8552
0.8687
0.8884
0.9061
0.9104
0.9172
0.9408
0.9740
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0358
0.0753
0.1020
0.1226
0.1798
0.2498
0.3139
0.3473
0.4150
0.4401
0.4823
0.5469
0.5822
0.6092
0.6289
0.6778
0.6938
0.7177
0.7633
0.8254
0.8410
0.8716
0.8829
0.8992
0.9135
0.9169
0.9224
0.9408
0.9660
A-3
APPENDIX A
: tables of data
Table (A-4) Isobaric vapor liquid equilibrium data when using SRK EOS for vapor
phase and UNIQUAC model for liquid phase of binary system ethanol(1)+ 2methyl-2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1 cal
335.5300
355.4300
355.3500
355.2900
355.2400
355.1200
354.9500
354.7800
354.7000
354.4900
354.4100
354.2600
354.0200
353.8700
353.7600
353.6700
353.4300
353.3500
353.2200
352.9700
352.5800
352.4800
352.2600
352.1800
352.0600
351.9400
351.9100
351.8700
351.7100
351.4400
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0330
0.0694
0.0941
0.1130
0.1661
0.2311
0.2905
0.3214
0.3844
0.4075
0.4473
0.5083
0.5422
0.5680
0.5878
0.6367
0.6519
0.6766
0.7238
0.7911
0.8088
0.8446
0.8580
0.8774
0.8949
0.8992
0.9059
0.9292
0.9620
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0358
0.0753
0.1020
0.1226
0.1798
0.2498
0.3139
0.3473
0.4150
0.4401
0.4823
0.5469
0.5822
0.6092
0.6289
0.6778
0.6938
0.7177
0.7633
0.8254
0.8410
0.8716
0.8829
0.8992
0.9135
0.9169
0.9224
0.9408
0.9660
A-4
APPENDIX A
: tables of data
Table (A-5) Isobaric vapor liquid equilibrium data when using SRK EOS for
vapor phase and UNIFAC model for liquid phase of binary system ethanol(1)+ 2methyl-2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1 cal
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
0.0000
0.0330
0.0693
0.0940
0.1129
0.1660
0.2308
0.2902
0.3211
0.3840
0.4071
0.4469
0.5078
0.5416
0.5674
0.5872
0.6360
0.6512
0.6759
0.7231
0.7903
0.8080
0.8438
0.8571
0.8765
0.8940
0.8982
0.9050
0.9282
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
0.0000
0.0358
0.0753
0.1020
0.1226
0.1798
0.2498
0.3139
0.3473
0.4150
0.4401
0.4823
0.5469
0.5822
0.6092
0.6289
0.6778
0.6938
0.7177
0.7633
0.8254
0.8410
0.8716
0.8829
0.8992
0.9135
0.9169
0.9224
0.9408
351.44
1.0000
0.9610
1.0000
0.9660
A-5
APPENDIX A
: tables of data
Table (A-6) Isobaric vapor liquid equilibrium data when using PR EOS for vapor
phase and NRTL model for liquid phase of binary system ethanol(1)+ 2-methyl-2propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1lit.
x1 cal.
y1 lit.
y1 cal
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0332
0.0699
0.0948
0.1139
0.1673
0.2328
0.2926
0.3237
0.3872
0.4105
0.4506
0.5120
0.5461
0.5721
0.5921
0.6413
0.6566
0.6815
0.7291
0.7969
0.8147
0.8508
0.8643
0.8838
0.9015
0.9057
0.9125
0.9360
0.9690
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0359
0.0754
0.1022
0.1228
0.1801
0.2503
0.3145
0.3480
0.4159
0.4410
0.4833
0.5480
0.5834
0.6104
0.6302
0.6792
0.6952
0.7192
0.7649
0.8271
0.8427
0.8734
0.8848
0.9011
0.9154
0.9188
0.9243
0.9427
0.9680
A-6
APPENDIX A
: tables of data
phase and UNIQUAC model for liquid phase of binary system ethanol(1)+ 2methyl-2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1 cal.
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0331
0.0695
0.0943
0.1133
0.1665
0.2316
0.2911
0.3221
0.3852
0.4084
0.4483
0.5094
0.5433
0.5691
0.5890
0.6380
0.6532
0.6780
0.7253
0.7928
0.8105
0.8464
0.8598
0.8793
0.8968
0.9011
0.9078
0.9311
0.9640
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0359
0.0754
0.1022
0.1228
0.1801
0.2503
0.3145
0.3480
0.4159
0.4410
0.4833
0.5480
0.5834
0.6104
0.6302
0.6792
0.6952
0.7192
0.7649
0.8271
0.8427
0.8734
0.8848
0.9011
0.9154
0.9188
0.9243
0.9427
0.9680
A-7
APPENDIX A
: tables of data
phase and UNIFAC model for liquid phase of binary system ethanol(1)+ 2-methyl2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1 cal
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0330
0.0694
0.0941
0.1130
0.1661
0.2311
0.2905
0.3214
0.3844
0.4075
0.4473
0.5083
0.5422
0.5680
0.5878
0.6367
0.6519
0.6766
0.7238
0.7911
0.8088
0.8446
0.8580
0.8774
0.8949
0.8992
0.9059
0.9292
0.9620
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0359
0.0754
0.1022
0.1228
0.1801
0.2503
0.3145
0.3480
0.4159
0.4410
0.4833
0.5480
0.5834
0.6104
0.6302
0.6792
0.6952
0.7192
0.7649
0.8271
0.8427
0.8734
0.8848
0.9011
0.9154
0.9188
0.9243
0.9427
0.9680
A-8
APPENDIX A
: tables of data
Table (A-9) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from NRTL model for binary system ethanol(1)+ 2methyl-2-propanol(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1 cal.
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0338
0.0709
0.0962
0.1156
0.1699
0.2364
0.2972
0.3288
0.3932
0.4168
0.4576
0.5199
0.5546
0.5810
0.6012
0.6512
0.6668
0.6920
0.7404
0.8092
0.8273
0.8640
0.8776
0.8975
0.9154
0.9197
0.9266
0.9504
0.9840
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0366
0.0768
0.1041
0.1251
0.1835
0.2550
0.3204
0.3545
0.4236
0.4492
0.4923
0.5582
0.5943
0.6218
0.6419
0.6919
0.7081
0.7326
0.7791
0.8424
0.8584
0.8897
0.9012
0.9179
0.9325
0.9359
0.9415
0.9603
0.9860
A-9
APPENDIX A
: tables of data
WS mixing rule based on GE from UNIQUAC model for binary system
ethanol(1)+ 2-methyl-2-propanol(2) at 101.3KPa.Temperature,T, liquid phase x1,
vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1 cal.
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
0.0000
0.0337
0.0708
0.0960
0.1154
0.1696
0.2359
0.2966
0.3281
0.3924
0.4160
0.4566
0.5189
0.5535
0.5798
0.6000
0.6499
0.6654
0.6906
0.7389
0.8076
0.8257
0.8622
0.8758
0.8957
0.9136
0.9179
0.9247
0.9485
0.9820
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
0.0000
0.0365
0.0767
0.1039
0.1249
0.1831
0.2545
0.3197
0.3537
0.4227
0.4483
0.4913
0.5570
0.5931
0.6205
0.6406
0.6905
0.7067
0.7311
0.7776
0.8407
0.8567
0.8879
0.8994
0.9160
0.9306
0.9340
0.9396
0.9583
0.9840
A-10
APPENDIX A
: tables of data

phase of binary system MTBE (1) + ethanol (2) at 101.3KPa. Temperature,T, liquid
phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0708
0.2673
0.2561
340.75
0.1558
0.1466
0.4363
0.4180
338.26
0.2145
0.2018
0.5204
0.4985
337.31
0.2437
0.2293
0.5516
0.5284
336.01
0.2837
0.2670
0.5875
0.5628
333.94
0.3699
0.3481
0.6498
0.6225
332.79
0.4299
0.4045
0.6879
0.6590
331.79
0.4967
0.4674
0.7200
0.6898
330.76
0.6051
0.5694
0.7537
0.7220
329.42
0.7011
0.6597
0.8075
0.7736
329.20
0.7250
0.6822
0.8186
0.7842
328.91
0.7620
0.7170
0.8339
0.7989
328.84
0.7739
0.7282
0.8409
0.8056
328.57
0.8117
0.7638
0.8584
0.8223
328.38
0.8385
0.7890
0.8745
0.8378
328.15
0.8875
0.8351
0.9034
0.8655
328.00
0.9262
0.8716
0.9317
0.8926
327.99
0.9341
0.8790
0.9374
0.8980
327.95
0.9535
0.8972
0.9537
0.9136
327.95
0.9695
0.9123
0.9683
0.9276
328.14
1.0000
0.9410
1.0000
0.9580
A-11
APPENDIX A
: tables of data
phase of binary system MTBE (1) + ethanol (2) at 101.3KPa. Temperature,T, liquid
phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
0.0000
0.0752
0.1558
0.2145
0.2437
0.2837
0.3699
0.4299
0.4967
0.6051
0.7011
0.7250
0.7620
0.7739
0.8117
0.8385
0.8875
0.9262
0.9341
0.9535
0.9695
0.0000
0.0716
0.1483
0.2042
0.2320
0.2701
0.3521
0.4093
0.4729
0.5761
0.6674
0.6902
0.7254
0.7368
0.7727
0.7983
0.8449
0.8817
0.8893
0.9077
0.9230
0.0000
0.2673
0.4363
0.5204
0.5516
0.5875
0.6498
0.6879
0.7200
0.7537
0.8075
0.8186
0.8339
0.8409
0.8584
0.8745
0.9034
0.9317
0.9374
0.9537
0.9683
0.0000
0.2569
0.4193
0.5001
0.5301
0.5646
0.6245
0.6611
0.6919
0.7243
0.7760
0.7867
0.8014
0.8081
0.8249
0.8404
0.8682
0.8954
0.9008
0.9165
0.9305
328.14
1.0000
0.9520
1.0000
0.9610
A-12
APPENDIX A
: tables of data
vapor phase and NRTL model for liquid phase of binary system MTBE (1) +
Ethanol (2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0728
0.2673
0.2569
340.75
0.1558
0.1508
0.4363
0.4193
338.26
0.2145
0.2076
0.5204
0.5001
337.31
0.2437
0.2359
0.5516
0.5301
336.01
0.2837
0.2746
0.5875
0.5646
333.94
0.3699
0.3581
0.6498
0.6245
332.79
0.4299
0.4161
0.6879
0.6611
331.79
0.4967
0.4808
0.7200
0.6919
330.76
0.6051
0.5857
0.7537
0.7243
329.42
0.7011
0.6787
0.8075
0.7760
329.20
0.7250
0.7018
0.8186
0.7867
328.91
0.7620
0.7376
0.8339
0.8014
328.84
0.7739
0.7491
0.8409
0.8081
328.57
0.8117
0.7857
0.8584
0.8249
328.38
0.8385
0.8117
0.8745
0.8404
328.15
0.8875
0.8591
0.9034
0.8682
328.00
0.9262
0.8966
0.9317
0.8954
327.99
0.9341
0.9042
0.9374
0.9008
327.95
0.9535
0.9230
0.9537
0.9165
327.95
0.9695
0.9385
0.9683
0.9305
328.14
1.0000
0.9680
1.0000
0.9610
A-13
APPENDIX A
: tables of data
vapor phase and UNIQUAC model for liquid phase of binary system MTBE(1)+
Ethanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0723
0.2673
0.2569
340.75
0.1558
0.1497
0.4363
0.4193
338.26
0.2145
0.2061
0.5204
0.5001
337.31
0.2437
0.2342
0.5516
0.5301
336.01
0.2837
0.2726
0.5875
0.5646
333.94
0.3699
0.3555
0.6498
0.6245
332.79
0.4299
0.4131
0.6879
0.6611
331.79
0.4967
0.4773
0.7200
0.6919
330.76
0.6051
0.5815
0.7537
0.7243
329.42
0.7011
0.6738
0.8075
0.7760
329.20
0.7250
0.6967
0.8186
0.7867
328.91
0.7620
0.7323
0.8339
0.8014
328.84
0.7739
0.7437
0.8409
0.8081
328.57
0.8117
0.7800
0.8584
0.8249
328.38
0.8385
0.8058
0.8745
0.8404
328.15
0.8875
0.8529
0.9034
0.8682
328.00
0.9262
0.8901
0.9317
0.8954
327.99
0.9341
0.8977
0.9374
0.9008
327.95
0.9535
0.9163
0.9537
0.9165
327.95
0.9695
0.9317
0.9683
0.9305
328.14
1.0000
0.9610
1.0000
0.9610
A-14
APPENDIX A
: tables of data
vapor phase and UNIFAC model for liquid phase of binary system MTBE(1)+
Ethanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0720
0.2673
0.2569
340.75
0.1558
0.1493
0.4363
0.4193
338.26
0.2145
0.2055
0.5204
0.5001
337.31
0.2437
0.2335
0.5516
0.5301
336.01
0.2837
0.2718
0.5875
0.5646
333.94
0.3699
0.3544
0.6498
0.6245
332.79
0.4299
0.4118
0.6879
0.6611
331.79
0.4967
0.4758
0.7200
0.6919
330.76
0.6051
0.5797
0.7537
0.7243
329.42
0.7011
0.6717
0.8075
0.7760
329.20
0.7250
0.6946
0.8186
0.7867
328.91
0.7620
0.7300
0.8339
0.8014
328.84
0.7739
0.7414
0.8409
0.8081
328.57
0.8117
0.7776
0.8584
0.8249
328.38
0.8385
0.8033
0.8745
0.8404
328.15
0.8875
0.8502
0.9034
0.8682
328.00
0.9262
0.8873
0.9317
0.8954
327.99
0.9341
0.8949
0.9374
0.9008
327.95
0.9535
0.9135
0.9537
0.9165
327.95
0.9695
0.9288
0.9683
0.9305
328.14
1.0000
0.9580
1.0000
0.9610
A-15
APPENDIX A
: tables of data
phase and NRTL model for liquid phase of binary system MTBE(1) +Ethanol(2) at
101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0731
0.2673
0.2579
340.75
0.1558
0.1514
0.4363
0.4210
338.26
0.2145
0.2085
0.5204
0.5022
337.31
0.2437
0.2369
0.5516
0.5323
336.01
0.2837
0.2758
0.5875
0.5669
333.94
0.3699
0.3595
0.6498
0.6271
332.79
0.4299
0.4179
0.6879
0.6638
331.79
0.4967
0.4828
0.7200
0.6948
330.76
0.6051
0.5882
0.7537
0.7273
329.42
0.7011
0.6815
0.8075
0.7792
329.20
0.7250
0.7047
0.8186
0.7899
328.91
0.7620
0.7407
0.8339
0.8047
328.84
0.7739
0.7522
0.8409
0.8115
328.57
0.8117
0.7890
0.8584
0.8284
328.38
0.8385
0.8150
0.8745
0.8439
328.15
0.8875
0.8627
0.9034
0.8718
328.00
0.9262
0.9003
0.9317
0.8991
327.99
0.9341
0.9079
0.9374
0.9046
327.95
0.9535
0.9268
0.9537
0.9203
327.95
0.9695
0.9424
0.9683
0.9344
328.14
1.0000
0.9720
1.0000
0.9650
A-16
APPENDIX A
: tables of data
phase and UNIQUAC model for liquid phase of binary system
MTBE(1)+Ethanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0724
0.2673
0.2579
340.75
0.1558
0.1500
0.4363
0.4210
338.26
0.2145
0.2066
0.5204
0.5022
337.31
0.2437
0.2347
0.5516
0.5323
336.01
0.2837
0.2732
0.5875
0.5669
333.94
0.3699
0.3562
0.6498
0.6271
332.79
0.4299
0.4140
0.6879
0.6638
331.79
0.4967
0.4783
0.7200
0.6948
330.76
0.6051
0.5827
0.7537
0.7273
329.42
0.7011
0.6752
0.8075
0.7792
329.20
0.7250
0.6982
0.8186
0.7899
328.91
0.7620
0.7338
0.8339
0.8047
328.84
0.7739
0.7453
0.8409
0.8115
328.57
0.8117
0.7817
0.8584
0.8284
328.38
0.8385
0.8075
0.8745
0.8439
328.15
0.8875
0.8547
0.9034
0.8718
328.00
0.9262
0.8919
0.9317
0.8991
327.99
0.9341
0.8995
0.9374
0.9046
327.95
0.9535
0.9182
0.9537
0.9203
327.95
0.9695
0.9336
0.9683
0.9344
328.14
1.0000
0.9630
1.0000
0.9650
A-17
APPENDIX A
: tables of data
phase and UNIFAC model for liquid phase of binary system MTBE(1)+Ethanol(2)
at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0723
0.2673
0.2579
340.75
0.1558
0.1497
0.4363
0.4210
338.26
0.2145
0.2061
0.5204
0.5022
337.31
0.2437
0.2342
0.5516
0.5323
336.01
0.2837
0.2726
0.5875
0.5669
333.94
0.3699
0.3555
0.6498
0.6271
332.79
0.4299
0.4131
0.6879
0.6638
331.79
0.4967
0.4773
0.7200
0.6948
330.76
0.6051
0.5815
0.7537
0.7273
329.42
0.7011
0.6738
0.8075
0.7792
329.20
0.7250
0.6967
0.8186
0.7899
328.91
0.7620
0.7323
0.8339
0.8047
328.84
0.7739
0.7437
0.8409
0.8115
328.57
0.8117
0.7800
0.8584
0.8284
328.38
0.8385
0.8058
0.8745
0.8439
328.15
0.8875
0.8529
0.9034
0.8718
328.00
0.9262
0.8901
0.9317
0.8991
327.99
0.9341
0.8977
0.9374
0.9046
327.95
0.9535
0.9163
0.9537
0.9203
327.95
0.9695
0.9317
0.9683
0.9344
328.14
1.0000
0.9610
1.0000
0.9650
A-18
APPENDIX A
: tables of data
WS mixing rule based on GE from NRTL model for binary system MTBE(1)+
Ethanol(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit..
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0742
0.2673
0.2630
340.75
0.1558
0.1538
0.4363
0.4293
338.26
0.2145
0.2117
0.5204
0.5121
337.31
0.2437
0.2405
0.5516
0.5428
336.01
0.2837
0.2800
0.5875
0.5781
333.94
0.3699
0.3651
0.6498
0.6394
332.79
0.4299
0.4243
0.6879
0.6769
331.79
0.4967
0.4902
0.7200
0.7085
330.76
0.6051
0.5972
0.7537
0.7416
329.42
0.7011
0.6920
0.8075
0.7946
329.20
0.7250
0.7156
0.8186
0.8055
328.91
0.7620
0.7521
0.8339
0.8206
328.84
0.7739
0.7638
0.8409
0.8274
328.57
0.8117
0.8011
0.8584
0.8447
328.38
0.8385
0.8276
0.8745
0.8605
328.15
0.8875
0.8760
0.9034
0.8889
328.00
0.9262
0.9142
0.9317
0.9168
327.99
0.9341
0.9220
0.9374
0.9224
327.95
0.9535
0.9411
0.9537
0.9384
327.95
0.9695
0.9569
0.9683
0.9528
328.14
1.0000
0.9870
1.0000
0.9840
A-19
APPENDIX A
: tables of data
MTBE(1)+ Ethanol(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
351.44
0.0000
0.0000
0.0000
0.0000
345.39
0.0752
0.0738
0.2673
0.2622
340.75
0.1558
0.1528
0.4363
0.4280
338.26
0.2145
0.2104
0.5204
0.5105
337.31
0.2437
0.2391
0.5516
0.5411
336.01
0.2837
0.2783
0.5875
0.5763
333.94
0.3699
0.3629
0.6498
0.6375
332.79
0.4299
0.4217
0.6879
0.6748
331.79
0.4967
0.4873
0.7200
0.7063
330.76
0.6051
0.5936
0.7537
0.7394
329.42
0.7011
0.6878
0.8075
0.7922
329.20
0.7250
0.7112
0.8186
0.8030
328.91
0.7620
0.7475
0.8339
0.8181
328.84
0.7739
0.7592
0.8409
0.8249
328.57
0.8117
0.7963
0.8584
0.8421
328.38
0.8385
0.8226
0.8745
0.8579
328.15
0.8875
0.8706
0.9034
0.8862
328.00
0.9262
0.9086
0.9317
0.9140
327.99
0.9341
0.9164
0.9374
0.9196
327.95
0.9535
0.9354
0.9537
0.9356
327.95
0.9695
0.9511
0.9683
0.9499
328.14
1.0000
0.9810
1.0000
0.9810
A-20
APPENDIX A
: tables of data
phase of binary system MTBE (1) + Octane (2) at 101.3KPa. Temperature,T,
liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1035
0.1197
0.1748
0.2460
0.2781
0.3159
0.3565
0.4188
0.4901
0.5395
0.5814
0.6125
0.6869
0.7495
0.7967
0.8667
0.9003
0.9510
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4507
0.4955
0.6148
0.7112
0.7500
0.7797
0.8084
0.8415
0.8693
0.8847
0.8982
0.9056
0.9208
0.9331
0.9396
0.9508
0.9550
0.9610
Table (A-22) Isobaric vapor liquid equilibrium data when using PR- EOS for two
phase of binary system MTBE (1) + Octane (2) at 101.3KPa. Temperature,T, liquid
phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1039
0.1202
0.1755
0.2471
0.2792
0.3173
0.3580
0.4206
0.4921
0.5418
0.5839
0.6151
0.6898
0.7526
0.8000
0.8704
0.9041
0.9550
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.1049
0.1214
0.1772
0.2494
0.2819
0.3202
0.3614
0.4245
0.4967
0.5469
0.5894
0.6209
0.6963
0.7597
0.8075
0.8786
0.9126
0.9640
A-21
APPENDIX A
: tables of data
Table (A-23) Isobaric vapor liquid equilibrium data when using SRK- EOS for
vapor phase and NRTL model for liquid phase of binary system MTBE(1)+
Octane(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1059
0.1225
0.1788
0.2517
0.2845
0.3232
0.3648
0.4285
0.5014
0.5520
0.5949
0.6267
0.7028
0.7668
0.8151
0.8868
0.9211
0.9730
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4521
0.4970
0.6168
0.7135
0.7523
0.7821
0.8109
0.8441
0.8720
0.8875
0.9010
0.9084
0.9237
0.9360
0.9425
0.9538
0.9580
0.9640
vapor phase and UNIQUAC model for liquid phase of binary system MTBE (1) +
Octane (2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1050
0.1215
0.1774
0.2496
0.2822
0.3206
0.3618
0.4250
0.4973
0.5474
0.5900
0.6216
0.6970
0.7605
0.8084
0.8795
0.9136
0.9650
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4521
0.4970
0.6168
0.7135
0.7523
0.7821
0.8109
0.8441
0.8720
0.8875
0.9010
0.9084
0.9237
0.9360
0.9425
0.9538
0.9580
0.9640
A-22
APPENDIX A
: tables of data
vapor phase and UNIFAC model for liquid phase of binary system MTBE (1) +
Octane (2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1046
0.1210
0.1766
0.2486
0.2810
0.3192
0.3603
0.4232
0.4952
0.5452
0.5876
0.6190
0.6941
0.7574
0.8050
0.8759
0.9098
0.9610
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4521
0.4970
0.6168
0.7135
0.7523
0.7821
0.8109
0.8441
0.8720
0.8875
0.9010
0.9084
0.9237
0.9360
0.9425
0.9538
0.9580
0.9640
Table (A-26) Isobaric vapor liquid equilibrium data when using PR -EOS for vapor
phase and NRTL model for liquid phase of binary system MTBE (1) + Octane (2)
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1056
0.1222
0.1785
0.2512
0.2839
0.3226
0.3640
0.4276
0.5004
0.5508
0.5937
0.6254
0.7014
0.7652
0.8134
0.8850
0.9192
0.9710
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4540
0.4991
0.6193
0.7164
0.7554
0.7853
0.8143
0.8476
0.8757
0.8911
0.9047
0.9121
0.9275
0.9399
0.9464
0.9577
0.9620
0.9680
A-23
APPENDIX A
: tables of data
Table (A-27) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and UNIQUAC model for liquid phase of binary system MTBE (1)+Octane
(2) at 101.3KPa . Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1051
0.1216
0.1776
0.2499
0.2825
0.3209
0.3622
0.4254
0.4978
0.5480
0.5906
0.6222
0.6977
0.7613
0.8092
0.8804
0.9145
0.9660
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4540
0.4991
0.6193
0.7164
0.7554
0.7853
0.8143
0.8476
0.8757
0.8911
0.9047
0.9121
0.9275
0.9399
0.9464
0.9577
0.9620
0.9680
phase and UNIFAC model for liquid phase of binary system MTBE(1)+ Octane(2)
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1048
0.1212
0.1770
0.2491
0.2816
0.3199
0.3610
0.4241
0.4962
0.5463
0.5888
0.6203
0.6956
0.7589
0.8067
0.8777
0.9117
0.9630
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4540
0.4991
0.6193
0.7164
0.7554
0.7853
0.8143
0.8476
0.8757
0.8911
0.9047
0.9121
0.9275
0.9399
0.9464
0.9577
0.9620
0.9680
A-24
APPENDIX A
: tables of data
WS mixing rule based on GE from NRTL model for binary system MTBE(1)+
Octane(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1072
0.1240
0.1810
0.2548
0.2880
0.3272
0.3693
0.4338
0.5076
0.5588
0.6022
0.6344
0.7115
0.7763
0.8251
0.8977
0.9325
0.9850
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4629
0.5089
0.6315
0.7305
0.7703
0.8008
0.8303
0.8642
0.8928
0.9086
0.9225
0.9301
0.9457
0.9584
0.9650
0.9765
0.9809
0.9870
MTBE(1)+Octane(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K
x1 lit.
x1 cal.
y1 lit.
y1cal.
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000
0.0000
0.1070
0.1238
0.1807
0.2543
0.2874
0.3266
0.3685
0.4329
0.5065
0.5577
0.6010
0.6332
0.7100
0.7747
0.8235
0.8959
0.9306
0.9830
0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000
0.0000
0.4606
0.5063
0.6283
0.7268
0.7664
0.7967
0.8261
0.8598
0.8883
0.9040
0.9178
0.9253
0.9410
0.9535
0.9601
0.9716
0.9759
0.9820
A-25
APPENDIX A
: tables of data
A.2 Ternary SYSTEMES:

[MTBE (1) +Ethanol (2) + 2-methyl-2-propanol (3)]

Table (A-31) Isobaric vapor liquid equilibrium data when using SRK- EOS for two
phase of ternary system MTBE (1) +Ethanol (2) +2-Methyl-2-propanol (3) at
101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.023
0.025
0.027
0.028
0.029
0.032
0.049
0.055
0.056
0.060
0.061
0.062
0.063
0.063
0.066
0.067
0.068
0.069
0.069
0.077
0.077
0.078
0.079
0.082
0.086
0.087
0.087
0.090
0.091
0.096
0.099
0.100
0.101
0.102
0.107
0.111
0.114
0.116
0.118
0.119
0.123
0.123
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.760
0.821
0.697
0.884
0.749
0.813
0.354
0.695
0.392
0.459
0.244
0.531
0.748
0.434
0.493
0.800
0.138
0.582
0.269
0.074
0.153
0.634
0.298
0.666
0.524
0.658
0.168
0.082
0.723
0.714
0.554
0.462
0.783
0.091
0.775
0.602
0.505
0.139
0.255
0.764
0.078
0.653
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.095
0.107
0.108
0.119
0.121
0.132
0.166
0.211
0.190
0.204
0.191
0.216
0.230
0.214
0.228
0.249
0.206
0.243
0.216
0.217
0.230
0.270
0.244
0.282
0.253
0.292
0.256
0.243
0.310
0.319
0.325
0.317
0.338
0.269
0.349
0.356
0.351
0.321
0.340
0.373
0.326
0.381
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.743
0.783
0.681
0.820
0.717
0.758
0.342
0.617
0.373
0.428
0.234
0.486
0.645
0.403
0.448
0.667
0.133
0.515
0.252
0.070
0.143
0.541
0.272
0.556
0.467
0.545
0.155
0.078
0.576
0.566
0.453
0.389
0.592
0.084
0.581
0.471
0.408
0.122
0.217
0.558
0.068
0.491
A-26
APPENDIX A
: tables of data
Table (A-31) Continued.

T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
346.24
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
0.132
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.125
0.127
0.222
0.229
0.233
0.234
0.234
0.238
0.240
0.252
0.259
0.259
0.267
0.267
0.269
0.278
0.278
0.292
0.298
0.306
0.310
0.312
0.316
0.317
0.329
0.336
0.338
0.346
0.349
0.352
0.355
0.361
0.378
0.382
0.382
0.384
0.387
0.395
0.402
0.403
0.429
0.437
0.438
0.439
0.441
0.361
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.342
0.554
0.489
0.191
0.644
0.086
0.364
0.372
0.538
0.269
0.147
0.097
0.575
0.407
0.064
0.436
0.299
0.163
0.446
0.370
0.071
0.475
0.275
0.329
0.182
0.123
0.080
0.520
0.080
0.405
0.303
0.340
0.154
0.139
0.447
0.090
0.256
0.234
0.338
0.374
0.172
0.158
0.101
0.078
0.319
0.371
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.359
0.383
0.521
0.513
0.537
0.509
0.514
0.542
0.549
0.549
0.549
0.545
0.571
0.573
0.552
0.586
0.580
0.586
0.600
0.606
0.593
0.616
0.616
0.620
0.625
0.626
0.626
0.639
0.636
0.638
0.645
0.652
0.662
0.664
0.659
0.665
0.667
0.674
0.679
0.679
0.694
0.698
0.701
0.703
0.700
0.294
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.283
0.426
0.330
0.143
0.399
0.066
0.262
0.254
0.342
0.191
0.110
0.072
0.351
0.266
0.047
0.278
0.201
0.116
0.279
0.238
0.052
0.286
0.183
0.212
0.125
0.088
0.057
0.297
0.057
0.250
0.194
0.212
0.104
0.095
0.262
0.063
0.165
0.153
0.206
0.220
0.114
0.107
0.069
0.054
0.193
334.24
0.467
0.442
0.301
0.285
0.725
0.701
0.184
0.177
A-27
APPENDIX A
: tables of data
phase of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2-propanol(3) at
101.3KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
345.22
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.134
0.023
0.025
0.027
0.029
0.029
0.032
0.049
0.055
0.056
0.060
0.061
0.062
0.063
0.064
0.067
0.068
0.068
0.069
0.069
0.077
0.077
0.078
0.079
0.083
0.087
0.087
0.087
0.090
0.091
0.096
0.100
0.101
0.102
0.103
0.107
0.111
0.114
0.117
0.119
0.120
0.124
0.124
0.126
0.127
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.584
0.776
0.838
0.711
0.903
0.765
0.831
0.361
0.710
0.401
0.469
0.249
0.542
0.764
0.443
0.503
0.817
0.141
0.594
0.275
0.076
0.156
0.648
0.304
0.681
0.535
0.672
0.171
0.084
0.739
0.729
0.565
0.471
0.800
0.093
0.792
0.615
0.516
0.142
0.260
0.780
0.079
0.667
0.349
0.565
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.396
0.095
0.108
0.109
0.119
0.121
0.133
0.167
0.211
0.191
0.204
0.192
0.216
0.231
0.214
0.229
0.249
0.206
0.243
0.216
0.217
0.231
0.270
0.244
0.283
0.254
0.293
0.257
0.243
0.311
0.320
0.326
0.318
0.339
0.269
0.350
0.357
0.352
0.322
0.341
0.374
0.327
0.382
0.359
0.384
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.443
0.750
0.790
0.687
0.827
0.723
0.765
0.346
0.622
0.377
0.432
0.236
0.490
0.651
0.407
0.452
0.673
0.134
0.519
0.254
0.071
0.145
0.546
0.275
0.561
0.471
0.551
0.156
0.079
0.582
0.571
0.457
0.392
0.597
0.084
0.586
0.476
0.412
0.123
0.219
0.563
0.069
0.495
0.285
0.430
A-28
APPENDIX A
: tables of data

T/K
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.230
0.234
0.235
0.235
0.239
0.241
0.253
0.260
0.261
0.268
0.268
0.270
0.280
0.280
0.293
0.300
0.307
0.311
0.313
0.318
0.319
0.330
0.338
0.340
0.347
0.351
0.354
0.357
0.362
0.379
0.383
0.383
0.386
0.389
0.397
0.404
0.405
0.431
0.438
0.439
0.441
0.443
0.444
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.195
0.657
0.088
0.372
0.379
0.549
0.275
0.150
0.099
0.588
0.415
0.065
0.445
0.305
0.166
0.455
0.378
0.073
0.485
0.281
0.336
0.186
0.126
0.081
0.531
0.081
0.413
0.310
0.348
0.157
0.142
0.456
0.092
0.261
0.239
0.346
0.381
0.175
0.162
0.104
0.079
0.326
0.291
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.515
0.538
0.510
0.516
0.543
0.550
0.550
0.550
0.547
0.573
0.575
0.553
0.587
0.581
0.587
0.601
0.608
0.594
0.617
0.617
0.621
0.626
0.627
0.627
0.641
0.638
0.640
0.646
0.653
0.664
0.666
0.661
0.667
0.669
0.675
0.680
0.680
0.696
0.700
0.703
0.704
0.702
0.703
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.145
0.403
0.067
0.264
0.256
0.345
0.193
0.111
0.073
0.354
0.268
0.048
0.281
0.203
0.117
0.282
0.240
0.052
0.288
0.184
0.214
0.126
0.088
0.057
0.300
0.057
0.252
0.196
0.214
0.105
0.096
0.264
0.063
0.167
0.154
0.208
0.222
0.116
0.108
0.070
0.054
0.195
0.179
A-29
APPENDIX A
: tables of data
Table (A-33) Isobaric vapor liquid equilibrium data when using SRK-EOS for
vapor phase and NRTL model for liquid phase of ternary MTBE(1)+Ethanol(2)+2Methyl-2-propanol(3)at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
345.22
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.134
0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.079
0.079
0.080
0.081
0.084
0.088
0.089
0.089
0.092
0.093
0.098
0.102
0.103
0.104
0.105
0.110
0.114
0.117
0.119
0.121
0.122
0.126
0.126
0.128
0.130
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.584
0.781
0.843
0.716
0.909
0.769
0.836
0.363
0.714
0.403
0.471
0.250
0.545
0.768
0.446
0.506
0.822
0.142
0.598
0.277
0.076
0.157
0.652
0.306
0.685
0.539
0.676
0.172
0.085
0.743
0.733
0.569
0.474
0.805
0.094
0.797
0.618
0.519
0.143
0.262
0.785
0.080
0.671
0.352
0.569
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.396
0.094
0.107
0.108
0.118
0.120
0.132
0.165
0.209
0.189
0.203
0.190
0.214
0.229
0.212
0.227
0.247
0.205
0.241
0.214
0.215
0.229
0.268
0.242
0.281
0.252
0.290
0.255
0.241
0.308
0.317
0.323
0.315
0.336
0.267
0.347
0.354
0.349
0.319
0.338
0.371
0.324
0.379
0.357
0.381
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.443
0.750
0.791
0.688
0.828
0.724
0.766
0.346
0.623
0.377
0.433
0.236
0.491
0.651
0.407
0.453
0.674
0.134
0.520
0.255
0.071
0.145
0.546
0.275
0.562
0.471
0.551
0.156
0.079
0.582
0.572
0.458
0.393
0.598
0.085
0.587
0.476
0.412
0.123
0.220
0.564
0.069
0.496
0.286
0.431
A-30
APPENDIX A
: tables of data

T/K
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.227
0.235
0.239
0.240
0.240
0.244
0.246
0.258
0.265
0.266
0.274
0.274
0.276
0.285
0.285
0.299
0.306
0.314
0.318
0.319
0.324
0.325
0.337
0.345
0.347
0.354
0.358
0.361
0.364
0.370
0.387
0.391
0.391
0.394
0.397
0.405
0.413
0.414
0.440
0.448
0.449
0.451
0.452
0.453
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.503
0.196
0.661
0.089
0.374
0.382
0.552
0.277
0.151
0.099
0.591
0.418
0.065
0.448
0.307
0.168
0.458
0.380
0.073
0.488
0.282
0.338
0.187
0.127
0.082
0.535
0.082
0.416
0.312
0.350
0.158
0.143
0.459
0.093
0.263
0.241
0.348
0.384
0.176
0.163
0.104
0.080
0.328
0.293
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.518
0.510
0.533
0.505
0.511
0.538
0.546
0.546
0.546
0.542
0.568
0.570
0.549
0.582
0.577
0.582
0.596
0.603
0.589
0.612
0.612
0.616
0.621
0.622
0.622
0.635
0.632
0.634
0.641
0.648
0.658
0.660
0.655
0.661
0.663
0.670
0.675
0.675
0.690
0.694
0.697
0.699
0.696
0.697
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.333
0.145
0.403
0.067
0.264
0.257
0.345
0.193
0.111
0.073
0.355
0.268
0.048
0.281
0.203
0.118
0.282
0.240
0.052
0.289
0.185
0.214
0.126
0.088
0.057
0.300
0.057
0.253
0.196
0.214
0.105
0.096
0.264
0.063
0.167
0.155
0.208
0.223
0.116
0.108
0.070
0.054
0.195
0.179
A-31
APPENDIX A
: tables of data
vapor phase and UNIQUAC
model for liquid phase of ternary system
MTBE(1)+Ethanol(2)+2-Methyl-2-propanol(3) at 101.3KPa. Temperature,T, liquid
phase xi, vapor phase,yi
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.078
0.078
0.079
0.080
0.084
0.088
0.089
0.089
0.092
0.093
0.098
0.101
0.102
0.103
0.104
0.109
0.113
0.116
0.119
0.121
0.122
0.126
0.126
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.777
0.839
0.712
0.904
0.766
0.831
0.361
0.710
0.401
0.469
0.249
0.543
0.765
0.444
0.504
0.818
0.141
0.595
0.275
0.076
0.156
0.648
0.304
0.681
0.536
0.672
0.172
0.084
0.739
0.730
0.566
0.472
0.800
0.093
0.793
0.615
0.516
0.142
0.261
0.781
0.079
0.668
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.094
0.107
0.108
0.118
0.120
0.132
0.165
0.209
0.189
0.203
0.190
0.214
0.229
0.212
0.227
0.247
0.205
0.241
0.214
0.215
0.229
0.268
0.242
0.281
0.252
0.290
0.255
0.241
0.308
0.317
0.323
0.315
0.336
0.267
0.347
0.354
0.349
0.319
0.338
0.371
0.324
0.379
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.750
0.791
0.688
0.828
0.724
0.766
0.346
0.623
0.377
0.433
0.236
0.491
0.651
0.407
0.453
0.674
0.134
0.520
0.255
0.071
0.145
0.546
0.275
0.562
0.471
0.551
0.156
0.079
0.582
0.572
0.458
0.393
0.598
0.085
0.587
0.476
0.412
0.123
0.220
0.564
0.069
0.496
A-32
APPENDIX A
: tables of data
Table (A-34) continued

T/K
346.24
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.132
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.128
0.129
0.226
0.234
0.238
0.239
0.239
0.242
0.244
0.257
0.264
0.265
0.272
0.272
0.274
0.284
0.284
0.298
0.304
0.312
0.316
0.318
0.323
0.324
0.335
0.343
0.345
0.353
0.356
0.359
0.362
0.368
0.385
0.389
0.389
0.392
0.395
0.403
0.411
0.412
0.438
0.445
0.446
0.448
0.450
0.451
0.361
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.350
0.566
0.500
0.195
0.658
0.088
0.372
0.380
0.549
0.275
0.150
0.099
0.588
0.416
0.065
0.446
0.305
0.167
0.455
0.378
0.073
0.485
0.281
0.336
0.186
0.126
0.081
0.532
0.081
0.414
0.310
0.348
0.157
0.142
0.456
0.092
0.262
0.239
0.346
0.382
0.175
0.162
0.104
0.079
0.327
0.292
0.371
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.357
0.381
0.518
0.510
0.533
0.505
0.511
0.538
0.546
0.546
0.546
0.542
0.568
0.570
0.549
0.582
0.577
0.582
0.596
0.603
0.589
0.612
0.612
0.616
0.621
0.622
0.622
0.635
0.632
0.634
0.641
0.648
0.658
0.660
0.655
0.661
0.663
0.670
0.675
0.675
0.690
0.694
0.697
0.699
0.696
0.697
0.294
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.286
0.431
0.333
0.145
0.403
0.067
0.264
0.257
0.345
0.193
0.111
0.073
0.355
0.268
0.048
0.281
0.203
0.118
0.282
0.240
0.052
0.289
0.185
0.214
0.126
0.088
0.057
0.300
0.057
0.253
0.196
0.214
0.105
0.096
0.264
0.063
0.167
0.155
0.208
0.223
0.116
0.108
0.070
0.054
0.195
0.179
A-33
APPENDIX A
: tables of data
vapor phase and UNIFAC
model for liquid phase of ternary syetem
MTBE(1)+Ethanol (2)+2-Metyl-2-propanol(3) at 101.3 KPa. Temperature,T, liquid
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.063
0.064
0.067
0.068
0.069
0.070
0.070
0.078
0.078
0.079
0.080
0.084
0.088
0.089
0.089
0.091
0.092
0.097
0.101
0.102
0.103
0.104
0.109
0.113
0.115
0.118
0.120
0.121
0.125
0.125
0.127
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.776
0.838
0.711
0.903
0.765
0.831
0.361
0.710
0.401
0.469
0.249
0.542
0.764
0.443
0.503
0.817
0.141
0.594
0.275
0.076
0.156
0.648
0.304
0.681
0.535
0.672
0.171
0.084
0.739
0.729
0.565
0.471
0.800
0.093
0.792
0.615
0.516
0.142
0.260
0.780
0.079
0.667
0.349
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.094
0.107
0.108
0.118
0.120
0.132
0.165
0.209
0.189
0.203
0.190
0.214
0.229
0.212
0.227
0.247
0.205
0.241
0.214
0.215
0.229
0.268
0.242
0.281
0.252
0.290
0.255
0.241
0.308
0.317
0.323
0.315
0.336
0.267
0.347
0.354
0.349
0.319
0.338
0.371
0.324
0.379
0.357
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.750
0.791
0.688
0.828
0.724
0.766
0.346
0.623
0.377
0.433
0.236
0.491
0.651
0.407
0.453
0.674
0.134
0.520
0.255
0.071
0.145
0.546
0.275
0.562
0.471
0.551
0.156
0.079
0.582
0.572
0.458
0.393
0.598
0.085
0.587
0.476
0.412
0.123
0.220
0.564
0.069
0.496
0.286
A-34
APPENDIX A
: tables of data

T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.129
0.225
0.233
0.237
0.238
0.238
0.241
0.243
0.256
0.263
0.264
0.271
0.271
0.273
0.283
0.283
0.296
0.303
0.311
0.315
0.316
0.321
0.322
0.334
0.342
0.343
0.351
0.355
0.358
0.361
0.367
0.384
0.388
0.388
0.391
0.393
0.401
0.409
0.410
0.436
0.443
0.444
0.446
0.448
0.449
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.565
0.499
0.195
0.657
0.088
0.372
0.379
0.549
0.275
0.150
0.099
0.588
0.415
0.065
0.445
0.305
0.166
0.455
0.378
0.073
0.485
0.281
0.336
0.186
0.126
0.081
0.531
0.081
0.413
0.310
0.348
0.157
0.142
0.456
0.092
0.261
0.239
0.346
0.381
0.175
0.162
0.104
0.079
0.326
0.291
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.381
0.518
0.510
0.533
0.505
0.511
0.538
0.546
0.546
0.546
0.542
0.568
0.570
0.549
0.582
0.577
0.582
0.596
0.603
0.589
0.612
0.612
0.616
0.621
0.622
0.622
0.635
0.632
0.634
0.641
0.648
0.658
0.660
0.655
0.661
0.663
0.670
0.675
0.675
0.690
0.694
0.697
0.699
0.696
0.697
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.431
0.333
0.145
0.403
0.067
0.264
0.257
0.345
0.193
0.111
0.073
0.355
0.268
0.048
0.281
0.203
0.118
0.282
0.240
0.052
0.289
0.185
0.214
0.126
0.088
0.057
0.300
0.057
0.253
0.196
0.214
0.105
0.096
0.264
0.063
0.167
0.155
0.208
0.223
0.116
0.108
0.070
0.054
0.195
0.179
A-35
APPENDIX A
: tables of data
phase and NRTL model for liquid phase of ternary MTBE(1)+Ethanol(2)+2Methyl-2-propanol(3)at101.3 KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
345.22
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.030
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.070
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.130
0.130
0.132
0.134
0.023
0.025
0.027
0.029
0.030
0.033
0.051
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.079
0.079
0.080
0.081
0.085
0.088
0.089
0.089
0.092
0.093
0.098
0.102
0.103
0.104
0.105
0.110
0.114
0.117
0.120
0.122
0.122
0.126
0.126
0.128
0.130
0.802
0.866
0.735
0.933
0.790
0.858
0.373
0.733
0.414
0.484
0.257
0.560
0.789
0.458
0.520
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.584
0.784
0.847
0.719
0.912
0.773
0.839
0.365
0.717
0.405
0.473
0.251
0.548
0.772
0.448
0.509
0.825
0.143
0.600
0.278
0.076
0.157
0.654
0.307
0.688
0.541
0.679
0.173
0.085
0.746
0.736
0.571
0.476
0.808
0.094
0.800
0.621
0.521
0.144
0.263
0.788
0.080
0.674
0.353
0.571
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.330
0.336
0.328
0.350
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.396
0.095
0.108
0.109
0.119
0.121
0.133
0.167
0.212
0.191
0.205
0.192
0.217
0.231
0.215
0.229
0.250
0.207
0.244
0.217
0.218
0.231
0.271
0.245
0.284
0.254
0.293
0.257
0.244
0.312
0.320
0.326
0.318
0.340
0.270
0.351
0.357
0.352
0.322
0.342
0.375
0.327
0.383
0.360
0.385
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.670
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.490
0.424
0.127
0.226
0.580
0.071
0.510
0.294
0.443
0.758
0.799
0.695
0.837
0.732
0.774
0.350
0.629
0.381
0.437
0.239
0.496
0.658
0.411
0.458
0.681
0.136
0.525
0.257
0.072
0.146
0.552
0.278
0.568
0.476
0.557
0.158
0.080
0.588
0.577
0.463
0.397
0.604
0.085
0.593
0.481
0.416
0.125
0.222
0.570
0.070
0.501
0.289
0.435
A-36
APPENDIX A
: tables of data

T/K
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.227
0.235
0.239
0.240
0.240
0.244
0.246
0.259
0.265
0.266
0.274
0.274
0.276
0.286
0.286
0.299
0.306
0.314
0.318
0.320
0.325
0.326
0.337
0.345
0.347
0.355
0.359
0.362
0.365
0.370
0.388
0.392
0.392
0.395
0.398
0.405
0.413
0.414
0.440
0.448
0.449
0.451
0.453
0.454
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.460
0.315
0.172
0.470
0.390
0.075
0.501
0.290
0.347
0.192
0.130
0.084
0.549
0.084
0.427
0.320
0.359
0.162
0.147
0.471
0.095
0.270
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.505
0.197
0.664
0.089
0.376
0.383
0.555
0.278
0.152
0.100
0.594
0.420
0.066
0.450
0.308
0.168
0.460
0.381
0.073
0.490
0.284
0.339
0.188
0.127
0.082
0.537
0.082
0.418
0.313
0.351
0.158
0.144
0.461
0.093
0.264
0.242
0.349
0.385
0.177
0.163
0.105
0.080
0.330
0.294
0.539
0.531
0.555
0.526
0.532
0.560
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.600
0.606
0.620
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.660
0.667
0.674
0.685
0.687
0.682
0.688
0.690
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.523
0.516
0.539
0.511
0.517
0.544
0.552
0.552
0.552
0.548
0.574
0.576
0.554
0.588
0.583
0.588
0.602
0.609
0.595
0.619
0.619
0.622
0.627
0.628
0.628
0.642
0.639
0.641
0.648
0.654
0.665
0.667
0.662
0.668
0.670
0.677
0.682
0.682
0.697
0.701
0.704
0.706
0.703
0.704
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.260
0.202
0.220
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.337
0.146
0.408
0.068
0.267
0.259
0.349
0.195
0.112
0.074
0.358
0.271
0.048
0.284
0.205
0.119
0.285
0.243
0.053
0.292
0.187
0.216
0.128
0.089
0.058
0.303
0.058
0.255
0.198
0.216
0.106
0.097
0.267
0.064
0.169
0.156
0.210
0.225
0.117
0.109
0.071
0.055
0.197
0.181
A-37
APPENDIX A
: tables of data
phase and UNIQUAC model for liquid phase of ternary MTBE(1)+Ethanol(2)+2Methyl-2-propanol(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.310
342.82
348.40
343.56
346.24
345.22
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.134
0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.078
0.078
0.079
0.080
0.084
0.088
0.089
0.089
0.092
0.093
0.098
0.102
0.103
0.104
0.105
0.109
0.113
0.116
0.119
0.121
0.122
0.126
0.126
0.128
0.130
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.584
0.779
0.841
0.714
0.906
0.767
0.833
0.362
0.712
0.402
0.470
0.250
0.544
0.766
0.445
0.505
0.820
0.142
0.596
0.276
0.076
0.156
0.650
0.305
0.683
0.537
0.674
0.172
0.084
0.741
0.731
0.567
0.473
0.802
0.093
0.794
0.617
0.518
0.143
0.261
0.783
0.080
0.669
0.351
0.567
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.396
0.095
0.108
0.109
0.119
0.121
0.133
0.167
0.212
0.191
0.205
0.192
0.217
0.231
0.215
0.229
0.250
0.207
0.244
0.217
0.218
0.231
0.271
0.245
0.284
0.254
0.293
0.257
0.244
0.312
0.320
0.326
0.318
0.340
0.270
0.351
0.357
0.352
0.322
0.342
0.375
0.327
0.383
0.360
0.385
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.443
0.758
0.799
0.695
0.837
0.732
0.774
0.350
0.629
0.381
0.437
0.239
0.496
0.658
0.411
0.458
0.681
0.136
0.525
0.257
0.072
0.146
0.552
0.278
0.568
0.476
0.557
0.158
0.080
0.588
0.577
0.463
0.397
0.604
0.085
0.593
0.481
0.416
0.125
0.222
0.570
0.070
0.501
0.289
0.435
A-38
APPENDIX A
: tables of data
Table (A-37) continued.

T/K
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.227
0.234
0.238
0.239
0.239
0.243
0.245
0.257
0.264
0.265
0.273
0.273
0.275
0.285
0.285
0.298
0.305
0.313
0.317
0.318
0.323
0.324
0.336
0.344
0.346
0.353
0.357
0.360
0.363
0.369
0.386
0.390
0.390
0.393
0.396
0.404
0.411
0.412
0.439
0.446
0.447
0.449
0.451
0.452
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.501
0.195
0.659
0.088
0.373
0.381
0.551
0.276
0.151
0.099
0.589
0.417
0.065
0.447
0.306
0.167
0.456
0.379
0.073
0.486
0.282
0.337
0.186
0.126
0.082
0.533
0.082
0.415
0.311
0.349
0.157
0.143
0.457
0.092
0.262
0.240
0.347
0.383
0.176
0.162
0.104
0.080
0.327
0.292
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.523
0.516
0.539
0.511
0.517
0.544
0.552
0.552
0.552
0.548
0.574
0.576
0.554
0.588
0.583
0.588
0.602
0.609
0.595
0.619
0.619
0.622
0.627
0.628
0.628
0.642
0.639
0.641
0.648
0.654
0.665
0.667
0.662
0.668
0.670
0.677
0.682
0.682
0.697
0.701
0.704
0.706
0.703
0.704
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.337
0.146
0.408
0.068
0.267
0.259
0.349
0.195
0.112
0.074
0.358
0.271
0.048
0.284
0.205
0.119
0.285
0.243
0.053
0.292
0.187
0.216
0.128
0.089
0.058
0.303
0.058
0.255
0.198
0.216
0.106
0.097
0.267
0.064
0.169
0.156
0.210
0.225
0.117
0.109
0.071
0.055
0.197
0.181
A-39
APPENDIX A
: tables of data
phase and UNIFAC model for liquid phase of for ternary
MTBE(1)+Ethanol(2)+2-Methyl-2-propanol(3) at 101.3 KPa. Temperature,T,
liquid phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.078
0.078
0.079
0.080
0.084
0.088
0.089
0.089
0.092
0.093
0.098
0.101
0.102
0.103
0.104
0.109
0.113
0.116
0.119
0.121
0.122
0.126
0.126
0.128
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.780
0.842
0.714
0.907
0.768
0.834
0.363
0.712
0.402
0.470
0.250
0.544
0.767
0.445
0.505
0.820
0.142
0.597
0.276
0.076
0.156
0.650
0.305
0.683
0.538
0.675
0.172
0.085
0.742
0.732
0.568
0.473
0.803
0.093
0.795
0.617
0.518
0.143
0.261
0.783
0.080
0.670
0.351
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.095
0.108
0.109
0.119
0.121
0.133
0.167
0.212
0.191
0.205
0.192
0.217
0.231
0.215
0.229
0.250
0.207
0.244
0.217
0.218
0.231
0.271
0.245
0.284
0.254
0.293
0.257
0.244
0.312
0.320
0.326
0.318
0.340
0.270
0.351
0.357
0.352
0.322
0.342
0.375
0.327
0.383
0.360
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.758
0.799
0.695
0.837
0.732
0.774
0.350
0.629
0.381
0.437
0.239
0.496
0.658
0.411
0.458
0.681
0.136
0.525
0.257
0.072
0.146
0.552
0.278
0.568
0.476
0.557
0.158
0.080
0.588
0.577
0.463
0.397
0.604
0.085
0.593
0.481
0.416
0.125
0.222
0.570
0.070
0.501
0.289
A-40
APPENDIX A
: tables of data

T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.129
0.226
0.234
0.238
0.239
0.239
0.242
0.244
0.257
0.264
0.265
0.272
0.272
0.274
0.284
0.284
0.298
0.304
0.312
0.316
0.318
0.323
0.324
0.335
0.343
0.345
0.353
0.356
0.359
0.362
0.368
0.385
0.389
0.389
0.392
0.395
0.403
0.411
0.412
0.438
0.445
0.446
0.448
0.450
0.451
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.568
0.502
0.195
0.660
0.088
0.373
0.381
0.551
0.276
0.151
0.099
0.590
0.417
0.065
0.447
0.306
0.167
0.457
0.379
0.073
0.487
0.282
0.337
0.187
0.126
0.082
0.534
0.082
0.415
0.311
0.349
0.157
0.143
0.458
0.092
0.262
0.240
0.347
0.383
0.176
0.162
0.104
0.080
0.328
0.293
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.385
0.523
0.516
0.539
0.511
0.517
0.544
0.552
0.552
0.552
0.548
0.574
0.576
0.554
0.588
0.583
0.588
0.602
0.609
0.595
0.619
0.619
0.622
0.627
0.628
0.628
0.642
0.639
0.641
0.648
0.654
0.665
0.667
0.662
0.668
0.670
0.677
0.682
0.682
0.697
0.701
0.704
0.706
0.703
0.704
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.435
0.337
0.146
0.408
0.068
0.267
0.259
0.349
0.195
0.112
0.074
0.358
0.271
0.048
0.284
0.205
0.119
0.285
0.243
0.053
0.292
0.187
0.216
0.128
0.089
0.058
0.303
0.058
0.255
0.198
0.216
0.106
0.097
0.267
0.064
0.169
0.156
0.210
0.225
0.117
0.109
0.071
0.055
0.197
0.181
A-41
APPENDIX A
: tables of data
WS mixing rule based on GE from NRTL model for
Ternary
MTBE(1)+Ethanol(2)+2-Methyl-2-propanol(3) at 101.3KPa.Temperature,T, liquid
phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.024
0.026
0.027
0.029
0.030
0.033
0.051
0.057
0.058
0.062
0.063
0.064
0.065
0.066
0.069
0.070
0.071
0.072
0.072
0.079
0.079
0.080
0.081
0.085
0.089
0.090
0.090
0.093
0.094
0.099
0.103
0.104
0.105
0.106
0.111
0.115
0.118
0.121
0.123
0.124
0.128
0.128
0.129
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.793
0.856
0.727
0.923
0.781
0.849
0.369
0.725
0.409
0.479
0.254
0.554
0.780
0.453
0.514
0.835
0.144
0.607
0.281
0.077
0.159
0.662
0.311
0.695
0.547
0.686
0.175
0.086
0.755
0.745
0.578
0.482
0.817
0.095
0.809
0.628
0.527
0.145
0.266
0.797
0.081
0.681
0.357
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.096
0.109
0.110
0.121
0.123
0.135
0.169
0.215
0.194
0.208
0.195
0.219
0.234
0.217
0.232
0.253
0.210
0.247
0.219
0.220
0.234
0.275
0.248
0.287
0.258
0.297
0.261
0.247
0.316
0.325
0.331
0.323
0.344
0.274
0.355
0.362
0.357
0.327
0.346
0.380
0.332
0.388
0.365
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.764
0.805
0.700
0.843
0.737
0.779
0.352
0.634
0.384
0.440
0.240
0.499
0.663
0.414
0.461
0.685
0.136
0.529
0.259
0.072
0.147
0.556
0.280
0.572
0.480
0.561
0.159
0.080
0.592
0.582
0.466
0.400
0.608
0.086
0.597
0.485
0.419
0.126
0.224
0.574
0.070
0.504
0.291
A-42
APPENDIX A
: tables of data

T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.131
0.230
0.237
0.241
0.242
0.242
0.246
0.248
0.261
0.268
0.269
0.277
0.277
0.279
0.288
0.288
0.302
0.309
0.317
0.321
0.323
0.328
0.329
0.340
0.348
0.350
0.358
0.362
0.365
0.368
0.374
0.391
0.395
0.395
0.398
0.401
0.409
0.417
0.418
0.444
0.452
0.453
0.455
0.457
0.458
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.578
0.510
0.199
0.672
0.090
0.380
0.388
0.561
0.281
0.153
0.101
0.600
0.424
0.066
0.455
0.312
0.170
0.465
0.386
0.074
0.495
0.287
0.343
0.190
0.129
0.083
0.543
0.083
0.422
0.316
0.355
0.160
0.145
0.466
0.094
0.267
0.244
0.353
0.390
0.179
0.165
0.106
0.081
0.333
0.298
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.390
0.530
0.523
0.546
0.518
0.523
0.551
0.559
0.559
0.559
0.555
0.582
0.584
0.562
0.596
0.590
0.596
0.610
0.617
0.603
0.627
0.627
0.631
0.636
0.637
0.637
0.650
0.647
0.649
0.656
0.663
0.674
0.676
0.671
0.677
0.679
0.686
0.691
0.691
0.707
0.710
0.713
0.715
0.712
0.713
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.438
0.339
0.147
0.410
0.068
0.269
0.261
0.351
0.197
0.113
0.074
0.361
0.273
0.048
0.286
0.207
0.120
0.287
0.244
0.053
0.294
0.188
0.218
0.129
0.090
0.058
0.306
0.058
0.257
0.200
0.218
0.107
0.098
0.269
0.064
0.170
0.157
0.212
0.226
0.118
0.110
0.071
0.055
0.199
0.182
A-43
APPENDIX A
: tables of data
WS mixing rule based on GE from UNIQUAC model for ternary MTBE
(1)+Ethanol(2)+2-Methyl-2-propanol(3) at 101.3 KPa.Temperature,T, liquid phase
xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.024
0.026
0.028
0.030
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.070
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.023
0.025
0.027
0.029
0.030
0.033
0.051
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.079
0.079
0.080
0.081
0.085
0.088
0.089
0.089
0.092
0.093
0.098
0.102
0.103
0.104
0.105
0.110
0.114
0.117
0.120
0.122
0.122
0.126
0.126
0.128
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.787
0.850
0.721
0.915
0.775
0.842
0.366
0.719
0.406
0.475
0.252
0.549
0.774
0.449
0.510
0.828
0.143
0.602
0.279
0.077
0.158
0.656
0.308
0.690
0.542
0.681
0.174
0.085
0.749
0.739
0.573
0.478
0.810
0.094
0.802
0.623
0.523
0.144
0.264
0.791
0.080
0.676
0.354
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.096
0.109
0.110
0.121
0.123
0.134
0.169
0.214
0.193
0.207
0.194
0.219
0.233
0.217
0.232
0.252
0.209
0.246
0.219
0.220
0.233
0.274
0.247
0.286
0.257
0.296
0.260
0.246
0.315
0.324
0.330
0.322
0.343
0.273
0.354
0.361
0.356
0.326
0.345
0.379
0.331
0.387
0.364
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.760
0.801
0.697
0.838
0.733
0.775
0.350
0.631
0.382
0.438
0.239
0.497
0.659
0.412
0.459
0.682
0.136
0.526
0.258
0.072
0.147
0.553
0.278
0.569
0.477
0.558
0.158
0.080
0.589
0.579
0.463
0.398
0.605
0.086
0.594
0.482
0.417
0.125
0.222
0.571
0.070
0.502
0.289
A-44
APPENDIX A
: tables of data

T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
0.130
0.227
0.235
0.239
0.240
0.240
0.244
0.246
0.259
0.265
0.266
0.274
0.274
0.276
0.286
0.286
0.299
0.306
0.314
0.318
0.320
0.325
0.326
0.337
0.345
0.347
0.355
0.359
0.362
0.365
0.370
0.388
0.392
0.392
0.395
0.398
0.405
0.413
0.414
0.440
0.448
0.449
0.451
0.453
0.454
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301
0.573
0.506
0.197
0.666
0.089
0.377
0.385
0.556
0.279
0.152
0.100
0.595
0.421
0.066
0.451
0.309
0.169
0.461
0.383
0.074
0.491
0.284
0.340
0.188
0.128
0.082
0.539
0.082
0.419
0.314
0.352
0.159
0.144
0.462
0.093
0.265
0.242
0.350
0.387
0.178
0.164
0.105
0.080
0.331
0.295
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
0.388
0.529
0.521
0.544
0.516
0.522
0.549
0.557
0.557
0.557
0.553
0.580
0.582
0.560
0.594
0.589
0.594
0.608
0.615
0.601
0.625
0.625
0.629
0.634
0.635
0.635
0.648
0.645
0.647
0.654
0.661
0.672
0.674
0.669
0.675
0.677
0.684
0.689
0.689
0.704
0.708
0.711
0.713
0.710
0.711
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
0.436
0.338
0.147
0.408
0.068
0.268
0.260
0.349
0.196
0.112
0.074
0.359
0.272
0.048
0.284
0.206
0.119
0.285
0.243
0.053
0.292
0.187
0.216
0.128
0.090
0.058
0.304
0.058
0.256
0.199
0.216
0.106
0.097
0.268
0.064
0.169
0.156
0.211
0.225
0.117
0.109
0.071
0.055
0.198
0.181
A-45
APPENDIX A
: tables of data

phase of ternary system Ethanol (1) +2-Methyl-2-propanol(2)+Octane(3) at
101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08
353.89
x1 lit.
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.160
0.257
x1 cal.
0.039
0.046
0.055
0.059
0.067
0.067
0.068
0.069
0.074
0.076
0.077
0.077
0.077
0.078
0.080
0.080
0.082
0.083
0.083
0.084
0.085
0.087
0.087
0.088
0.088
0.090
0.090
0.093
0.093
0.097
0.097
0.099
0.100
0.102
0.104
0.105
0.109
0.112
0.122
0.128
0.132
0.137
0.140
0.151
0.242
x2 lit.
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.460
0.099
x2 cal.
0.784
0.754
0.722
0.608
0.573
0.675
0.336
0.759
0.293
0.640
0.739
0.817
0.289
0.476
0.675
0.548
0.807
0.494
0.237
0.565
0.240
0.675
0.715
0.601
0.424
0.408
0.640
0.790
0.182
0.455
0.512
0.557
0.636
0.399
0.600
0.335
0.334
0.453
0.241
0.500
0.281
0.471
0.594
0.434
0.093
A-46
y1 lit.
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.283
0.669
y1 cal.
0.057
0.070
0.086
0.099
0.114
0.097
0.196
0.087
0.231
0.114
0.099
0.089
0.235
0.156
0.112
0.133
0.097
0.158
0.293
0.141
0.287
0.120
0.112
0.135
0.194
0.200
0.132
0.108
0.366
0.187
0.174
0.162
0.144
0.221
0.156
0.264
0.261
0.217
0.357
0.216
0.343
0.241
0.200
0.272
0.642
y2 lit.
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.543
0.128
y2 cal.
0.838
0.819
0.796
0.716
0.694
0.741
0.557
0.786
0.517
0.718
0.769
0.825
0.509
0.627
0.730
0.665
0.814
0.633
0.456
0.667
0.450
0.724
0.748
0.685
0.580
0.572
0.701
0.799
0.367
0.596
0.624
0.648
0.690
0.555
0.667
0.497
0.500
0.571
0.391
0.586
0.418
0.556
0.631
0.521
0.123
APPENDIX A
: tables of data

T/K
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
x1 lit.
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
x1 cal.
0.244
0.254
0.258
0.260
0.265
0.268
0.268
0.278
0.293
0.295
0.295
0.298
0.319
0.323
0.334
0.336
0.338
0.352
0.353
0.362
0.380
0.382
0.385
0.395
0.401
0.408
0.408
0.419
0.419
0.422
0.430
0.430
0.440
0.444
0.448
0.455
0.455
0.461
0.462
0.469
0.474
0.485
0.486
x2 lit.
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
x2 cal.
0.471
0.301
0.564
0.532
0.286
0.209
0.062
0.406
0.270
0.478
0.200
0.067
0.091
0.400
0.181
0.421
0.342
0.256
0.475
0.335
0.476
0.268
0.079
0.420
0.166
0.264
0.378
0.432
0.429
0.248
0.188
0.066
0.360
0.458
0.302
0.065
0.315
0.380
0.377
0.071
0.164
0.302
0.414
A-47
y1 lit.
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
y1 cal.
0.346
0.453
0.316
0.331
0.474
0.539
0.690
0.404
0.508
0.381
0.560
0.693
0.677
0.440
0.599
0.434
0.481
0.543
0.419
0.500
0.438
0.551
0.706
0.469
0.633
0.564
0.497
0.482
0.482
0.581
0.627
0.723
0.523
0.490
0.559
0.728
0.555
0.527
0.528
0.726
0.658
0.576
0.535
y2 lit.
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
y2 cal.
0.474
0.332
0.544
0.515
0.312
0.240
0.078
0.406
0.281
0.456
0.219
0.079
0.100
0.380
0.184
0.395
0.327
0.250
0.439
0.312
0.435
0.249
0.077
0.379
0.155
0.240
0.339
0.386
0.385
0.222
0.168
0.060
0.316
0.419
0.262
0.058
0.272
0.332
0.329
0.061
0.140
0.256
0.368
APPENDIX A
: tables of data
Table (A-42) Isobaric vapor liquid equilibrium data when using PR-EOS for two
phase of ternary system Ethanol(1)+2-Methyl-2-propanol(2)+Octane(3) at
101.3KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08
x1 lit.
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.160
x1 cal.
0.040
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.112
0.115
0.125
0.131
0.135
0.141
0.144
0.154
x2 lit.
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.460
x2 cal.
y1 lit.
0.797
0.767
0.735
0.619
0.583
0.687
0.341
0.772
0.298
0.651
0.752
0.830
0.293
0.484
0.687
0.557
0.821
0.503
0.241
0.574
0.244
0.687
0.727
0.611
0.432
0.415
0.651
0.804
0.185
0.462
0.521
0.567
0.646
0.406
0.610
0.340
0.339
0.460
0.246
0.508
0.286
0.479
0.604
0.441
A-48
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.283
y1 cal.
0.057
0.070
0.086
0.099
0.114
0.097
0.196
0.087
0.232
0.114
0.099
0.089
0.235
0.157
0.112
0.134
0.097
0.159
0.293
0.141
0.287
0.120
0.112
0.136
0.194
0.200
0.133
0.108
0.366
0.187
0.174
0.162
0.144
0.221
0.157
0.264
0.261
0.217
0.357
0.216
0.343
0.241
0.200
0.272
y2 lit.
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.543
y2 cal.
0.846
0.827
0.803
0.723
0.701
0.748
0.562
0.794
0.522
0.725
0.776
0.832
0.514
0.633
0.737
0.671
0.822
0.639
0.461
0.673
0.454
0.731
0.755
0.691
0.586
0.577
0.708
0.806
0.371
0.602
0.630
0.654
0.697
0.560
0.674
0.501
0.504
0.576
0.395
0.591
0.422
0.561
0.637
0.526
APPENDIX A
: tables of data

T/K
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
x1 lit.
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
x1 cal.
0.248
0.250
0.260
0.264
0.266
0.272
0.275
0.275
0.284
0.300
0.303
0.303
0.306
0.327
0.331
0.342
0.344
0.346
0.361
0.362
0.371
0.389
0.391
0.394
0.405
0.411
0.418
0.418
0.429
0.429
0.432
0.441
0.441
0.451
0.455
0.459
0.466
0.467
0.472
0.473
0.480
0.486
0.496
0.497
x2 lit.
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
x2 cal.
y1 lit.
0.095
0.479
0.306
0.573
0.541
0.291
0.213
0.063
0.413
0.274
0.486
0.203
0.068
0.092
0.407
0.184
0.428
0.348
0.261
0.483
0.340
0.484
0.272
0.081
0.427
0.169
0.269
0.385
0.439
0.436
0.252
0.191
0.067
0.366
0.466
0.307
0.066
0.320
0.386
0.384
0.072
0.167
0.307
0.421
A-49
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
y1 cal.
0.643
0.346
0.454
0.316
0.332
0.475
0.539
0.691
0.405
0.508
0.382
0.560
0.694
0.678
0.440
0.600
0.434
0.481
0.544
0.419
0.501
0.438
0.552
0.706
0.470
0.633
0.565
0.498
0.482
0.482
0.581
0.628
0.724
0.524
0.490
0.559
0.728
0.555
0.528
0.529
0.727
0.658
0.577
0.535
y2 lit.
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
y2 cal.
0.124
0.478
0.335
0.549
0.520
0.315
0.242
0.078
0.409
0.284
0.461
0.221
0.079
0.101
0.383
0.186
0.399
0.330
0.253
0.443
0.315
0.439
0.252
0.077
0.382
0.157
0.242
0.342
0.389
0.388
0.224
0.169
0.061
0.319
0.423
0.264
0.058
0.275
0.335
0.332
0.062
0.141
0.258
0.372
APPENDIX A
: tables of data
vapor phase and NRTL model for liquid phase of ternary Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.6
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08
x1 lit.
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.160
x1 cal.
0.040
0.048
0.057
0.062
0.069
0.069
0.070
0.071
0.077
0.079
0.080
0.080
0.080
0.081
0.083
0.083
0.085
0.086
0.086
0.087
0.088
0.090
0.090
0.091
0.092
0.094
0.094
0.097
0.097
0.101
0.101
0.103
0.104
0.106
0.107
0.109
0.113
0.116
0.127
0.133
0.137
0.143
0.146
0.156
x2 lit.
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.460
x2 cal.
y1 lit.
0.799
0.770
0.737
0.620
0.585
0.689
0.342
0.774
0.299
0.653
0.754
0.833
0.294
0.486
0.689
0.559
0.823
0.504
0.241
0.576
0.244
0.689
0.729
0.613
0.433
0.417
0.653
0.806
0.186
0.464
0.522
0.569
0.648
0.407
0.612
0.342
0.341
0.462
0.246
0.510
0.287
0.480
0.606
0.443
A-50
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.283
y1 cal.
0.057
0.070
0.086
0.099
0.114
0.097
0.195
0.087
0.231
0.114
0.099
0.089
0.235
0.156
0.112
0.133
0.097
0.158
0.292
0.141
0.286
0.120
0.112
0.135
0.194
0.199
0.132
0.107
0.365
0.187
0.173
0.162
0.144
0.220
0.156
0.263
0.261
0.217
0.356
0.216
0.342
0.240
0.199
0.271
y2 lit.
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.543
y2 cal.
0.847
0.828
0.804
0.724
0.702
0.749
0.563
0.795
0.522
0.726
0.777
0.833
0.515
0.634
0.737
0.672
0.823
0.640
0.461
0.673
0.454
0.732
0.756
0.692
0.586
0.578
0.708
0.807
0.371
0.603
0.631
0.655
0.698
0.561
0.674
0.502
0.505
0.577
0.395
0.592
0.422
0.562
0.638
0.526
APPENDIX A
: tables of data

T/K
353.89
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
x1 lit.
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
x1 cal.
0.251
0.253
0.264
0.268
0.270
0.276
0.278
0.278
0.288
0.304
0.307
0.307
0.310
0.331
0.335
0.347
0.349
0.351
0.365
0.366
0.376
0.395
0.397
0.400
0.410
0.416
0.424
0.424
0.435
0.435
0.438
0.446
0.446
0.457
0.461
0.465
0.472
0.473
0.479
0.480
0.487
0.492
0.503
0.504
x2 lit.
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
x2 cal.
y1 lit.
0.095
0.480
0.307
0.575
0.543
0.291
0.214
0.063
0.415
0.275
0.488
0.204
0.068
0.092
0.408
0.185
0.429
0.349
0.262
0.485
0.342
0.486
0.273
0.081
0.428
0.169
0.269
0.386
0.441
0.438
0.253
0.191
0.067
0.367
0.468
0.308
0.066
0.321
0.388
0.385
0.072
0.167
0.308
0.422
A-51
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
y1 cal.
0.641
0.345
0.452
0.315
0.331
0.473
0.537
0.689
0.403
0.507
0.380
0.559
0.692
0.675
0.439
0.598
0.433
0.480
0.542
0.418
0.499
0.437
0.550
0.704
0.468
0.631
0.563
0.496
0.481
0.481
0.580
0.626
0.721
0.522
0.489
0.558
0.726
0.554
0.526
0.527
0.724
0.656
0.575
0.534
y2 lit.
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
y2 cal.
0.124
0.479
0.335
0.549
0.520
0.315
0.242
0.078
0.410
0.284
0.461
0.221
0.079
0.101
0.384
0.186
0.399
0.330
0.253
0.444
0.315
0.440
0.252
0.078
0.383
0.157
0.242
0.342
0.390
0.389
0.224
0.170
0.061
0.320
0.423
0.265
0.058
0.275
0.335
0.332
0.062
0.141
0.259
0.372
APPENDIX A
: tables of data
vapor phase and UNIQUAC model for liquid phase of ternary system
Ethanol(1)+2-Methyl-2-propanol(2)+Octane(3) at 101.3KPa.Temperature,T, liquid
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.6
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.040
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.112
0.115
0.125
0.131
0.135
0.141
0.144
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.794
0.764
0.732
0.616
0.581
0.684
0.340
0.769
0.297
0.648
0.749
0.827
0.292
0.482
0.684
0.555
0.817
0.500
0.240
0.572
0.243
0.684
0.724
0.608
0.430
0.414
0.648
0.800
0.184
0.460
0.519
0.564
0.644
0.404
0.607
0.339
0.338
0.458
0.244
0.506
0.285
0.477
0.602
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.057
0.070
0.086
0.099
0.114
0.097
0.195
0.087
0.231
0.114
0.099
0.089
0.235
0.156
0.112
0.133
0.097
0.158
0.292
0.141
0.286
0.120
0.112
0.135
0.194
0.199
0.132
0.107
0.365
0.187
0.173
0.162
0.144
0.220
0.156
0.263
0.261
0.217
0.356
0.216
0.342
0.240
0.199
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.847
0.828
0.804
0.724
0.702
0.749
0.563
0.795
0.522
0.726
0.777
0.833
0.515
0.634
0.737
0.672
0.823
0.640
0.461
0.673
0.454
0.732
0.756
0.692
0.586
0.578
0.708
0.807
0.371
0.603
0.631
0.655
0.698
0.561
0.674
0.502
0.505
0.577
0.395
0.592
0.422
0.562
0.638
A-52
APPENDIX A
: tables of data

T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.08
353.89
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
0.154
0.248
0.250
0.260
0.264
0.266
0.272
0.275
0.275
0.284
0.300
0.303
0.303
0.306
0.327
0.331
0.342
0.344
0.346
0.361
0.362
0.371
0.389
0.391
0.394
0.405
0.411
0.418
0.418
0.429
0.429
0.432
0.441
0.441
0.451
0.455
0.459
0.466
0.467
0.472
0.473
0.480
0.486
0.496
0.497
0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
0.439
0.095
0.477
0.305
0.571
0.539
0.289
0.212
0.063
0.412
0.273
0.484
0.202
0.068
0.092
0.405
0.183
0.426
0.347
0.260
0.481
0.339
0.482
0.271
0.080
0.425
0.168
0.267
0.383
0.437
0.435
0.251
0.190
0.067
0.365
0.464
0.306
0.066
0.319
0.385
0.382
0.072
0.166
0.306
0.419
0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
0.271
0.641
0.345
0.452
0.315
0.331
0.473
0.537
0.689
0.403
0.507
0.380
0.559
0.692
0.675
0.439
0.598
0.433
0.480
0.542
0.418
0.499
0.437
0.550
0.704
0.468
0.631
0.563
0.496
0.481
0.481
0.580
0.626
0.721
0.522
0.489
0.558
0.726
0.554
0.526
0.527
0.724
0.656
0.575
0.534
0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
0.526
0.124
0.479
0.335
0.549
0.520
0.315
0.242
0.078
0.410
0.284
0.461
0.221
0.079
0.101
0.384
0.186
0.399
0.330
0.253
0.444
0.315
0.440
0.252
0.078
0.383
0.157
0.242
0.342
0.390
0.389
0.224
0.170
0.061
0.320
0.423
0.265
0.058
0.275
0.335
0.332
0.062
0.141
0.259
0.372
A-53
APPENDIX A
: tables of data
vapor phase and UNIFAC model for liquid phase of ternary syetem Ethanol(1)+2Methyl-2-propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi,
vapor phase,yi
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.039
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.086
0.088
0.088
0.089
0.090
0.092
0.092
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.111
0.114
0.125
0.131
0.135
0.140
0.143
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.791
0.762
0.729
0.614
0.579
0.682
0.339
0.766
0.296
0.646
0.746
0.824
0.291
0.481
0.682
0.553
0.815
0.499
0.239
0.570
0.242
0.682
0.722
0.606
0.428
0.412
0.646
0.798
0.184
0.459
0.517
0.563
0.642
0.403
0.605
0.338
0.337
0.457
0.244
0.505
0.284
0.475
0.600
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.057
0.070
0.086
0.099
0.114
0.097
0.195
0.087
0.231
0.114
0.099
0.089
0.235
0.156
0.112
0.133
0.097
0.158
0.292
0.141
0.286
0.120
0.112
0.135
0.194
0.199
0.132
0.107
0.365
0.187
0.173
0.162
0.144
0.220
0.156
0.263
0.261
0.217
0.356
0.216
0.342
0.240
0.199
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.847
0.828
0.804
0.724
0.702
0.749
0.563
0.795
0.522
0.726
0.777
0.833
0.515
0.634
0.737
0.672
0.823
0.640
0.461
0.673
0.454
0.732
0.756
0.692
0.586
0.578
0.708
0.807
0.371
0.603
0.631
0.655
0.698
0.561
0.674
0.502
0.505
0.577
0.395
0.592
0.422
0.562
0.638
A-54
APPENDIX A
: tables of data

T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
0.154
0.247
0.249
0.259
0.263
0.265
0.271
0.274
0.274
0.283
0.299
0.302
0.302
0.305
0.326
0.330
0.341
0.343
0.345
0.359
0.360
0.370
0.388
0.390
0.393
0.404
0.409
0.417
0.417
0.428
0.428
0.431
0.439
0.439
0.450
0.454
0.457
0.464
0.465
0.471
0.472
0.479
0.484
0.495
0.496
0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
0.438
0.094
0.475
0.304
0.569
0.537
0.288
0.211
0.063
0.410
0.272
0.483
0.202
0.068
0.091
0.404
0.183
0.425
0.346
0.259
0.480
0.338
0.481
0.270
0.080
0.424
0.168
0.267
0.382
0.436
0.433
0.250
0.189
0.067
0.364
0.463
0.305
0.066
0.318
0.384
0.381
0.071
0.166
0.305
0.418
0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
0.271
0.641
0.345
0.452
0.315
0.331
0.473
0.537
0.689
0.403
0.507
0.380
0.559
0.692
0.675
0.439
0.598
0.433
0.480
0.542
0.418
0.499
0.437
0.550
0.704
0.468
0.631
0.563
0.496
0.481
0.481
0.580
0.626
0.721
0.522
0.489
0.558
0.726
0.554
0.526
0.527
0.724
0.656
0.575
0.534
0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
0.526
0.124
0.479
0.335
0.549
0.520
0.315
0.242
0.078
0.410
0.284
0.461
0.221
0.079
0.101
0.384
0.186
0.399
0.330
0.253
0.444
0.315
0.440
0.252
0.078
0.383
0.157
0.242
0.342
0.390
0.389
0.224
0.170
0.061
0.320
0.423
0.265
0.058
0.275
0.335
0.332
0.062
0.141
0.259
0.372
A-55
APPENDIX A
: tables of data
phase and NRTL model for liquid phase of ternary Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,
yi
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.040
0.047
0.056
0.061
0.069
0.069
0.070
0.071
0.077
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.096
0.096
0.100
0.100
0.102
0.103
0.105
0.107
0.109
0.112
0.115
0.126
0.132
0.136
0.141
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.809
0.779
0.746
0.628
0.592
0.697
0.347
0.784
0.303
0.661
0.764
0.843
0.298
0.492
0.697
0.566
0.834
0.510
0.244
0.583
0.247
0.697
0.738
0.620
0.438
0.422
0.661
0.816
0.188
0.469
0.529
0.576
0.656
0.412
0.619
0.346
0.345
0.468
0.249
0.516
0.290
0.486
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.057
0.071
0.087
0.100
0.115
0.098
0.198
0.088
0.234
0.115
0.100
0.090
0.237
0.158
0.113
0.135
0.098
0.160
0.296
0.142
0.290
0.121
0.113
0.137
0.196
0.202
0.134
0.109
0.369
0.189
0.175
0.164
0.145
0.223
0.158
0.266
0.264
0.219
0.360
0.218
0.346
0.243
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.855
0.835
0.812
0.731
0.708
0.756
0.568
0.802
0.527
0.733
0.784
0.841
0.519
0.640
0.744
0.678
0.830
0.645
0.466
0.680
0.459
0.738
0.763
0.698
0.592
0.583
0.715
0.815
0.375
0.608
0.637
0.661
0.704
0.566
0.681
0.507
0.510
0.582
0.399
0.598
0.426
0.567
A-56
APPENDIX A
: tables of data
Table(A-46) continued.
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
355.58
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
0.149
0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
0.144
0.155
0.249
0.251
0.262
0.266
0.267
0.273
0.276
0.276
0.286
0.301
0.304
0.304
0.307
0.328
0.332
0.344
0.346
0.348
0.362
0.363
0.373
0.391
0.393
0.396
0.407
0.413
0.421
0.421
0.431
0.431
0.434
0.443
0.443
0.453
0.457
0.461
0.468
0.469
0.475
0.476
0.483
0.488
0.499
0.500
0.630
0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
0.614
0.448
0.096
0.486
0.311
0.582
0.549
0.295
0.216
0.064
0.420
0.279
0.494
0.206
0.069
0.094
0.413
0.187
0.434
0.354
0.265
0.491
0.346
0.492
0.277
0.082
0.433
0.171
0.273
0.391
0.446
0.443
0.256
0.194
0.068
0.372
0.473
0.312
0.067
0.325
0.393
0.390
0.073
0.169
0.312
0.428
0.208
0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
0.202
0.274
0.648
0.349
0.457
0.319
0.334
0.479
0.544
0.697
0.408
0.513
0.385
0.565
0.700
0.683
0.444
0.605
0.438
0.485
0.548
0.422
0.505
0.442
0.556
0.712
0.474
0.639
0.570
0.502
0.486
0.486
0.586
0.633
0.730
0.528
0.494
0.564
0.735
0.560
0.532
0.533
0.733
0.664
0.581
0.540
0.658
0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
0.644
0.531
0.125
0.483
0.338
0.555
0.525
0.318
0.245
0.079
0.414
0.287
0.466
0.223
0.080
0.102
0.387
0.188
0.403
0.333
0.255
0.448
0.318
0.444
0.254
0.078
0.386
0.158
0.245
0.345
0.393
0.392
0.226
0.171
0.062
0.323
0.427
0.267
0.059
0.278
0.338
0.335
0.063
0.143
0.261
0.376
A-57
APPENDIX A
: tables of data
phase and UNIQUAC model for liquid phase of ternary Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,
yi
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.040
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.112
0.115
0.125
0.131
0.135
0.141
0.144
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.804
0.774
0.741
0.624
0.589
0.693
0.345
0.779
0.301
0.657
0.759
0.838
0.296
0.489
0.693
0.562
0.829
0.507
0.243
0.580
0.246
0.693
0.734
0.617
0.436
0.419
0.657
0.811
0.187
0.467
0.526
0.572
0.652
0.409
0.616
0.344
0.343
0.465
0.248
0.513
0.288
0.483
0.610
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.057
0.071
0.087
0.100
0.115
0.098
0.198
0.088
0.234
0.115
0.100
0.090
0.237
0.158
0.113
0.135
0.098
0.160
0.296
0.142
0.290
0.121
0.113
0.137
0.196
0.202
0.134
0.109
0.369
0.189
0.175
0.164
0.145
0.223
0.158
0.266
0.264
0.219
0.360
0.218
0.346
0.243
0.202
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.855
0.835
0.812
0.731
0.708
0.756
0.568
0.802
0.527
0.733
0.784
0.841
0.519
0.640
0.744
0.678
0.830
0.645
0.466
0.680
0.459
0.738
0.763
0.698
0.592
0.583
0.715
0.815
0.375
0.608
0.637
0.661
0.704
0.566
0.681
0.507
0.510
0.582
0.399
0.598
0.426
0.567
0.644
A-58
APPENDIX A
: tables of data
Table(A-47)continued.
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
0.154
0.248
0.250
0.260
0.264
0.266
0.272
0.275
0.275
0.284
0.300
0.303
0.303
0.306
0.327
0.331
0.342
0.344
0.346
0.361
0.362
0.371
0.389
0.391
0.394
0.405
0.411
0.418
0.418
0.429
0.429
0.432
0.441
0.441
0.451
0.455
0.459
0.466
0.467
0.472
0.473
0.480
0.486
0.496
0.497
0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
0.445
0.096
0.483
0.309
0.579
0.546
0.293
0.215
0.064
0.417
0.277
0.491
0.205
0.069
0.093
0.410
0.186
0.432
0.351
0.263
0.488
0.344
0.489
0.275
0.081
0.431
0.170
0.271
0.388
0.443
0.440
0.255
0.193
0.068
0.370
0.470
0.310
0.067
0.323
0.390
0.387
0.073
0.168
0.310
0.425
0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
0.274
0.648
0.349
0.457
0.319
0.334
0.479
0.544
0.697
0.408
0.513
0.385
0.565
0.700
0.683
0.444
0.605
0.438
0.485
0.548
0.422
0.505
0.442
0.556
0.712
0.474
0.639
0.570
0.502
0.486
0.486
0.586
0.633
0.730
0.528
0.494
0.564
0.735
0.560
0.532
0.533
0.733
0.664
0.581
0.540
0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
0.531
0.125
0.483
0.338
0.555
0.525
0.318
0.245
0.079
0.414
0.287
0.466
0.223
0.080
0.102
0.387
0.188
0.403
0.333
0.255
0.448
0.318
0.444
0.254
0.078
0.386
0.158
0.245
0.345
0.393
0.392
0.226
0.171
0.062
0.323
0.427
0.267
0.059
0.278
0.338
0.335
0.063
0.143
0.261
0.376
A-59
APPENDIX A
: tables of data
phase and UNIFAC model for liquid phase of for ternary Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,
yi
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.039
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.089
0.090
0.092
0.092
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.112
0.114
0.125
0.131
0.135
0.140
0.143
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.807
0.777
0.744
0.626
0.590
0.695
0.346
0.782
0.302
0.659
0.761
0.841
0.297
0.490
0.695
0.564
0.831
0.509
0.244
0.582
0.247
0.695
0.736
0.619
0.437
0.420
0.659
0.814
0.187
0.468
0.527
0.574
0.654
0.411
0.618
0.345
0.344
0.466
0.249
0.515
0.289
0.485
0.612
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.057
0.071
0.087
0.100
0.115
0.098
0.198
0.088
0.234
0.115
0.100
0.090
0.237
0.158
0.113
0.135
0.098
0.160
0.296
0.142
0.290
0.121
0.113
0.137
0.196
0.202
0.134
0.109
0.369
0.189
0.175
0.164
0.145
0.223
0.158
0.266
0.264
0.219
0.360
0.218
0.346
0.243
0.202
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.855
0.835
0.812
0.731
0.708
0.756
0.568
0.802
0.527
0.733
0.784
0.841
0.519
0.640
0.744
0.678
0.830
0.645
0.466
0.680
0.459
0.738
0.763
0.698
0.592
0.583
0.715
0.815
0.375
0.608
0.637
0.661
0.704
0.566
0.681
0.507
0.510
0.582
0.399
0.598
0.426
0.567
0.644
A-60
APPENDIX A
: tables of data

T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
0.154
0.247
0.249
0.260
0.264
0.266
0.271
0.274
0.274
0.284
0.299
0.302
0.302
0.305
0.326
0.330
0.342
0.343
0.345
0.360
0.361
0.370
0.389
0.391
0.393
0.404
0.410
0.418
0.418
0.428
0.428
0.431
0.440
0.440
0.450
0.454
0.458
0.465
0.466
0.471
0.472
0.479
0.485
0.495
0.496
0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
0.447
0.096
0.485
0.310
0.581
0.548
0.294
0.216
0.064
0.419
0.278
0.492
0.206
0.069
0.093
0.412
0.186
0.433
0.352
0.264
0.489
0.345
0.490
0.276
0.082
0.432
0.171
0.272
0.389
0.445
0.442
0.255
0.193
0.068
0.371
0.472
0.311
0.067
0.324
0.391
0.388
0.073
0.169
0.311
0.426
0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
0.274
0.648
0.349
0.457
0.319
0.334
0.479
0.544
0.697
0.408
0.513
0.385
0.565
0.700
0.683
0.444
0.605
0.438
0.485
0.548
0.422
0.505
0.442
0.556
0.712
0.474
0.639
0.570
0.502
0.486
0.486
0.586
0.633
0.730
0.528
0.494
0.564
0.735
0.560
0.532
0.533
0.733
0.664
0.581
0.540
0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
0.531
0.125
0.483
0.338
0.555
0.525
0.318
0.245
0.079
0.414
0.287
0.466
0.223
0.080
0.102
0.387
0.188
0.403
0.333
0.255
0.448
0.318
0.444
0.254
0.078
0.386
0.158
0.245
0.345
0.393
0.392
0.226
0.171
0.062
0.323
0.427
0.267
0.059
0.278
0.338
0.335
0.063
0.143
0.261
0.376
A-61
APPENDIX A
: tables of data
WS mixing rule based on GE from NRTL model for Ternary Ethanol(1)+2-Methyl2-propanol(2)+Octane(3) at 101.3KPa.Temperature,T, liquid phase xi, vapor phase,
yi
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.040
0.048
0.056
0.061
0.069
0.069
0.070
0.071
0.077
0.079
0.080
0.080
0.080
0.081
0.083
0.083
0.085
0.086
0.086
0.087
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.096
0.096
0.100
0.100
0.102
0.103
0.105
0.107
0.109
0.113
0.116
0.126
0.132
0.136
0.142
0.145
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.819
0.788
0.755
0.635
0.599
0.705
0.351
0.793
0.306
0.669
0.772
0.853
0.301
0.497
0.705
0.572
0.843
0.516
0.247
0.590
0.250
0.705
0.747
0.627
0.443
0.427
0.669
0.825
0.190
0.475
0.535
0.582
0.664
0.417
0.626
0.350
0.349
0.473
0.252
0.522
0.294
0.492
0.621
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.058
0.071
0.088
0.101
0.117
0.099
0.200
0.089
0.236
0.117
0.101
0.091
0.240
0.160
0.115
0.136
0.099
0.162
0.299
0.144
0.293
0.122
0.115
0.138
0.198
0.204
0.135
0.110
0.373
0.191
0.177
0.165
0.147
0.225
0.160
0.269
0.266
0.221
0.364
0.220
0.350
0.246
0.204
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.861
0.841
0.818
0.736
0.713
0.761
0.572
0.808
0.531
0.738
0.790
0.847
0.523
0.644
0.750
0.683
0.836
0.650
0.469
0.685
0.462
0.744
0.768
0.703
0.596
0.587
0.720
0.821
0.377
0.613
0.641
0.666
0.709
0.570
0.686
0.510
0.513
0.586
0.402
0.602
0.429
0.571
0.648
A-62
APPENDIX A
: tables of data

T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
0.156
0.250
0.252
0.262
0.266
0.268
0.274
0.277
0.277
0.287
0.302
0.305
0.305
0.308
0.330
0.333
0.345
0.347
0.349
0.364
0.365
0.374
0.393
0.395
0.398
0.408
0.414
0.422
0.422
0.433
0.433
0.435
0.444
0.444
0.455
0.459
0.463
0.469
0.470
0.476
0.477
0.484
0.490
0.501
0.502
0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
0.453
0.098
0.492
0.314
0.589
0.556
0.298
0.219
0.065
0.425
0.282
0.499
0.209
0.070
0.095
0.418
0.189
0.439
0.358
0.268
0.496
0.350
0.497
0.280
0.083
0.438
0.173
0.276
0.395
0.451
0.448
0.259
0.196
0.069
0.376
0.479
0.315
0.068
0.329
0.397
0.394
0.074
0.171
0.315
0.432
0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
0.277
0.655
0.352
0.462
0.322
0.338
0.484
0.549
0.704
0.412
0.518
0.389
0.571
0.707
0.690
0.448
0.611
0.443
0.490
0.554
0.427
0.510
0.446
0.562
0.720
0.479
0.645
0.576
0.507
0.491
0.491
0.592
0.639
0.737
0.534
0.499
0.570
0.742
0.566
0.537
0.538
0.740
0.671
0.587
0.545
0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
0.535
0.126
0.487
0.341
0.558
0.529
0.320
0.246
0.080
0.417
0.289
0.469
0.225
0.081
0.102
0.390
0.189
0.406
0.336
0.257
0.451
0.320
0.447
0.256
0.079
0.389
0.160
0.246
0.348
0.396
0.395
0.228
0.172
0.062
0.325
0.430
0.269
0.059
0.280
0.341
0.338
0.063
0.144
0.263
0.378
A-63
APPENDIX A
: tables of data
WS mixing rule based on GE from UNIQUAC model for ternary Ethanol(1)+2Methyl-2-propanol(2)+Octane(3) at 101.3KPa.Temperature,T, liquid phase xi,
vapor phase, yi
T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.040
0.047
0.056
0.061
0.069
0.069
0.070
0.071
0.077
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.096
0.096
0.100
0.100
0.102
0.103
0.105
0.107
0.109
0.112
0.115
0.126
0.132
0.136
0.141
0.144
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.814
0.783
0.750
0.631
0.595
0.701
0.349
0.788
0.304
0.665
0.768
0.848
0.300
0.494
0.701
0.569
0.838
0.513
0.246
0.586
0.249
0.701
0.742
0.624
0.441
0.424
0.665
0.820
0.189
0.472
0.532
0.579
0.660
0.414
0.623
0.348
0.347
0.470
0.251
0.519
0.292
0.489
0.617
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.058
0.071
0.088
0.101
0.116
0.099
0.200
0.089
0.236
0.116
0.101
0.091
0.240
0.159
0.114
0.136
0.099
0.161
0.298
0.144
0.292
0.122
0.114
0.138
0.198
0.203
0.135
0.110
0.373
0.191
0.177
0.165
0.147
0.225
0.159
0.269
0.266
0.221
0.364
0.220
0.349
0.245
0.203
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.857
0.838
0.814
0.733
0.710
0.758
0.570
0.804
0.529
0.735
0.787
0.844
0.521
0.642
0.747
0.680
0.833
0.647
0.467
0.682
0.460
0.741
0.765
0.700
0.594
0.585
0.717
0.817
0.376
0.610
0.639
0.663
0.706
0.568
0.683
0.508
0.511
0.584
0.400
0.599
0.428
0.569
0.645
A-64
APPENDIX A
: tables of data

T/K
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
0.155
0.249
0.251
0.262
0.266
0.267
0.273
0.276
0.276
0.286
0.301
0.304
0.304
0.307
0.328
0.332
0.344
0.346
0.348
0.362
0.363
0.373
0.391
0.393
0.396
0.407
0.413
0.421
0.421
0.431
0.431
0.434
0.443
0.443
0.453
0.457
0.461
0.468
0.469
0.475
0.476
0.483
0.488
0.499
0.500
0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
0.450
0.097
0.489
0.312
0.585
0.552
0.297
0.217
0.065
0.422
0.280
0.496
0.208
0.070
0.094
0.415
0.188
0.437
0.355
0.266
0.493
0.348
0.494
0.278
0.082
0.436
0.172
0.274
0.393
0.448
0.445
0.257
0.195
0.069
0.374
0.476
0.313
0.068
0.327
0.395
0.392
0.073
0.170
0.313
0.430
0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
0.277
0.654
0.352
0.462
0.322
0.337
0.483
0.549
0.703
0.412
0.517
0.388
0.570
0.706
0.689
0.448
0.610
0.442
0.490
0.554
0.426
0.510
0.446
0.561
0.719
0.478
0.645
0.575
0.507
0.491
0.491
0.592
0.639
0.736
0.533
0.499
0.569
0.741
0.565
0.537
0.538
0.739
0.670
0.587
0.545
0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
0.533
0.126
0.485
0.339
0.556
0.527
0.319
0.245
0.079
0.415
0.287
0.467
0.224
0.080
0.102
0.388
0.188
0.404
0.335
0.256
0.449
0.319
0.445
0.255
0.078
0.387
0.159
0.245
0.346
0.394
0.393
0.227
0.172
0.062
0.324
0.429
0.268
0.059
0.279
0.339
0.336
0.063
0.143
0.262
0.377
A-65
APPENDIX A
: tables of data

phase of ternary system MTBE (1) +Ethanol (2) + Octane (3) at 101.3KPa.
Temperature,T, liquid phase xi, vapor phase,yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
x1 lit.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
x1 cal.
0.0368
0.0401
0.0430
0.0438
0.0440
0.0461
0.0481
0.0489
0.0535
0.0555
0.0613
0.0679
0.0687
0.0716
0.0730
0.0737
0.0765
0.0803
0.0850
0.0873
0.0876
0.0886
0.0954
0.0993
0.1002
0.1058
0.1109
0.1128
0.1130
0.1265
0.1297
0.1343
0.1393
0.1398
0.1402
0.1452
0.1524
0.1554
x2 lit.
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
x2 cal.
0.8667
0.6395
0.6774
0.2514
0.8540
0.7136
0.8446
0.2891
0.3230
0.5721
0.6241
0.6806
0.5480
0.8286
0.7193
0.5862
0.4689
0.6251
0.8103
0.3267
0.5352
0.0706
0.3576
0.1913
0.0861
0.3965
0.8005
0.2264
0.1105
0.4495
0.6640
0.5467
0.7635
0.7006
0.4901
0.5832
0.5278
0.6201
A-66
y1 lit.
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
y1 cal.
0.1334
0.0939
0.1049
0.0849
0.1475
0.1181
0.1659
0.0938
0.1029
0.1209
0.1398
0.1646
0.1431
0.2277
0.1868
0.1593
0.1426
0.1807
0.2527
0.1649
0.1829
0.2108
0.1803
0.1886
0.2220
0.1948
0.3202
0.2070
0.2346
0.2423
0.2972
0.2729
0.3793
0.3349
0.2701
0.3010
0.2977
0.3337
y2 lit.
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
y2 cal.
0.7727
0.7299
0.7264
0.7053
0.7553
0.7220
0.7339
0.7031
0.6993
0.7036
0.6941
0.6826
0.6849
0.6862
0.6730
0.6760
0.6781
0.6639
0.6593
0.6526
0.6548
0.5435
0.6419
0.6146
0.5512
0.6341
0.6103
0.6059
0.5526
0.6015
0.5826
0.5867
0.5507
0.5630
0.5839
0.5693
0.5660
0.5494
APPENDIX A
: tables of data
T/K
352.69
345.66
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
x1 lit.
0.1744
0.1784
0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
x1 cal.
0.1648
0.1686
0.1721
0.1811
0.1813
0.1856
0.1953
0.1960
0.1980
0.2025
0.2088
0.2128
0.2183
0.2240
0.2262
0.2339
0.2363
0.2363
0.2397
0.2439
0.2485
0.2614
0.2653
0.2664
0.2684
0.2706
0.2738
0.2754
0.2861
0.2871
0.2911
0.2915
0.3007
0.3021
0.3103
0.3159
0.3186
0.3382
0.3454
0.3550
0.3569
0.3623
0.3664
x2 lit.
0.0780
0.3591
0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
x2 cal.
0.0736
0.3386
0.7208
0.0862
0.3620
0.1670
0.6544
0.3913
0.0454
0.6828
0.6833
0.1215
0.4395
0.0556
0.2130
0.6629
0.6409
0.4700
0.1049
0.3158
0.0658
0.1143
0.6322
0.5200
0.3488
0.1663
0.6161
0.5289
0.5479
0.1299
0.5521
0.3755
0.1892
0.5749
0.5803
0.5784
0.5634
0.1873
0.4355
0.0642
0.4903
0.3395
0.5163
A-67
y1 lit.
0.3692
0.3111
0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
y1 cal.
0.3555
0.2996
0.4215
0.3711
0.3228
0.3357
0.4217
0.3491
0.4635
0.4581
0.4682
0.3997
0.3884
0.4819
0.3891
0.5044
0.4902
0.4218
0.4454
0.4070
0.5006
0.4669
0.5360
0.4817
0.4413
0.4553
0.5390
0.4972
0.5203
0.4914
0.5300
0.4751
0.4852
0.5555
0.5734
0.5734
0.5705
0.5287
0.5556
0.6259
0.5861
0.5495
0.6110
y2 lit.
0.4598
0.5680
0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
y2 cal.
0.4442
0.5487
0.5072
0.4417
0.5332
0.4960
0.4919
0.5157
0.3353
0.4713
0.4653
0.4455
0.4897
0.3344
0.4652
0.4340
0.4399
0.4674
0.3935
0.4637
0.3285
0.3822
0.4055
0.4276
0.4401
0.4055
0.4003
0.4171
0.4026
0.3707
0.3962
0.4175
0.3872
0.3817
0.3694
0.3704
0.3695
0.3553
0.3634
0.2384
0.3478
0.3582
0.3323
APPENDIX A
: tables of data
T/K
340.65
337.97
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
0.3905
0.3919
0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
x1 cal.
0.3690
0.3703
0.3704
0.3708
0.3723
0.3777
0.3811
0.3861
0.3914
0.3919
0.3927
0.3966
0.4057
0.4097
0.4147
0.4239
0.4247
0.4414
0.4442
0.4522
0.4594
0.4649
0.4804
0.4862
0.4901
0.5000
0.5101
0.5104
0.5183
0.5259
0.5262
0.5333
0.5366
0.5521
0.5731
0.5863
0.5965
0.5979
0.6308
0.6354
0.6890
x2 lit.
0.2167
0.3980
0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
x2 cal.
0.2043
0.3753
0.4607
0.1016
0.4595
0.4940
0.5165
0.2420
0.3658
0.3123
0.0736
0.4846
0.2254
0.1134
0.2589
0.3342
0.3906
0.1669
0.2835
0.2397
0.0919
0.3065
0.1809
0.2830
0.2584
0.3259
0.1037
0.1758
0.1964
0.2215
0.2470
0.2763
0.0786
0.1894
0.2607
0.0852
0.2033
0.2932
0.0775
0.0936
0.1014
A-68
y1 lit.
0.5780
0.5877
0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
y1 cal.
0.5566
0.5660
0.5914
0.6030
0.5938
0.6096
0.6256
0.5708
0.5869
0.5791
0.6496
0.6259
0.5856
0.6325
0.5977
0.6119
0.6230
0.6312
0.6298
0.6241
0.6851
0.6442
0.6608
0.6573
0.6584
0.6753
0.7130
0.6847
0.6868
0.6920
0.6899
0.6922
0.7499
0.7111
0.7178
0.7735
0.7368
0.7430
0.8022
0.7946
0.8148
y2 lit.
0.3488
0.3613
0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
y2 cal.
0.3369
0.3490
0.3402
0.2771
0.3380
0.3314
0.3232
0.3311
0.3332
0.3330
0.2285
0.3189
0.3191
0.2609
0.3132
0.3111
0.3093
0.2735
0.2921
0.2912
0.2140
0.2842
0.2545
0.2716
0.2685
0.2638
0.1980
0.2363
0.2383
0.2494
0.2431
0.2458
0.1624
0.2197
0.2249
0.1501
0.2036
0.2100
0.1269
0.1388
0.1277
APPENDIX A
: tables of data
phase of ternary system MTBE(1)+Ethanol(2)+ Octane(3) at 101.3KPa.
Temperature,T, liquid phase xi, vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821
0.0371
0.0404
0.0434
0.0442
0.0445
0.0466
0.0486
0.0493
0.0540
0.0560
0.0619
0.0685
0.0694
0.0723
0.0737
0.0744
0.0773
0.0811
0.0858
0.0881
0.0884
0.0895
0.0964
0.1003
0.1011
0.1068
0.1120
0.1139
0.1141
0.1277
0.1309
0.1356
0.1406
0.1411
0.1416
0.1465
0.1539
0.1568
0.1664
0.1702
0.1737
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644
0.8869
0.6545
0.6932
0.2573
0.8739
0.7302
0.8644
0.2959
0.3305
0.5855
0.6386
0.6964
0.5608
0.8479
0.7361
0.5998
0.4798
0.6397
0.8292
0.3344
0.5476
0.0723
0.3659
0.1958
0.0881
0.4058
0.8192
0.2317
0.1131
0.4600
0.6795
0.5594
0.7814
0.7169
0.5015
0.5969
0.5401
0.6346
0.0753
0.3465
0.7376
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377
0.1335
0.0940
0.1050
0.0850
0.1477
0.1182
0.1661
0.0939
0.1031
0.1210
0.1400
0.1647
0.1433
0.2279
0.1870
0.1594
0.1428
0.1808
0.2530
0.1650
0.1831
0.2110
0.1805
0.1888
0.2222
0.1950
0.3205
0.2073
0.2348
0.2425
0.2975
0.2732
0.3797
0.3353
0.2704
0.3013
0.2980
0.3340
0.3559
0.2999
0.4219
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250
0.7791
0.7360
0.7324
0.7111
0.7616
0.7280
0.7399
0.7089
0.7051
0.7095
0.6998
0.6882
0.6906
0.6919
0.6786
0.6816
0.6837
0.6694
0.6648
0.6580
0.6602
0.5480
0.6472
0.6197
0.5558
0.6393
0.6154
0.6109
0.5571
0.6065
0.5874
0.5916
0.5553
0.5676
0.5887
0.5740
0.5707
0.5539
0.4478
0.5532
0.5114
A-69
APPENDIX A
: tables of data
T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920
0.1828
0.1831
0.1874
0.1972
0.1979
0.1999
0.2044
0.2108
0.2148
0.2204
0.2261
0.2284
0.2361
0.2385
0.2386
0.2420
0.2462
0.2509
0.2639
0.2678
0.2689
0.2709
0.2731
0.2764
0.2780
0.2889
0.2898
0.2938
0.2943
0.3036
0.3050
0.3133
0.3189
0.3216
0.3414
0.3487
0.3584
0.3603
0.3658
0.3699
0.3725
0.3739
0.3740
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885
0.0882
0.3705
0.1709
0.6697
0.4004
0.0464
0.6988
0.6992
0.1243
0.4498
0.0569
0.2180
0.6784
0.6558
0.4810
0.1073
0.3232
0.0674
0.1170
0.6469
0.5321
0.3570
0.1701
0.6304
0.5413
0.5607
0.1330
0.5650
0.3843
0.1936
0.5884
0.5939
0.5919
0.5766
0.1916
0.4456
0.0657
0.5017
0.3474
0.5283
0.2091
0.3841
0.4714
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141
0.3715
0.3231
0.3361
0.4221
0.3495
0.4640
0.4586
0.4687
0.4002
0.3888
0.4824
0.3895
0.5049
0.4907
0.4222
0.4459
0.4074
0.5011
0.4673
0.5366
0.4822
0.4418
0.4558
0.5396
0.4977
0.5208
0.4919
0.5306
0.4756
0.4857
0.5560
0.5740
0.5740
0.5711
0.5292
0.5561
0.6265
0.5867
0.5501
0.6117
0.5572
0.5665
0.5920
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522
0.4453
0.5376
0.5001
0.4960
0.5199
0.3381
0.4752
0.4692
0.4492
0.4937
0.3372
0.4691
0.4376
0.4436
0.4712
0.3968
0.4675
0.3313
0.3854
0.4089
0.4311
0.4438
0.4089
0.4036
0.4206
0.4060
0.3737
0.3994
0.4210
0.3904
0.3848
0.3725
0.3734
0.3726
0.3582
0.3664
0.2404
0.3506
0.3612
0.3351
0.3397
0.3519
0.3430
A-70
APPENDIX A
: tables of data
T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3743
0.3759
0.3813
0.3847
0.3898
0.3951
0.3956
0.3965
0.4004
0.4096
0.4136
0.4186
0.4280
0.4287
0.4456
0.4484
0.4565
0.4637
0.4694
0.4850
0.4908
0.4947
0.5048
0.5150
0.5153
0.5233
0.5309
0.5312
0.5383
0.5417
0.5573
0.5786
0.5919
0.6022
0.6036
0.6368
0.6415
0.6956
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.1039
0.4702
0.5056
0.5285
0.2476
0.3743
0.3196
0.0754
0.4959
0.2306
0.1161
0.2649
0.3420
0.3997
0.1708
0.2901
0.2453
0.0941
0.3136
0.1851
0.2896
0.2644
0.3335
0.1062
0.1799
0.2010
0.2267
0.2527
0.2827
0.0805
0.1938
0.2668
0.0871
0.2081
0.3000
0.0793
0.0958
0.1037
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.6037
0.5944
0.6102
0.6262
0.5714
0.5875
0.5797
0.6503
0.6265
0.5862
0.6332
0.5984
0.6125
0.6236
0.6319
0.6305
0.6248
0.6858
0.6449
0.6615
0.6580
0.6591
0.6760
0.7137
0.6854
0.6875
0.6927
0.6906
0.6929
0.7507
0.7118
0.7186
0.7743
0.7376
0.7437
0.8030
0.7954
0.8156
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.2794
0.3408
0.3342
0.3259
0.3339
0.3359
0.3357
0.2304
0.3215
0.3217
0.2631
0.3158
0.3136
0.3119
0.2757
0.2945
0.2937
0.2157
0.2866
0.2566
0.2739
0.2707
0.2660
0.1997
0.2382
0.2403
0.2515
0.2452
0.2478
0.1637
0.2215
0.2267
0.1514
0.2053
0.2117
0.1280
0.1400
0.1288
A-71
APPENDIX A
: tables of data
vapor phase and NRTL model for liquid phase of ternary MTBE(1)+Ethanol(2)+
Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821
0.0378
0.0413
0.0443
0.0450
0.0453
0.0475
0.0495
0.0503
0.0551
0.0571
0.0631
0.0699
0.0707
0.0738
0.0752
0.0759
0.0788
0.0827
0.0875
0.0899
0.0902
0.0913
0.0983
0.1023
0.1031
0.1090
0.1142
0.1162
0.1164
0.1303
0.1335
0.1383
0.1434
0.1439
0.1444
0.1495
0.1569
0.1600
0.1697
0.1736
0.1772
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644
0.8970
0.6619
0.7011
0.2602
0.8839
0.7385
0.8742
0.2992
0.3343
0.5921
0.6459
0.7044
0.5672
0.8576
0.7445
0.6067
0.4853
0.6470
0.8387
0.3382
0.5539
0.0731
0.3701
0.1980
0.0891
0.4104
0.8285
0.2343
0.1144
0.4653
0.6872
0.5658
0.7903
0.7251
0.5072
0.6037
0.5463
0.6418
0.0761
0.3505
0.7461
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377
0.1334
0.0939
0.1049
0.0849
0.1475
0.1181
0.1659
0.0938
0.1029
0.1209
0.1398
0.1646
0.1431
0.2277
0.1868
0.1593
0.1426
0.1807
0.2527
0.1649
0.1829
0.2108
0.1803
0.1886
0.2220
0.1948
0.3202
0.2070
0.2346
0.2423
0.2972
0.2729
0.3793
0.3349
0.2701
0.3010
0.2977
0.3337
0.3555
0.2996
0.4215
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250
0.7791
0.7360
0.7324
0.7111
0.7616
0.7280
0.7399
0.7089
0.7051
0.7095
0.6998
0.6882
0.6906
0.6919
0.6786
0.6816
0.6837
0.6694
0.6648
0.6580
0.6602
0.5480
0.6472
0.6197
0.5558
0.6393
0.6154
0.6109
0.5571
0.6065
0.5874
0.5916
0.5553
0.5676
0.5887
0.5740
0.5707
0.5539
0.4478
0.5532
0.5114
A-72
APPENDIX A
: tables of data
T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920
0.1864
0.1867
0.1911
0.2011
0.2018
0.2038
0.2085
0.2150
0.2191
0.2248
0.2306
0.2329
0.2408
0.2433
0.2433
0.2469
0.2511
0.2559
0.2691
0.2731
0.2743
0.2763
0.2786
0.2819
0.2835
0.2946
0.2956
0.2997
0.3002
0.3096
0.3111
0.3195
0.3253
0.3280
0.3482
0.3556
0.3656
0.3675
0.3730
0.3772
0.3800
0.3813
0.3814
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885
0.0892
0.3747
0.1728
0.6773
0.4049
0.0469
0.7067
0.7072
0.1257
0.4549
0.0576
0.2205
0.6861
0.6633
0.4864
0.1085
0.3269
0.0681
0.1183
0.6543
0.5382
0.3610
0.1721
0.6376
0.5474
0.5671
0.1345
0.5714
0.3886
0.1958
0.5951
0.6006
0.5987
0.5832
0.1938
0.4507
0.0665
0.5074
0.3514
0.5344
0.2115
0.3884
0.4768
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141
0.3711
0.3228
0.3357
0.4217
0.3491
0.4635
0.4581
0.4682
0.3997
0.3884
0.4819
0.3891
0.5044
0.4902
0.4218
0.4454
0.4070
0.5006
0.4669
0.5360
0.4817
0.4413
0.4553
0.5390
0.4972
0.5203
0.4914
0.5300
0.4751
0.4852
0.5555
0.5734
0.5734
0.5705
0.5287
0.5556
0.6259
0.5861
0.5495
0.6110
0.5566
0.5660
0.5914
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522
0.4453
0.5376
0.5001
0.4960
0.5199
0.3381
0.4752
0.4692
0.4492
0.4937
0.3372
0.4691
0.4376
0.4436
0.4712
0.3968
0.4675
0.3313
0.3854
0.4089
0.4311
0.4438
0.4089
0.4036
0.4206
0.4060
0.3737
0.3994
0.4210
0.3904
0.3848
0.3725
0.3734
0.3726
0.3582
0.3664
0.2404
0.3506
0.3612
0.3351
0.3397
0.3519
0.3430
A-73
APPENDIX A
: tables of data
T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3818
0.3834
0.3889
0.3924
0.3976
0.4030
0.4035
0.4044
0.4084
0.4177
0.4218
0.4270
0.4365
0.4373
0.4545
0.4573
0.4656
0.4730
0.4787
0.4947
0.5006
0.5046
0.5148
0.5252
0.5255
0.5337
0.5415
0.5418
0.5491
0.5525
0.5684
0.5901
0.6036
0.6142
0.6156
0.6495
0.6542
0.7094
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.1051
0.4756
0.5113
0.5346
0.2504
0.3786
0.3233
0.0762
0.5016
0.2333
0.1174
0.2679
0.3459
0.4043
0.1728
0.2934
0.2481
0.0952
0.3172
0.1872
0.2929
0.2674
0.3373
0.1074
0.1819
0.2033
0.2293
0.2556
0.2860
0.0814
0.1960
0.2699
0.0881
0.2104
0.3034
0.0802
0.0969
0.1049
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.6030
0.5938
0.6096
0.6256
0.5708
0.5869
0.5791
0.6496
0.6259
0.5856
0.6325
0.5977
0.6119
0.6230
0.6312
0.6298
0.6241
0.6851
0.6442
0.6608
0.6573
0.6584
0.6753
0.7130
0.6847
0.6868
0.6920
0.6899
0.6922
0.7499
0.7111
0.7178
0.7735
0.7368
0.7430
0.8022
0.7946
0.8148
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.2794
0.3408
0.3342
0.3259
0.3339
0.3359
0.3357
0.2304
0.3215
0.3217
0.2631
0.3158
0.3136
0.3119
0.2757
0.2945
0.2937
0.2157
0.2866
0.2566
0.2739
0.2707
0.2660
0.1997
0.2382
0.2403
0.2515
0.2452
0.2478
0.1637
0.2215
0.2267
0.1514
0.2053
0.2117
0.1280
0.1400
0.1288
A-74
APPENDIX A
: tables of data
vapor phase and UNIQUAC
model for liquid phase of ternary system
MTBE(1)+Ethanol(2)+ Octane(3) at 101.3KPa. Temperature,T, liquid phase xi,
vapor phase,yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.0375
0.0409
0.0439
0.0446
0.0449
0.0470
0.0491
0.0498
0.0546
0.0566
0.0626
0.0692
0.0701
0.0731
0.0745
0.0752
0.0781
0.0819
0.0867
0.0891
0.0894
0.0904
0.0974
0.1013
0.1022
0.1080
0.1132
0.1151
0.1153
0.1291
0.1323
0.1370
0.1421
0.1426
0.1431
0.1481
0.1555
0.1585
0.1681
0.1720
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.8924
0.6585
0.6975
0.2589
0.8793
0.7348
0.8697
0.2977
0.3326
0.5891
0.6426
0.7008
0.5642
0.8532
0.7407
0.6036
0.4828
0.6437
0.8344
0.3365
0.5510
0.0727
0.3682
0.1970
0.0887
0.4083
0.8243
0.2331
0.1138
0.4629
0.6837
0.5629
0.7862
0.7214
0.5046
0.6006
0.5435
0.6385
0.0757
0.3487
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.1334
0.0939
0.1049
0.0849
0.1475
0.1181
0.1659
0.0938
0.1029
0.1209
0.1398
0.1646
0.1431
0.2277
0.1868
0.1593
0.1426
0.1807
0.2527
0.1649
0.1829
0.2108
0.1803
0.1886
0.2220
0.1948
0.3202
0.2070
0.2346
0.2423
0.2972
0.2729
0.3793
0.3349
0.2701
0.3010
0.2977
0.3337
0.3555
0.2996
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.7791
0.7360
0.7324
0.7111
0.7616
0.7280
0.7399
0.7089
0.7051
0.7095
0.6998
0.6882
0.6906
0.6919
0.6786
0.6816
0.6837
0.6694
0.6648
0.6580
0.6602
0.5480
0.6472
0.6197
0.5558
0.6393
0.6154
0.6109
0.5571
0.6065
0.5874
0.5916
0.5553
0.5676
0.5887
0.5740
0.5707
0.5539
0.4478
0.5532
A-75
APPENDIX A
: tables of data

T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.1755
0.1847
0.1850
0.1893
0.1993
0.1999
0.2020
0.2066
0.2130
0.2171
0.2227
0.2285
0.2308
0.2386
0.2410
0.2411
0.2446
0.2488
0.2535
0.2666
0.2706
0.2718
0.2738
0.2760
0.2793
0.2809
0.2919
0.2929
0.2969
0.2974
0.3067
0.3082
0.3166
0.3223
0.3250
0.3450
0.3523
0.3622
0.3641
0.3696
0.3737
0.3764
0.3778
0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.7422
0.0887
0.3728
0.1720
0.6739
0.4029
0.0467
0.7031
0.7036
0.1251
0.4526
0.0573
0.2193
0.6826
0.6599
0.4839
0.1080
0.3252
0.0678
0.1177
0.6510
0.5354
0.3592
0.1712
0.6344
0.5446
0.5642
0.1338
0.5685
0.3867
0.1948
0.5920
0.5976
0.5956
0.5802
0.1928
0.4484
0.0661
0.5048
0.3496
0.5316
0.2104
0.3865
0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.4215
0.3711
0.3228
0.3357
0.4217
0.3491
0.4635
0.4581
0.4682
0.3997
0.3884
0.4819
0.3891
0.5044
0.4902
0.4218
0.4454
0.4070
0.5006
0.4669
0.5360
0.4817
0.4413
0.4553
0.5390
0.4972
0.5203
0.4914
0.5300
0.4751
0.4852
0.5555
0.5734
0.5734
0.5705
0.5287
0.5556
0.6259
0.5861
0.5495
0.6110
0.5566
0.5660
0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.5114
0.4453
0.5376
0.5001
0.4960
0.5199
0.3381
0.4752
0.4692
0.4492
0.4937
0.3372
0.4691
0.4376
0.4436
0.4712
0.3968
0.4675
0.3313
0.3854
0.4089
0.4311
0.4438
0.4089
0.4036
0.4206
0.4060
0.3737
0.3994
0.4210
0.3904
0.3848
0.3725
0.3734
0.3726
0.3582
0.3664
0.2404
0.3506
0.3612
0.3351
0.3397
0.3519
A-76
APPENDIX A
: tables of data

T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3779
0.3783
0.3798
0.3853
0.3888
0.3939
0.3993
0.3998
0.4006
0.4046
0.4138
0.4179
0.4230
0.4325
0.4332
0.4503
0.4531
0.4613
0.4686
0.4743
0.4901
0.4960
0.4999
0.5101
0.5204
0.5207
0.5288
0.5365
0.5368
0.5440
0.5474
0.5632
0.5847
0.5981
0.6085
0.6099
0.6435
0.6482
0.7029
0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.4743
0.1046
0.4732
0.5087
0.5318
0.2492
0.3767
0.3216
0.0758
0.4990
0.2321
0.1168
0.2665
0.3441
0.4022
0.1719
0.2919
0.2468
0.0947
0.3156
0.1862
0.2914
0.2661
0.3356
0.1068
0.1810
0.2023
0.2281
0.2543
0.2845
0.0810
0.1950
0.2685
0.0877
0.2093
0.3019
0.0798
0.0964
0.1044
0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.5914
0.6030
0.5938
0.6096
0.6256
0.5708
0.5869
0.5791
0.6496
0.6259
0.5856
0.6325
0.5977
0.6119
0.6230
0.6312
0.6298
0.6241
0.6851
0.6442
0.6608
0.6573
0.6584
0.6753
0.7130
0.6847
0.6868
0.6920
0.6899
0.6922
0.7499
0.7111
0.7178
0.7735
0.7368
0.7430
0.8022
0.7946
0.8148
0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.3430
0.2794
0.3408
0.3342
0.3259
0.3339
0.3359
0.3357
0.2304
0.3215
0.3217
0.2631
0.3158
0.3136
0.3119
0.2757
0.2945
0.2937
0.2157
0.2866
0.2566
0.2739
0.2707
0.2660
0.1997
0.2382
0.2403
0.2515
0.2452
0.2478
0.1637
0.2215
0.2267
0.1514
0.2053
0.2117
0.1280
0.1400
0.1288
A-77
APPENDIX A
: tables of data
vapor phase and UNIFAC
model for liquid phase of ternary syetem
MTBE(1)+Ethanol (2)+ Octane(3) at 101.3 KPa. Temperature,T, liquid phase xi,
vapor phase,yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.0375
0.0409
0.0439
0.0447
0.0450
0.0471
0.0491
0.0499
0.0546
0.0566
0.0626
0.0693
0.0702
0.0731
0.0746
0.0753
0.0782
0.0820
0.0868
0.0892
0.0895
0.0905
0.0975
0.1014
0.1023
0.1081
0.1133
0.1152
0.1154
0.1292
0.1324
0.1371
0.1422
0.1427
0.1432
0.1482
0.1557
0.1586
0.1683
0.1722
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.8879
0.6551
0.6939
0.2575
0.8748
0.7310
0.8652
0.2962
0.3309
0.5861
0.6393
0.6972
0.5613
0.8488
0.7369
0.6005
0.4803
0.6404
0.8301
0.3347
0.5482
0.0724
0.3663
0.1960
0.0882
0.4062
0.8200
0.2319
0.1132
0.4605
0.6802
0.5600
0.7822
0.7176
0.5020
0.5975
0.5407
0.6352
0.0753
0.3469
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.1334
0.0939
0.1049
0.0849
0.1475
0.1181
0.1659
0.0938
0.1029
0.1209
0.1398
0.1646
0.1431
0.2277
0.1868
0.1593
0.1426
0.1807
0.2527
0.1649
0.1829
0.2108
0.1803
0.1886
0.2220
0.1948
0.3202
0.2070
0.2346
0.2423
0.2972
0.2729
0.3793
0.3349
0.2701
0.3010
0.2977
0.3337
0.3555
0.2996
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.7791
0.7360
0.7324
0.7111
0.7616
0.7280
0.7399
0.7089
0.7051
0.7095
0.6998
0.6882
0.6906
0.6919
0.6786
0.6816
0.6837
0.6694
0.6648
0.6580
0.6602
0.5480
0.6472
0.6197
0.5558
0.6393
0.6154
0.6109
0.5571
0.6065
0.5874
0.5916
0.5553
0.5676
0.5887
0.5740
0.5707
0.5539
0.4478
0.5532
A-78
APPENDIX A
: tables of data

T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.1757
0.1849
0.1852
0.1895
0.1995
0.2001
0.2022
0.2068
0.2133
0.2173
0.2229
0.2287
0.2310
0.2388
0.2413
0.2413
0.2448
0.2491
0.2538
0.2669
0.2709
0.2720
0.2741
0.2763
0.2796
0.2812
0.2922
0.2932
0.2972
0.2977
0.3071
0.3085
0.3169
0.3226
0.3253
0.3454
0.3527
0.3626
0.3645
0.3700
0.3741
0.3768
0.3782
0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.7384
0.0883
0.3708
0.1711
0.6704
0.4008
0.0465
0.6995
0.7000
0.1244
0.4503
0.0570
0.2182
0.6791
0.6565
0.4815
0.1074
0.3235
0.0674
0.1171
0.6476
0.5327
0.3573
0.1703
0.6311
0.5418
0.5612
0.1331
0.5656
0.3847
0.1938
0.5890
0.5945
0.5925
0.5772
0.1918
0.4461
0.0658
0.5022
0.3478
0.5289
0.2093
0.3845
0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.4215
0.3711
0.3228
0.3357
0.4217
0.3491
0.4635
0.4581
0.4682
0.3997
0.3884
0.4819
0.3891
0.5044
0.4902
0.4218
0.4454
0.4070
0.5006
0.4669
0.5360
0.4817
0.4413
0.4553
0.5390
0.4972
0.5203
0.4914
0.5300
0.4751
0.4852
0.5555
0.5734
0.5734
0.5705
0.5287
0.5556
0.6259
0.5861
0.5495
0.6110
0.5566
0.5660
0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.5114
0.4453
0.5376
0.5001
0.4960
0.5199
0.3381
0.4752
0.4692
0.4492
0.4937
0.3372
0.4691
0.4376
0.4436
0.4712
0.3968
0.4675
0.3313
0.3854
0.4089
0.4311
0.4438
0.4089
0.4036
0.4206
0.4060
0.3737
0.3994
0.4210
0.3904
0.3848
0.3725
0.3734
0.3726
0.3582
0.3664
0.2404
0.3506
0.3612
0.3351
0.3397
0.3519
A-79
APPENDIX A
: tables of data

T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3783
0.3787
0.3802
0.3857
0.3892
0.3943
0.3997
0.4002
0.4011
0.4050
0.4143
0.4183
0.4234
0.4329
0.4337
0.4508
0.4536
0.4618
0.4691
0.4748
0.4906
0.4965
0.5004
0.5106
0.5209
0.5212
0.5293
0.5370
0.5373
0.5445
0.5479
0.5638
0.5853
0.5987
0.6091
0.6106
0.6441
0.6489
0.7036
0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.4719
0.1040
0.4707
0.5061
0.5291
0.2479
0.3747
0.3199
0.0754
0.4964
0.2309
0.1162
0.2652
0.3424
0.4001
0.1710
0.2904
0.2456
0.0942
0.3140
0.1853
0.2899
0.2647
0.3338
0.1063
0.1801
0.2012
0.2269
0.2530
0.2830
0.0806
0.1940
0.2671
0.0872
0.2083
0.3003
0.0794
0.0959
0.1038
0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.5914
0.6030
0.5938
0.6096
0.6256
0.5708
0.5869
0.5791
0.6496
0.6259
0.5856
0.6325
0.5977
0.6119
0.6230
0.6312
0.6298
0.6241
0.6851
0.6442
0.6608
0.6573
0.6584
0.6753
0.7130
0.6847
0.6868
0.6920
0.6899
0.6922
0.7499
0.7111
0.7178
0.7735
0.7368
0.7430
0.8022
0.7946
0.8148
0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.3430
0.2794
0.3408
0.3342
0.3259
0.3339
0.3359
0.3357
0.2304
0.3215
0.3217
0.2631
0.3158
0.3136
0.3119
0.2757
0.2945
0.2937
0.2157
0.2866
0.2566
0.2739
0.2707
0.2660
0.1997
0.2382
0.2403
0.2515
0.2452
0.2478
0.1637
0.2215
0.2267
0.1514
0.2053
0.2117
0.1280
0.1400
0.1288
A-80
APPENDIX A
: tables of data
phase and NRTL model for liquid phase of ternary MTBE(1)+Ethanol(2)+
Octane(3) at 101.3 KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821
0.0379
0.0413
0.0443
0.0451
0.0454
0.0475
0.0496
0.0504
0.0551
0.0572
0.0632
0.0699
0.0708
0.0738
0.0753
0.0760
0.0789
0.0828
0.0876
0.0900
0.0903
0.0914
0.0984
0.1024
0.1032
0.1091
0.1143
0.1163
0.1165
0.1304
0.1336
0.1384
0.1436
0.1441
0.1445
0.1496
0.1571
0.1601
0.1699
0.1738
0.1774
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644
0.8980
0.6626
0.7018
0.2605
0.8848
0.7393
0.8751
0.2995
0.3346
0.5927
0.6466
0.7051
0.5677
0.8585
0.7453
0.6073
0.4858
0.6477
0.8395
0.3385
0.5544
0.0732
0.3705
0.1982
0.0892
0.4108
0.8294
0.2346
0.1145
0.4657
0.6879
0.5664
0.7911
0.7258
0.5077
0.6043
0.5468
0.6425
0.0762
0.3508
0.7468
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377
0.1350
0.0951
0.1062
0.0860
0.1494
0.1195
0.1680
0.0950
0.1042
0.1224
0.1416
0.1666
0.1449
0.2305
0.1892
0.1613
0.1444
0.1829
0.2558
0.1669
0.1852
0.2134
0.1825
0.1909
0.2247
0.1972
0.3242
0.2096
0.2375
0.2453
0.3009
0.2763
0.3841
0.3391
0.2735
0.3048
0.3014
0.3378
0.3600
0.3033
0.4268
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250
0.7879
0.7443
0.7407
0.7191
0.7702
0.7362
0.7483
0.7169
0.7130
0.7175
0.7077
0.6960
0.6984
0.6997
0.6862
0.6893
0.6915
0.6770
0.6723
0.6655
0.6676
0.5542
0.6545
0.6267
0.5620
0.6466
0.6223
0.6178
0.5634
0.6134
0.5941
0.5983
0.5615
0.5741
0.5953
0.5805
0.5771
0.5602
0.4529
0.5595
0.5171
A-81
APPENDIX A
: tables of data

T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920
0.1866
0.1869
0.1913
0.2013
0.2020
0.2041
0.2087
0.2153
0.2193
0.2250
0.2308
0.2332
0.2411
0.2435
0.2436
0.2471
0.2514
0.2562
0.2694
0.2734
0.2746
0.2766
0.2789
0.2822
0.2838
0.2949
0.2959
0.3000
0.3005
0.3099
0.3114
0.3199
0.3256
0.3283
0.3486
0.3560
0.3659
0.3679
0.3734
0.3776
0.3803
0.3817
0.3818
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885
0.0893
0.3751
0.1730
0.6780
0.4054
0.0470
0.7074
0.7079
0.1258
0.4554
0.0576
0.2207
0.6868
0.6640
0.4869
0.1086
0.3272
0.0682
0.1184
0.6550
0.5387
0.3614
0.1722
0.6383
0.5480
0.5676
0.1346
0.5720
0.3890
0.1960
0.5957
0.6012
0.5993
0.5838
0.1940
0.4512
0.0665
0.5079
0.3517
0.5349
0.2117
0.3888
0.4773
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141
0.3758
0.3268
0.3399
0.4270
0.3534
0.4693
0.4638
0.4740
0.4047
0.3932
0.4879
0.3939
0.5107
0.4963
0.4271
0.4509
0.4120
0.5068
0.4727
0.5427
0.4877
0.4468
0.4610
0.5457
0.5034
0.5268
0.4975
0.5366
0.4811
0.4912
0.5624
0.5805
0.5805
0.5776
0.5353
0.5625
0.6337
0.5934
0.5563
0.6186
0.5636
0.5730
0.5987
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522
0.4503
0.5437
0.5058
0.5016
0.5258
0.3419
0.4806
0.4745
0.4543
0.4993
0.3410
0.4744
0.4426
0.4486
0.4765
0.4013
0.4728
0.3350
0.3898
0.4135
0.4360
0.4488
0.4135
0.4082
0.4253
0.4105
0.3779
0.4039
0.4257
0.3948
0.3892
0.3767
0.3776
0.3768
0.3623
0.3706
0.2431
0.3546
0.3652
0.3388
0.3436
0.3559
0.3469
A-82
APPENDIX A
: tables of data

T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3822
0.3838
0.3893
0.3928
0.3980
0.4034
0.4039
0.4048
0.4088
0.4181
0.4222
0.4274
0.4369
0.4377
0.4550
0.4578
0.4661
0.4735
0.4792
0.4952
0.5011
0.5051
0.5153
0.5258
0.5261
0.5342
0.5420
0.5423
0.5496
0.5530
0.5690
0.5907
0.6043
0.6148
0.6162
0.6501
0.6549
0.7101
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.1052
0.4761
0.5119
0.5351
0.2507
0.3790
0.3236
0.0763
0.5021
0.2335
0.1175
0.2682
0.3462
0.4047
0.1729
0.2937
0.2484
0.0953
0.3175
0.1874
0.2932
0.2677
0.3377
0.1075
0.1821
0.2035
0.2295
0.2559
0.2863
0.0815
0.1962
0.2701
0.0882
0.2106
0.3037
0.0803
0.0970
0.1050
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.6105
0.6012
0.6172
0.6334
0.5779
0.5942
0.5864
0.6577
0.6337
0.5929
0.6404
0.6052
0.6195
0.6307
0.6391
0.6377
0.6319
0.6936
0.6523
0.6690
0.6655
0.6666
0.6837
0.7219
0.6932
0.6954
0.7006
0.6985
0.7008
0.7592
0.7199
0.7268
0.7831
0.7460
0.7522
0.8122
0.8045
0.8249
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.2826
0.3447
0.3380
0.3296
0.3377
0.3397
0.3395
0.2330
0.3251
0.3253
0.2660
0.3193
0.3172
0.3154
0.2789
0.2979
0.2970
0.2182
0.2898
0.2595
0.2770
0.2737
0.2690
0.2019
0.2409
0.2430
0.2543
0.2479
0.2506
0.1656
0.2240
0.2293
0.1531
0.2076
0.2141
0.1294
0.1415
0.1302
A-83
APPENDIX A
: tables of data
phase and UNIQUAC model for liquid phase of ternary MTBE(1)+Ethanol(2)+
Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821
0.0375
0.0409
0.0439
0.0447
0.0450
0.0471
0.0491
0.0499
0.0546
0.0566
0.0626
0.0693
0.0702
0.0731
0.0746
0.0753
0.0782
0.0820
0.0868
0.0892
0.0895
0.0905
0.0975
0.1014
0.1023
0.1081
0.1133
0.1152
0.1154
0.1292
0.1324
0.1371
0.1422
0.1427
0.1432
0.1482
0.1557
0.1586
0.1683
0.1722
0.1757
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644
0.8934
0.6592
0.6982
0.2591
0.8802
0.7355
0.8706
0.2980
0.3329
0.5897
0.6433
0.7015
0.5648
0.8541
0.7414
0.6042
0.4833
0.6443
0.8352
0.3368
0.5516
0.0728
0.3686
0.1972
0.0887
0.4087
0.8251
0.2334
0.1139
0.4634
0.6844
0.5635
0.7870
0.7221
0.5051
0.6012
0.5440
0.6392
0.0758
0.3490
0.7430
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377
0.1350
0.0951
0.1062
0.0860
0.1494
0.1195
0.1680
0.0950
0.1042
0.1224
0.1416
0.1666
0.1449
0.2305
0.1892
0.1613
0.1444
0.1829
0.2558
0.1669
0.1852
0.2134
0.1825
0.1909
0.2247
0.1972
0.3242
0.2096
0.2375
0.2453
0.3009
0.2763
0.3841
0.3391
0.2735
0.3048
0.3014
0.3378
0.3600
0.3033
0.4268
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250
0.7879
0.7443
0.7407
0.7191
0.7702
0.7362
0.7483
0.7169
0.7130
0.7175
0.7077
0.6960
0.6984
0.6997
0.6862
0.6893
0.6915
0.6770
0.6723
0.6655
0.6676
0.5542
0.6545
0.6267
0.5620
0.6466
0.6223
0.6178
0.5634
0.6134
0.5941
0.5983
0.5615
0.5741
0.5953
0.5805
0.5771
0.5602
0.4529
0.5595
0.5171
A-84
APPENDIX A
: tables of data

T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920
0.1849
0.1852
0.1895
0.1995
0.2001
0.2022
0.2068
0.2133
0.2173
0.2229
0.2287
0.2310
0.2388
0.2413
0.2413
0.2448
0.2491
0.2538
0.2669
0.2709
0.2720
0.2741
0.2763
0.2796
0.2812
0.2922
0.2932
0.2972
0.2977
0.3071
0.3085
0.3169
0.3226
0.3253
0.3454
0.3527
0.3626
0.3645
0.3700
0.3741
0.3768
0.3782
0.3783
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885
0.0888
0.3732
0.1721
0.6746
0.4033
0.0468
0.7038
0.7043
0.1252
0.4530
0.0573
0.2196
0.6833
0.6606
0.4844
0.1081
0.3255
0.0678
0.1178
0.6516
0.5360
0.3595
0.1714
0.6350
0.5452
0.5647
0.1339
0.5691
0.3871
0.1950
0.5926
0.5982
0.5962
0.5808
0.1930
0.4489
0.0662
0.5053
0.3499
0.5322
0.2106
0.3869
0.4748
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141
0.3758
0.3268
0.3399
0.4270
0.3534
0.4693
0.4638
0.4740
0.4047
0.3932
0.4879
0.3939
0.5107
0.4963
0.4271
0.4509
0.4120
0.5068
0.4727
0.5427
0.4877
0.4468
0.4610
0.5457
0.5034
0.5268
0.4975
0.5366
0.4811
0.4912
0.5624
0.5805
0.5805
0.5776
0.5353
0.5625
0.6337
0.5934
0.5563
0.6186
0.5636
0.5730
0.5987
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522
0.4503
0.5437
0.5058
0.5016
0.5258
0.3419
0.4806
0.4745
0.4543
0.4993
0.3410
0.4744
0.4426
0.4486
0.4765
0.4013
0.4728
0.3350
0.3898
0.4135
0.4360
0.4488
0.4135
0.4082
0.4253
0.4105
0.3779
0.4039
0.4257
0.3948
0.3892
0.3767
0.3776
0.3768
0.3623
0.3706
0.2431
0.3546
0.3652
0.3388
0.3436
0.3559
0.3469
A-85
APPENDIX A
: tables of data

T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3787
0.3802
0.3857
0.3892
0.3943
0.3997
0.4002
0.4011
0.4050
0.4143
0.4183
0.4234
0.4329
0.4337
0.4508
0.4536
0.4618
0.4691
0.4748
0.4906
0.4965
0.5004
0.5106
0.5209
0.5212
0.5293
0.5370
0.5373
0.5445
0.5479
0.5638
0.5853
0.5987
0.6091
0.6106
0.6441
0.6489
0.7036
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.1047
0.4737
0.5092
0.5324
0.2494
0.3770
0.3219
0.0759
0.4995
0.2323
0.1169
0.2668
0.3445
0.4026
0.1720
0.2922
0.2471
0.0948
0.3159
0.1864
0.2917
0.2663
0.3359
0.1069
0.1812
0.2025
0.2283
0.2546
0.2848
0.0811
0.1952
0.2688
0.0878
0.2096
0.3022
0.0799
0.0965
0.1045
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.6105
0.6012
0.6172
0.6334
0.5779
0.5942
0.5864
0.6577
0.6337
0.5929
0.6404
0.6052
0.6195
0.6307
0.6391
0.6377
0.6319
0.6936
0.6523
0.6690
0.6655
0.6666
0.6837
0.7219
0.6932
0.6954
0.7006
0.6985
0.7008
0.7592
0.7199
0.7268
0.7831
0.7460
0.7522
0.8122
0.8045
0.8249
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.2826
0.3447
0.3380
0.3296
0.3377
0.3397
0.3395
0.2330
0.3251
0.3253
0.2660
0.3193
0.3172
0.3154
0.2789
0.2979
0.2970
0.2182
0.2898
0.2595
0.2770
0.2737
0.2690
0.2019
0.2409
0.2430
0.2543
0.2479
0.2506
0.1656
0.2240
0.2293
0.1531
0.2076
0.2141
0.1294
0.1415
0.1302
A-86
APPENDIX A
: tables of data
phase and UNIFAC model for liquid phase of for ternary MTBE(1)+Ethanol(2)+
Octane(3) at 101.3 KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821
0.0377
0.0411
0.0441
0.0449
0.0452
0.0473
0.0493
0.0501
0.0548
0.0569
0.0629
0.0696
0.0704
0.0735
0.0749
0.0756
0.0785
0.0824
0.0871
0.0895
0.0898
0.0909
0.0979
0.1018
0.1027
0.1085
0.1138
0.1157
0.1159
0.1297
0.1329
0.1377
0.1428
0.1433
0.1438
0.1488
0.1563
0.1593
0.1690
0.1729
0.1765
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644
0.8980
0.6626
0.7018
0.2605
0.8848
0.7393
0.8751
0.2995
0.3346
0.5927
0.6466
0.7051
0.5677
0.8585
0.7453
0.6073
0.4858
0.6477
0.8395
0.3385
0.5544
0.0732
0.3705
0.1982
0.0892
0.4108
0.8294
0.2346
0.1145
0.4657
0.6879
0.5664
0.7911
0.7258
0.5077
0.6043
0.5468
0.6425
0.0762
0.3508
0.7468
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377
0.1350
0.0951
0.1062
0.0860
0.1494
0.1195
0.1680
0.0950
0.1042
0.1224
0.1416
0.1666
0.1449
0.2305
0.1892
0.1613
0.1444
0.1829
0.2558
0.1669
0.1852
0.2134
0.1825
0.1909
0.2247
0.1972
0.3242
0.2096
0.2375
0.2453
0.3009
0.2763
0.3841
0.3391
0.2735
0.3048
0.3014
0.3378
0.3600
0.3033
0.4268
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250
0.7879
0.7443
0.7407
0.7191
0.7702
0.7362
0.7483
0.7169
0.7130
0.7175
0.7077
0.6960
0.6984
0.6997
0.6862
0.6893
0.6915
0.6770
0.6723
0.6655
0.6676
0.5542
0.6545
0.6267
0.5620
0.6466
0.6223
0.6178
0.5634
0.6134
0.5941
0.5983
0.5615
0.5741
0.5953
0.5805
0.5771
0.5602
0.4529
0.5595
0.5171
A-87
APPENDIX A
: tables of data

T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920
0.1857
0.1860
0.1903
0.2003
0.2010
0.2030
0.2077
0.2141
0.2182
0.2238
0.2297
0.2320
0.2398
0.2423
0.2423
0.2458
0.2501
0.2548
0.2680
0.2720
0.2732
0.2752
0.2774
0.2807
0.2824
0.2934
0.2944
0.2985
0.2989
0.3083
0.3098
0.3182
0.3239
0.3266
0.3468
0.3542
0.3641
0.3660
0.3715
0.3757
0.3784
0.3798
0.3798
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885
0.0893
0.3751
0.1730
0.6780
0.4054
0.0470
0.7074
0.7079
0.1258
0.4554
0.0576
0.2207
0.6868
0.6640
0.4869
0.1086
0.3272
0.0682
0.1184
0.6550
0.5387
0.3614
0.1722
0.6383
0.5480
0.5676
0.1346
0.5720
0.3890
0.1960
0.5957
0.6012
0.5993
0.5838
0.1940
0.4512
0.0665
0.5079
0.3517
0.5349
0.2117
0.3888
0.4773
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141
0.3758
0.3268
0.3399
0.4270
0.3534
0.4693
0.4638
0.4740
0.4047
0.3932
0.4879
0.3939
0.5107
0.4963
0.4271
0.4509
0.4120
0.5068
0.4727
0.5427
0.4877
0.4468
0.4610
0.5457
0.5034
0.5268
0.4975
0.5366
0.4811
0.4912
0.5624
0.5805
0.5805
0.5776
0.5353
0.5625
0.6337
0.5934
0.5563
0.6186
0.5636
0.5730
0.5987
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522
0.4503
0.5437
0.5058
0.5016
0.5258
0.3419
0.4806
0.4745
0.4543
0.4993
0.3410
0.4744
0.4426
0.4486
0.4765
0.4013
0.4728
0.3350
0.3898
0.4135
0.4360
0.4488
0.4135
0.4082
0.4253
0.4105
0.3779
0.4039
0.4257
0.3948
0.3892
0.3767
0.3776
0.3768
0.3623
0.3706
0.2431
0.3546
0.3652
0.3388
0.3436
0.3559
0.3469
A-88
APPENDIX A
: tables of data

T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3802
0.3818
0.3873
0.3908
0.3959
0.4014
0.4018
0.4027
0.4067
0.4160
0.4201
0.4252
0.4347
0.4355
0.4526
0.4554
0.4637
0.4710
0.4767
0.4926
0.4986
0.5025
0.5127
0.5231
0.5234
0.5315
0.5392
0.5395
0.5468
0.5502
0.5661
0.5877
0.6012
0.6116
0.6131
0.6468
0.6516
0.7065
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.1052
0.4761
0.5119
0.5351
0.2507
0.3790
0.3236
0.0763
0.5021
0.2335
0.1175
0.2682
0.3462
0.4047
0.1729
0.2937
0.2484
0.0953
0.3175
0.1874
0.2932
0.2677
0.3377
0.1075
0.1821
0.2035
0.2295
0.2559
0.2863
0.0815
0.1962
0.2701
0.0882
0.2106
0.3037
0.0803
0.0970
0.1050
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.6105
0.6012
0.6172
0.6334
0.5779
0.5942
0.5864
0.6577
0.6337
0.5929
0.6404
0.6052
0.6195
0.6307
0.6391
0.6377
0.6319
0.6936
0.6523
0.6690
0.6655
0.6666
0.6837
0.7219
0.6932
0.6954
0.7006
0.6985
0.7008
0.7592
0.7199
0.7268
0.7831
0.7460
0.7522
0.8122
0.8045
0.8249
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.2826
0.3447
0.3380
0.3296
0.3377
0.3397
0.3395
0.2330
0.3251
0.3253
0.2660
0.3193
0.3172
0.3154
0.2789
0.2979
0.2970
0.2182
0.2898
0.2595
0.2770
0.2737
0.2690
0.2019
0.2409
0.2430
0.2543
0.2479
0.2506
0.1656
0.2240
0.2293
0.1531
0.2076
0.2141
0.1294
0.1415
0.1302
A-89
APPENDIX A
: tables of data
WS mixing rule based on GE from NRTL model for
Ternary
MTBE(1)+Ethanol(2)+ Octane(3) at 101.3KPa.Temperature,T, liquid phase xi,
vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.0382
0.0417
0.0447
0.0455
0.0458
0.0480
0.0500
0.0508
0.0556
0.0577
0.0638
0.0706
0.0715
0.0745
0.0760
0.0767
0.0796
0.0836
0.0884
0.0908
0.0911
0.0922
0.0993
0.1033
0.1042
0.1101
0.1154
0.1174
0.1176
0.1316
0.1349
0.1397
0.1449
0.1454
0.1459
0.1510
0.1586
0.1616
0.1714
0.1754
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.9081
0.6701
0.7097
0.2634
0.8947
0.7476
0.8850
0.3029
0.3384
0.5994
0.6539
0.7130
0.5741
0.8682
0.7536
0.6141
0.4912
0.6549
0.8490
0.3423
0.5607
0.0740
0.3746
0.2005
0.0902
0.4155
0.8387
0.2372
0.1158
0.4710
0.6957
0.5727
0.8000
0.7340
0.5135
0.6111
0.5530
0.6497
0.0771
0.3548
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.1359
0.0956
0.1068
0.0865
0.1503
0.1203
0.1690
0.0955
0.1049
0.1231
0.1424
0.1677
0.1458
0.2319
0.1903
0.1623
0.1453
0.1840
0.2574
0.1679
0.1863
0.2147
0.1836
0.1921
0.2261
0.1985
0.3262
0.2109
0.2390
0.2468
0.3027
0.2780
0.3864
0.3412
0.2752
0.3067
0.3032
0.3399
0.3622
0.3052
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.7903
0.7465
0.7430
0.7213
0.7725
0.7384
0.7506
0.7191
0.7152
0.7197
0.7099
0.6981
0.7005
0.7019
0.6883
0.6914
0.6936
0.6791
0.6743
0.6675
0.6697
0.5558
0.6565
0.6286
0.5638
0.6485
0.6242
0.6197
0.5651
0.6152
0.5959
0.6001
0.5633
0.5758
0.5971
0.5822
0.5789
0.5619
0.4543
0.5612
A-90
APPENDIX A
: tables of data

T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.1790
0.1883
0.1886
0.1931
0.2032
0.2039
0.2059
0.2107
0.2172
0.2214
0.2271
0.2330
0.2353
0.2433
0.2458
0.2458
0.2494
0.2537
0.2585
0.2719
0.2759
0.2771
0.2792
0.2814
0.2848
0.2864
0.2977
0.2986
0.3028
0.3033
0.3128
0.3143
0.3228
0.3286
0.3314
0.3518
0.3593
0.3693
0.3713
0.3769
0.3811
0.3839
0.3852
0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.7552
0.0903
0.3793
0.1750
0.6857
0.4099
0.0475
0.7154
0.7159
0.1273
0.4605
0.0583
0.2232
0.6946
0.6714
0.4924
0.1099
0.3309
0.0690
0.1197
0.6624
0.5448
0.3655
0.1742
0.6455
0.5542
0.5740
0.1361
0.5785
0.3934
0.1982
0.6024
0.6080
0.6060
0.5903
0.1962
0.4563
0.0673
0.5137
0.3557
0.5409
0.2141
0.3932
0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.4294
0.3781
0.3288
0.3420
0.4296
0.3556
0.4722
0.4667
0.4770
0.4072
0.3956
0.4909
0.3963
0.5138
0.4993
0.4297
0.4537
0.4146
0.5099
0.4756
0.5460
0.4907
0.4496
0.4638
0.5491
0.5065
0.5300
0.5006
0.5399
0.4840
0.4942
0.5658
0.5841
0.5841
0.5811
0.5386
0.5659
0.6376
0.5970
0.5598
0.6224
0.5670
0.5765
0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.5187
0.4517
0.5454
0.5073
0.5031
0.5274
0.3429
0.4820
0.4759
0.4557
0.5008
0.3420
0.4758
0.4439
0.4499
0.4780
0.4025
0.4742
0.3360
0.3910
0.4148
0.4373
0.4501
0.4148
0.4094
0.4266
0.4118
0.3791
0.4052
0.4270
0.3960
0.3904
0.3778
0.3788
0.3779
0.3634
0.3717
0.2438
0.3557
0.3664
0.3399
0.3446
0.3570
A-91
APPENDIX A
: tables of data

T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3853
0.3857
0.3873
0.3929
0.3964
0.4017
0.4072
0.4077
0.4085
0.4126
0.4220
0.4261
0.4313
0.4410
0.4418
0.4592
0.4620
0.4704
0.4778
0.4836
0.4998
0.5058
0.5098
0.5201
0.5306
0.5309
0.5392
0.5470
0.5473
0.5547
0.5581
0.5743
0.5962
0.6099
0.6205
0.6219
0.6562
0.6610
0.7167
0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.4826
0.1064
0.4815
0.5176
0.5411
0.2535
0.3832
0.3272
0.0772
0.5077
0.2361
0.1189
0.2712
0.3501
0.4092
0.1749
0.2970
0.2511
0.0963
0.3211
0.1895
0.2965
0.2707
0.3415
0.1087
0.1842
0.2058
0.2321
0.2588
0.2895
0.0824
0.1984
0.2732
0.0892
0.2130
0.3072
0.0812
0.0981
0.1062
0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.6024
0.6143
0.6049
0.6210
0.6373
0.5814
0.5978
0.5900
0.6618
0.6376
0.5965
0.6443
0.6089
0.6233
0.6346
0.6430
0.6416
0.6358
0.6979
0.6563
0.6732
0.6696
0.6707
0.6879
0.7263
0.6975
0.6996
0.7049
0.7028
0.7051
0.7639
0.7244
0.7312
0.7879
0.7506
0.7568
0.8172
0.8094
0.8300
0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.3480
0.2835
0.3457
0.3390
0.3306
0.3387
0.3408
0.3406
0.2337
0.3261
0.3263
0.2669
0.3203
0.3181
0.3164
0.2797
0.2988
0.2979
0.2188
0.2907
0.2603
0.2778
0.2746
0.2698
0.2025
0.2417
0.2437
0.2551
0.2487
0.2513
0.1661
0.2247
0.2300
0.1535
0.2083
0.2148
0.1298
0.1420
0.1306
A-92
APPENDIX A
: tables of data
WS mixing rule based on GE from UNIQUAC model for ternary MTBE
(1)+Ethanol(2)+ Octane(3) at 101.3 KPa.Temperature,T, liquid phase xi, vapor
phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.0379
0.0413
0.0443
0.0451
0.0454
0.0475
0.0496
0.0504
0.0551
0.0572
0.0632
0.0699
0.0708
0.0738
0.0753
0.0760
0.0789
0.0828
0.0876
0.0900
0.0903
0.0914
0.0984
0.1024
0.1032
0.1091
0.1143
0.1163
0.1165
0.1304
0.1336
0.1384
0.1436
0.1441
0.1445
0.1496
0.1571
0.1601
0.1699
0.1738
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.9044
0.6673
0.7068
0.2623
0.8911
0.7446
0.8814
0.3017
0.3370
0.5970
0.6512
0.7102
0.5718
0.8646
0.7506
0.6117
0.4892
0.6523
0.8456
0.3410
0.5584
0.0737
0.3731
0.1997
0.0898
0.4138
0.8353
0.2363
0.1153
0.4691
0.6928
0.5704
0.7967
0.7310
0.5114
0.6086
0.5507
0.6471
0.0768
0.3534
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.1363
0.0959
0.1072
0.0868
0.1507
0.1206
0.1695
0.0958
0.1052
0.1235
0.1429
0.1682
0.1462
0.2326
0.1909
0.1628
0.1457
0.1846
0.2582
0.1685
0.1869
0.2154
0.1842
0.1927
0.2268
0.1991
0.3272
0.2116
0.2397
0.2476
0.3037
0.2789
0.3876
0.3422
0.2760
0.3076
0.3042
0.3410
0.3633
0.3061
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.7847
0.7412
0.7377
0.7162
0.7670
0.7332
0.7453
0.7140
0.7101
0.7146
0.7048
0.6932
0.6955
0.6969
0.6835
0.6865
0.6887
0.6742
0.6695
0.6628
0.6649
0.5519
0.6519
0.6241
0.5598
0.6439
0.6198
0.6153
0.5611
0.6109
0.5916
0.5959
0.5593
0.5717
0.5929
0.5781
0.5748
0.5579
0.4511
0.5572
A-93
APPENDIX A
: tables of data

T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.1774
0.1866
0.1869
0.1913
0.2013
0.2020
0.2041
0.2087
0.2153
0.2193
0.2250
0.2308
0.2332
0.2411
0.2435
0.2436
0.2471
0.2514
0.2562
0.2694
0.2734
0.2746
0.2766
0.2789
0.2822
0.2838
0.2949
0.2959
0.3000
0.3005
0.3099
0.3114
0.3199
0.3256
0.3283
0.3486
0.3560
0.3659
0.3679
0.3734
0.3776
0.3803
0.3817
0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.7522
0.0899
0.3778
0.1743
0.6829
0.4083
0.0473
0.7125
0.7130
0.1267
0.4586
0.0581
0.2223
0.6918
0.6687
0.4904
0.1094
0.3295
0.0687
0.1193
0.6597
0.5426
0.3640
0.1735
0.6428
0.5519
0.5717
0.1356
0.5761
0.3918
0.1974
0.5999
0.6056
0.6036
0.5879
0.1954
0.4544
0.0670
0.5116
0.3542
0.5387
0.2132
0.3916
0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.4307
0.3792
0.3298
0.3430
0.4309
0.3567
0.4736
0.4681
0.4784
0.4085
0.3968
0.4924
0.3975
0.5154
0.5009
0.4310
0.4551
0.4158
0.5115
0.4770
0.5477
0.4922
0.4510
0.4652
0.5507
0.5080
0.5317
0.5021
0.5416
0.4855
0.4957
0.5676
0.5859
0.5859
0.5829
0.5402
0.5677
0.6395
0.5989
0.5615
0.6243
0.5688
0.5783
0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.5150
0.4485
0.5415
0.5037
0.4995
0.5237
0.3405
0.4786
0.4725
0.4524
0.4973
0.3396
0.4724
0.4408
0.4467
0.4746
0.3997
0.4709
0.3336
0.3882
0.4118
0.4342
0.4469
0.4118
0.4065
0.4236
0.4089
0.3764
0.4023
0.4240
0.3932
0.3876
0.3751
0.3761
0.3752
0.3608
0.3691
0.2421
0.3532
0.3638
0.3375
0.3422
0.3544
A-94
APPENDIX A
: tables of data

T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
x1 lit.
x1 cal.
x2 lit.
x2 cal.
y1 lit.
y1 cal.
y2 lit.
y2 cal.
0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291
0.3818
0.3822
0.3838
0.3893
0.3928
0.3980
0.4034
0.4039
0.4048
0.4088
0.4181
0.4222
0.4274
0.4369
0.4377
0.4550
0.4578
0.4661
0.4735
0.4792
0.4952
0.5011
0.5051
0.5153
0.5258
0.5261
0.5342
0.5420
0.5423
0.5496
0.5530
0.5690
0.5907
0.6043
0.6148
0.6162
0.6501
0.6549
0.7101
0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075
0.4807
0.1060
0.4795
0.5155
0.5389
0.2525
0.3817
0.3259
0.0769
0.5057
0.2352
0.1184
0.2701
0.3487
0.4076
0.1742
0.2958
0.2501
0.0959
0.3198
0.1887
0.2953
0.2696
0.3401
0.1082
0.1834
0.2050
0.2311
0.2577
0.2883
0.0821
0.1976
0.2721
0.0889
0.2122
0.3059
0.0809
0.0977
0.1058
0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461
0.6043
0.6162
0.6067
0.6229
0.6392
0.5832
0.5996
0.5918
0.6638
0.6395
0.5984
0.6463
0.6108
0.6252
0.6365
0.6450
0.6435
0.6377
0.7000
0.6583
0.6752
0.6717
0.6728
0.6900
0.7286
0.6996
0.7018
0.7071
0.7049
0.7073
0.7662
0.7266
0.7335
0.7903
0.7529
0.7592
0.8197
0.8119
0.8326
0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322
0.3455
0.2814
0.3433
0.3366
0.3282
0.3363
0.3383
0.3382
0.2320
0.3238
0.3240
0.2650
0.3180
0.3159
0.3141
0.2777
0.2967
0.2958
0.2173
0.2886
0.2585
0.2759
0.2726
0.2679
0.2011
0.2400
0.2420
0.2533
0.2469
0.2496
0.1649
0.2231
0.2284
0.1524
0.2068
0.2133
0.1289
0.1410
0.1297
A-95
APPENDIX B
: tables of K-values
APPENDIX B
TABLES OF EQUILIBRIUM CONSTANT FOR
BINARY &TERNARY SYSTEMS
K-VALUES
B.1 BINARY SYSTEMES:
Table (B-1) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by
using SRK-EOS for two phases at 101.3KPa.
T/K
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
K1 lit.
k1cal.
1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083
1.0000
1.1034
1.1022
1.1015
1.1018
1.0993
1.0983
1.0975
1.0977
1.0968
1.0972
1.0954
1.0930
1.0909
1.0896
1.0870
1.0817
1.0813
1.0778
1.0714
1.0599
1.0563
1.0484
1.0454
1.0412
1.0371
1.0360
1.0345
1.0286
1.0202
B-1
K2lit.
1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654
K2 cal.
1.0000
0.9965
0.9926
0.9897
0.9873
0.9807
0.9712
0.9612
0.9551
0.9416
0.9354
0.9256
0.9079
0.8971
0.8877
0.8821
0.8648
0.8565
0.8474
0.8262
0.7942
0.7855
0.7685
0.7611
0.7486
0.7374
0.7348
0.7292
0.7111
0.6724
APPENDIX B

using PR-EOS for two phases at 101.3KPa.
T/K
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
K1 lit.
k1cal.
1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083
1.0000
1.0907
1.0895
1.0888
1.0890
1.0866
1.0856
1.0848
1.0850
1.0841
1.0845
1.0827
1.0803
1.0783
1.0770
1.0744
1.0692
1.0688
1.0653
1.0590
1.0476
1.0441
1.0363
1.0333
1.0291
1.0251
1.0240
1.0225
1.0167
1.0084
B-2
K2lit.
1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654
K2 cal.
1.0000
0.9969
0.9934
0.9908
0.9887
0.9829
0.9744
0.9655
0.9600
0.9479
0.9424
0.9337
0.9179
0.9083
0.9000
0.8953
0.8805
0.8731
0.8656
0.8482
0.8241
0.8184
0.8092
0.8057
0.7999
0.7967
0.7965
0.7948
0.7958
0.8140
APPENDIX B

using SRK-EOS for vapor phase and NRTL model for liquid phase at 101.3KPa.
K1 lit.
K1 cal.
K2 lit.
K2 cal.
355.43
1.0816
1.0727
1.0000
1.0000
0.9971
0.9975
355.35
1.0804
1.0716
0.9937
0.9946
355.29
1.0798
1.0709
0.9914
0.9925
355.24
1.0800
1.0711
0.9893
0.9908
355.12
1.0776
1.0687
0.9838
0.9861
354.95
1.0766
1.0678
0.9758
0.9793
354.78
1.0758
1.0670
0.9672
0.9721
354.70
1.0760
1.0672
0.9619
0.9676
354.49
1.0751
1.0662
0.9500
0.9578
354.41
1.0755
1.0667
0.9445
0.9531
354.26
1.0738
1.0649
0.9359
0.9462
354.02
1.0713
1.0625
0.9201
0.9337
353.87
1.0694
1.0606
0.9104
0.9263
353.76
1.0681
1.0593
0.9019
0.9197
353.67
1.0655
1.0567
0.8972
0.9166
353.43
1.0603
1.0516
0.8820
0.9064
353.35
1.0599
1.0512
0.8741
0.9006
353.22
1.0564
1.0478
0.8662
0.8961
352.97
1.0502
1.0416
0.8473
0.8859
352.58
1.0389
1.0304
0.8198
0.8777
352.48
1.0354
1.0269
0.8128
0.8782
352.26
1.0277
1.0192
0.8008
0.8864
352.18
1.0248
1.0164
0.7956
0.8917
352.06
1.0206
1.0122
0.7861
0.9027
351.94
1.0166
1.0082
0.7791
0.9208
351.91
1.0155
1.0072
0.7779
0.9271
351.87
1.0140
1.0057
0.7736
0.9370
351.71
1.0083
1.0000
0.7654
1.0000
351.44
1.0000
0.9918
T/K
335.53
B-3
1.3077
APPENDIX B

using SRK-EOS for vapor phase and UNIQUAC model for liquid phase at
101.3KPa.
T/K
K1 lit.
K1 cal.
335.53
K2 lit.
K2 cal.
1.0000
1.0000
355.43
1.0816
1.0861
0.9971
0.9971
355.35
1.0804
1.0849
0.9937
0.9937
355.29
1.0798
1.0842
0.9914
0.9913
355.24
1.0800
1.0845
0.9893
0.9892
355.12
1.0776
1.0821
0.9838
0.9836
354.95
1.0766
1.0811
0.9758
0.9756
354.78
1.0758
1.0803
0.9672
0.9671
354.70
1.0760
1.0805
0.9619
0.9619
354.49
1.0751
1.0795
0.9500
0.9503
354.41
1.0755
1.0800
0.9445
0.9450
354.26
1.0738
1.0782
0.9359
0.9367
354.02
1.0713
1.0758
0.9201
0.9216
353.87
1.0694
1.0738
0.9104
0.9126
353.76
1.0681
1.0725
0.9019
0.9046
353.67
1.0655
1.0699
0.8972
0.9003
353.43
1.0603
1.0647
0.8820
0.8866
353.35
1.0599
1.0643
0.8741
0.8796
353.22
1.0564
1.0608
0.8662
0.8727
352.97
1.0502
1.0546
0.8473
0.8569
352.58
1.0389
1.0432
0.8198
0.8362
352.48
1.0354
1.0397
0.8128
0.8318
352.26
1.0277
1.0319
0.8008
0.8263
352.18
1.0248
1.0290
0.7956
0.8245
352.06
1.0206
1.0249
0.7861
0.8221
351.94
1.0166
1.0208
0.7791
0.8230
351.91
1.0155
1.0197
0.7779
0.8240
351.87
1.0140
1.0182
0.7736
0.8244
351.71
1.0083
1.0125
0.7654
0.8363
351.44
1.0000
1.0042
B-4
0.8947
APPENDIX B

using SRK-EOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
K1 lit.
K1 cal.
335.53
K2 lit.
K2 cal.
1.0000
1.0000
355.43
1.0816
1.0873
0.9971
0.9970
355.35
1.0804
1.0861
0.9937
0.9936
355.29
1.0798
1.0854
0.9914
0.9911
355.24
1.0800
1.0856
0.9893
0.9891
355.12
1.0776
1.0832
0.9838
0.9834
354.95
1.0766
1.0822
0.9758
0.9753
354.78
1.0758
1.0814
0.9672
0.9667
354.70
1.0760
1.0816
0.9619
0.9614
354.49
1.0751
1.0807
0.9500
0.9497
354.41
1.0755
1.0811
0.9445
0.9443
354.26
1.0738
1.0794
0.9359
0.9359
354.02
1.0713
1.0769
0.9201
0.9206
353.87
1.0694
1.0749
0.9104
0.9115
353.76
1.0681
1.0736
0.9019
0.9034
353.67
1.0655
1.0710
0.8972
0.8990
353.43
1.0603
1.0658
0.8820
0.8850
353.35
1.0599
1.0654
0.8741
0.8779
353.22
1.0564
1.0619
0.8662
0.8708
352.97
1.0502
1.0557
0.8473
0.8546
352.58
1.0389
1.0443
0.8198
0.8330
352.48
1.0354
1.0408
0.8128
0.8282
352.26
1.0277
1.0330
0.8008
0.8217
352.18
1.0248
1.0301
0.7956
0.8194
352.06
1.0206
1.0259
0.7861
0.8160
351.94
1.0166
1.0218
0.7791
0.8157
351.91
1.0155
1.0208
0.7779
0.8164
351.87
1.0140
1.0193
0.7736
0.8163
351.71
1.0083
1.0135
0.7654
0.8250
351.44
1.0000
1.0052
B-5
0.8718
APPENDIX B

using PR-EOS for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
K1 lit.
K1 cal.
K2 lit.
K2 cal.
1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654
1.0000
0.9972
0.9940
0.9918
0.9899
0.9846
0.9771
0.9691
0.9641
0.9533
0.9482
0.9404
0.9263
0.9179
0.9104
0.9066
0.8942
0.8875
0.8816
0.8677
0.8515
0.8488
0.8482
0.8490
0.8512
0.8582
0.8610
0.8647
0.8942
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083
1.0805
1.0793
1.0786
1.0789
1.0765
1.0755
1.0747
1.0749
1.0740
1.0744
1.0727
1.0702
1.0683
1.0670
1.0644
1.0592
1.0588
1.0554
1.0492
1.0378
1.0344
1.0266
1.0237
1.0196
1.0155
1.0145
1.0130
1.0072
351.44
1.0000
0.9990
B-6
1.0323
APPENDIX B

using PR-EOS for vapor phase and UNIQUAC model for liquid phase at
101.3KPa.
T/K
K1 lit.
K1 cal.
K2 lit.
K2 cal.
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083
1.0861
1.0849
1.0842
1.0845
1.0821
1.0811
1.0803
1.0805
1.0795
1.0800
1.0782
1.0758
1.0738
1.0725
1.0699
1.0647
1.0643
1.0608
1.0546
1.0432
1.0397
1.0319
1.0290
1.0248
1.0208
1.0197
1.0182
1.0125
1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654
1.0000
0.9971
0.9937
0.9912
0.9892
0.9836
0.9756
0.9670
0.9618
0.9502
0.9448
0.9365
0.9213
0.9122
0.9042
0.8998
0.8860
0.8789
0.8719
0.8558
0.8346
0.8300
0.8240
0.8220
0.8191
0.8195
0.8204
0.8206
0.8315
351.44
1.0000
1.0041
B-7
0.8889
APPENDIX B

using PR-EOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
K1 lit.
K1 cal.
335.53
K2 lit.
K2 cal.
1.0000
1.0000
355.43
1.0816
1.0884
0.9971
0.9970
355.35
1.0804
1.0872
0.9937
0.9935
355.29
1.0798
1.0865
0.9914
0.9910
355.24
1.0800
1.0867
0.9893
0.9889
355.12
1.0776
1.0843
0.9838
0.9832
354.95
1.0766
1.0833
0.9758
0.9750
354.78
1.0758
1.0825
0.9672
0.9662
354.70
1.0760
1.0827
0.9619
0.9608
354.49
1.0751
1.0818
0.9500
0.9489
354.41
1.0755
1.0823
0.9445
0.9434
354.26
1.0738
1.0805
0.9359
0.9349
354.02
1.0713
1.0780
0.9201
0.9193
353.87
1.0694
1.0760
0.9104
0.9099
353.76
1.0681
1.0748
0.9019
0.9017
353.67
1.0655
1.0721
0.8972
0.8972
353.43
1.0603
1.0669
0.8820
0.8828
353.35
1.0599
1.0665
0.8741
0.8754
353.22
1.0564
1.0630
0.8662
0.8681
352.97
1.0502
1.0568
0.8473
0.8512
352.58
1.0389
1.0454
0.8198
0.8281
352.48
1.0354
1.0419
0.8128
0.8227
352.26
1.0277
1.0341
0.8008
0.8147
352.18
1.0248
1.0312
0.7956
0.8117
352.06
1.0206
1.0270
0.7861
0.8069
351.94
1.0166
1.0229
0.7791
0.8050
351.91
1.0155
1.0218
0.7779
0.8052
351.87
1.0140
1.0203
0.7736
0.8041
351.71
1.0083
1.0146
0.7654
0.8088
351.44
1.0000
1.0062
B-8
0.8421
APPENDIX B
Table (B-9) K-values of binary system ethanol (1)+ 2-methyl-2-propanol(2) by

using PRSV-EOS with WS mixing rule based on GE from NRTL model at
101.3KPa.
T/K
K1 lit.
K1 cal.
335.53
K2 lit.
K2 cal.
1.0000
1.0000
355.43
1.0816
1.0838
0.9971
0.9971
355.35
1.0804
1.0826
0.9937
0.9937
355.29
1.0798
1.0820
0.9914
0.9913
355.24
1.0800
1.0822
0.9893
0.9893
355.12
1.0776
1.0798
0.9838
0.9837
354.95
1.0766
1.0788
0.9758
0.9757
354.78
1.0758
1.0780
0.9672
0.9671
354.70
1.0760
1.0782
0.9619
0.9618
354.49
1.0751
1.0773
0.9500
0.9501
354.41
1.0755
1.0777
0.9445
0.9446
354.26
1.0738
1.0760
0.9359
0.9362
354.02
1.0713
1.0735
0.9201
0.9207
353.87
1.0694
1.0716
0.9104
0.9113
353.76
1.0681
1.0703
0.9019
0.9031
353.67
1.0655
1.0676
0.8972
0.8985
353.43
1.0603
1.0624
0.8820
0.8841
353.35
1.0599
1.0621
0.8741
0.8766
353.22
1.0564
1.0586
0.8662
0.8692
352.97
1.0502
1.0524
0.8473
0.8518
352.58
1.0389
1.0410
0.8198
0.8278
352.48
1.0354
1.0376
0.8128
0.8222
352.26
1.0277
1.0298
0.8008
0.8137
352.18
1.0248
1.0269
0.7956
0.8105
352.06
1.0206
1.0227
0.7861
0.8052
351.94
1.0166
1.0186
0.7791
0.8032
351.91
1.0155
1.0176
0.7779
0.8035
351.87
1.0140
1.0161
0.7736
0.8024
351.71
1.0083
1.0103
0.7654
0.8096
351.44
1.0000
1.0020
B-9
0.8889
APPENDIX B
Table (B-10) K-values of binary system ethanol (1)+ 2-methyl-2-propanol(2) by

using PRSV-EOS with WS mixing rule based on GE from UNIQUAC model at
101.3KPa.
K1 lit.
K1 cal.
K2 lit.
K2 cal.
355.43
1.0816
1.0838
1.0000
1.0000
0.9971
0.9971
355.35
1.0804
1.0826
0.9937
0.9937
355.29
1.0798
1.0819
0.9914
0.9913
355.24
1.0800
1.0822
0.9893
0.9893
355.12
1.0776
1.0798
0.9838
0.9837
354.95
1.0766
1.0788
0.9758
0.9756
354.78
1.0758
1.0780
0.9672
0.9670
354.70
1.0760
1.0782
0.9619
0.9617
354.49
1.0751
1.0773
0.9500
0.9499
354.41
1.0755
1.0777
0.9445
0.9444
354.26
1.0738
1.0759
0.9359
0.9359
354.02
1.0713
1.0735
0.9201
0.9204
353.87
1.0694
1.0715
0.9104
0.9109
353.76
1.0681
1.0703
0.9019
0.9026
353.67
1.0655
1.0676
0.8972
0.8980
353.43
1.0603
1.0624
0.8820
0.8834
353.35
1.0599
1.0621
0.8741
0.8758
353.22
1.0564
1.0586
0.8662
0.8683
352.97
1.0502
1.0524
0.8473
0.8507
352.58
1.0389
1.0410
0.8198
0.8260
352.48
1.0354
1.0375
0.8128
0.8201
352.26
1.0277
1.0298
0.8008
0.8110
352.18
1.0248
1.0269
0.7956
0.8074
352.06
1.0206
1.0227
0.7861
0.8013
351.94
1.0166
1.0186
0.7791
0.7985
351.91
1.0155
1.0176
0.7779
0.7986
351.87
1.0140
1.0161
0.7736
0.7969
351.71
1.0083
1.0103
0.7654
0.8018
351.44
1.0000
1.0020
T/K
335.53
B-10
0.8750
APPENDIX B

Table (B-11) K-values of binary system MTBE (1) + Ethanol (2) by using SRKEOS for two phases at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
k1cal.
3.6187
2.8510
2.4699
2.3043
2.1083
1.7884
1.6290
1.4758
1.2681
1.1726
1.1495
1.1141
1.1062
1.0766
1.0618
1.0363
1.0241
1.0217
1.0183
1.0168
1.0181
K2lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.8006
0.6820
0.6283
0.6119
0.5964
0.5790
0.5726
0.5825
0.6455
0.6654
0.6790
0.7108
0.7154
0.7522
0.7690
0.8161
0.8364
0.8427
0.8404
0.8252
0.7119
Table (B-12) K-values of binary system MTBE(1) + Ethanol(2) by using PR-EOS

for two phases at 101.3KPa.
T/K
K1 lit.
k1cal.
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5881
2.8269
2.4490
2.2848
2.0904
1.7733
1.6153
1.4633
1.2574
1.1627
1.1398
1.1047
1.0968
1.0675
1.0528
1.0275
1.0154
1.0130
1.0097
1.0082
1.0095
B-11
K2lit.
K2 cal.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
1.0000
0.8004
0.6818
0.6282
0.6119
0.5965
0.5797
0.5737
0.5844
0.6503
0.6736
0.6886
0.7234
0.7290
0.7704
0.7911
0.8500
0.8848
0.8954
0.9049
0.9017
0.8125
APPENDIX B
Table (B-13) K-values of binary system MTBE(1)+ Ethanol(2) by using SRK-EOS

for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
K1 cal.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5288
2.7801
2.4086
2.2471
2.0559
1.7440
1.5886
1.4391
1.2366
1.1434
1.1209
1.0864
1.0787
1.0499
1.0354
1.0106
0.9987
0.9963
0.9930
0.9915
0.9928
K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.8015
0.6839
0.6309
0.6150
0.6003
0.5850
0.5805
0.5934
0.6655
0.6971
0.7154
0.7570
0.7649
0.8171
0.8475
0.9356
1.0116
1.0352
1.0842
1.1291
1.2188
Table (B-14) K-values of binary system MTBE(1)+ Ethanol by using SRK-EOS for
vapor phase and UNIQUAC model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
K1 cal.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
B-12
K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.8010
0.6830
0.6297
0.6136
0.5986
0.5827
0.5775
0.5894
0.6588
0.6866
0.7034
0.7419
0.7488
0.7960
0.8219
0.8961
0.9519
0.9690
0.9977
1.0169
1.0000
APPENDIX B
Table (B-15) K-values of binary system MTBE (1) +Ethanol (2) by using SRKEOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
K1 cal.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5657
2.8092
2.4337
2.2705
2.0773
1.7622
1.6052
1.4541
1.2495
1.1554
1.1326
1.0978
1.0900
1.0608
1.0462
1.0211
1.0091
1.0067
1.0033
1.0019
1.0031
K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.8008
0.6826
0.6292
0.6130
0.5979
0.5817
0.5763
0.5878
0.6559
0.6822
0.6984
0.7356
0.7420
0.7872
0.8113
0.8802
0.9284
0.9432
0.9647
0.9754
0.9286
Table (B-16) K-values of binary system MTBE(1)+Ethanol(2) by using PR-EOS

T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
K1 cal.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5289
2.7802
2.4086
2.2471
2.0559
1.7440
1.5886
1.4391
1.2366
1.1435
1.1210
1.0865
1.0787
1.0499
1.0354
1.0106
0.9987
0.9963
0.9930
0.9916
0.9928
B-13
K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.8006
0.6823
0.6289
0.6129
0.5980
0.5823
0.5775
0.5901
0.6621
0.6931
0.7113
0.7530
0.7609
0.8134
0.8439
0.9335
1.0118
1.0364
1.0885
1.1378
1.2500
APPENDIX B
Table (B-17) K-values of binary system MTBE(1)+Ethanol(2)) by using PR-EOS

for vapor phase and UNIQUAC model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
K1 cal.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5619
2.8062
2.4311
2.2681
2.0752
1.7603
1.6035
1.4526
1.2482
1.1542
1.1314
1.0966
1.0888
1.0597
1.0451
1.0200
1.0080
1.0056
1.0023
1.0008
1.0021
K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.8000
0.6812
0.6274
0.6111
0.5959
0.5793
0.5737
0.5850
0.6535
0.6796
0.6959
0.7336
0.7401
0.7862
0.8108
0.8822
0.9337
0.9497
0.9743
0.9882
0.9459
Table (B-18) K-values of binary system MTBE (1)+ Ethanol(2) by using PR-EOS
for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
K1 cal.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5693
2.8120
2.4362
2.2729
2.0795
1.7640
1.6068
1.4556
1.2508
1.1566
1.1338
1.0989
1.0911
1.0619
1.0473
1.0222
1.0101
1.0077
1.0044
1.0029
1.0042
B-14
K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.7999
0.6809
0.6271
0.6107
0.5954
0.5786
0.5728
0.5839
0.6516
0.6767
0.6926
0.7294
0.7356
0.7804
0.8038
0.8716
0.9180
0.9324
0.9521
0.9602
0.8974
APPENDIX B
Table (B-19) K-values of binary system MTBE(1)+Ethanol by using PRSV-EOS

with WS mixing rule based on GE from NRTL model at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
K1 cal.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5437
2.7919
2.4187
2.2566
2.0646
1.7514
1.5953
1.4452
1.2418
1.1483
1.1257
1.0910
1.0833
1.0543
1.0398
1.0148
1.0029
1.0005
0.9972
0.9957
0.9970
K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.7961
0.6744
0.6190
0.6020
0.5860
0.5680
0.5613
0.5719
0.6415
0.6669
0.6838
0.7238
0.7307
0.7812
0.8091
0.8953
0.9693
0.9943
1.0452
1.0949
1.2308
Table (B-20) K-values of binary system MTBE(1)+Ethanol(2) by using PRSVEOS with WS mixing rule based on GE from UNIQUAC model at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14
K1 lit.
K1 cal.
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000
B-15
K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393
K2 cal.
1.0000
0.7965
0.6752
0.6199
0.6031
0.5870
0.5690
0.5623
0.5728
0.6413
0.6657
0.6820
0.7206
0.7271
0.7751
0.8010
0.8794
0.9410
0.9613
0.9970
1.0241
1.0000
APPENDIX B
Table (B-21) K-values of binary system MTBE (1) +Octane (2) by using SRK-EOS
for two phases at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
k1cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.3560
4.1384
3.5176
2.8909
2.6970
2.4679
2.2674
2.0091
1.7739
1.6398
1.5447
1.4784
1.3405
1.2450
1.1794
1.0970
1.0608
1.0105
K2lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6127
0.5731
0.4667
0.3830
0.3463
0.3221
0.2978
0.2728
0.2563
0.2504
0.2433
0.2438
0.2529
0.2669
0.2972
0.3691
0.4510
0.7959
Table (B-22)K-values of binary system MTBE(1)+Octane(2) by using PR-EOS for

two phases at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
k1cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
B-16
K2lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.9989
0.9987
0.9980
0.9969
0.9963
0.9956
0.9947
0.9932
0.9909
0.9889
0.9868
0.9849
0.9790
0.9713
0.9623
0.9367
0.9112
0.8000
APPENDIX B
Table (B-23) K-values of binary system MTBE(1)+Octane(2) by using SRK-EOS

T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
K1 cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.2708
4.0574
3.4488
2.8344
2.6443
2.4196
2.2230
1.9698
1.7392
1.6078
1.5145
1.4494
1.3143
1.2207
1.1563
1.0755
1.0400
0.9908
K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6128
0.5732
0.4667
0.3829
0.3462
0.3220
0.2977
0.2728
0.2566
0.2512
0.2445
0.2454
0.2567
0.2743
0.3109
0.4083
0.5323
1.3333
Table (B-24) K-values of binary system MTBE (1) +Octane (2) by using SRK-EOS
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
K1 cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.3062
4.0911
3.4774
2.8579
2.6662
2.4397
2.2415
1.9861
1.7537
1.6211
1.5270
1.4615
1.3252
1.2308
1.1659
1.0845
1.0487
0.9990
B-17
K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6122
0.5725
0.4659
0.3819
0.3451
0.3207
0.2963
0.2712
0.2545
0.2487
0.2416
0.2421
0.2518
0.2671
0.3001
0.3836
0.4856
1.0286
APPENDIX B
Table (B-25) K-values of binary system MTBE (1)+ Octane (2) by using SRK-EOS
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
K1 cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.3241
4.1081
3.4918
2.8698
2.6773
2.4498
2.2508
1.9944
1.7610
1.6278
1.5334
1.4675
1.3307
1.2359
1.1708
1.0890
1.0530
1.0031
K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6119
0.5722
0.4654
0.3814
0.3445
0.3201
0.2956
0.2703
0.2535
0.2474
0.2401
0.2405
0.2494
0.2636
0.2949
0.3723
0.4653
0.9231
Table (B-26) K-values of binary system MTBE (1) + Octane (2) by using PR-EOS
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
K1 cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.2973
4.0827
3.4702
2.8520
2.6607
2.4347
2.2369
1.9820
1.7501
1.6178
1.5239
1.4585
1.3225
1.2283
1.1635
1.0822
1.0465
0.9969
B-18
K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6105
0.5707
0.4634
0.3787
0.3415
0.3169
0.2920
0.2663
0.2489
0.2424
0.2346
0.2345
0.2426
0.2559
0.2872
0.3674
0.4706
1.1034
APPENDIX B
Table (B-27) K-values of binary system MTBE (1) +Octane(2) by using PR-EOS
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
K1 cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.3196
4.1038
3.4882
2.8668
2.6745
2.4473
2.2484
1.9923
1.7591
1.6261
1.5318
1.4660
1.3293
1.2346
1.1695
1.0878
1.0519
1.0021
K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6101
0.5703
0.4629
0.3781
0.3408
0.3161
0.2912
0.2653
0.2476
0.2408
0.2328
0.2325
0.2397
0.2517
0.2809
0.3534
0.4445
0.9412
Table (B-28) K-values of binary system MTBE (1)+Octane(2)by using PR- EOS
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
K1 cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.3330
4.1166
3.4990
2.8757
2.6828
2.4549
2.2554
1.9985
1.7646
1.6312
1.5366
1.4706
1.3335
1.2385
1.1732
1.0912
1.0552
1.0052
B-19
K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6099
0.5700
0.4625
0.3777
0.3404
0.3156
0.2907
0.2647
0.2468
0.2399
0.2318
0.2314
0.2380
0.2492
0.2772
0.3455
0.4302
0.8649
APPENDIX B
Table (B-29) K-values of binary system MTBE(1)+Octane(2) by using PRSVEOS with WS mixing rule based on GE from NRTL model at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
K1 cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.3194
4.1036
3.4880
2.8667
2.6744
2.4472
2.2484
1.9922
1.7590
1.6261
1.5317
1.4659
1.3293
1.2346
1.1695
1.0878
1.0519
1.0020
K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6016
0.5606
0.4500
0.3617
0.3227
0.2962
0.2691
0.2398
0.2176
0.2071
0.1950
0.1913
0.1880
0.1860
0.2002
0.2294
0.2832
0.8667
Table (B-30) K-values of binary system MTBE(1)+Octane(2) by using PRSVEOS with WS mixing rule based on GE from UNIQUAC model at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14
K1 lit.
K1 cal.
4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000
4.3063
4.0911
3.4774
2.8579
2.6662
2.4397
2.2415
1.9862
1.7537
1.6211
1.5271
1.4615
1.3252
1.2308
1.1659
1.0845
1.0487
0.9990
B-20
K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163
K2 cal.
1.0000
0.6040
0.5634
0.4537
0.3664
0.3279
0.3019
0.2755
0.2472
0.2263
0.2170
0.2061
0.2035
0.2036
0.2063
0.2260
0.2729
0.3471
1.0588
APPENDIX B
B.2 Ternary SYSTEMES:

[MTBE (1) +Ethanol (2) + 2-methyl-2-propanol (3) ]

Table (B-31) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using SRK-EOS for two phases at 101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal..
K3 lit
K3cal.
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
345.22
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
2.955
4.170
4.359
4.084
4.187
4.117
4.115
3.378
3.838
3.410
3.420
3.159
3.503
3.682
3.368
3.443
3.696
3.021
3.511
3.119
2.824
3.000
3.474
3.100
3.427
2.940
3.352
2.941
2.698
3.414
3.336
3.268
3.160
3.340
2.628
3.262
3.212
3.089
2.756
2.875
3.128
2.647
3.095
2.870
3.018
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.759
0.977
0.954
0.977
0.927
0.957
0.932
0.969
0.887
0.951
0.933
0.959
0.915
0.862
0.928
0.909
0.833
0.959
0.884
0.936
0.950
0.939
0.852
0.915
0.834
0.890
0.829
0.923
0.945
0.797
0.792
0.818
0.842
0.756
0.920
0.749
0.783
0.807
0.877
0.853
0.730
0.879
0.751
0.826
0.770
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.571
0.749
0.710
0.761
0.705
0.733
0.709
0.823
0.690
0.791
0.764
0.826
0.733
0.661
0.763
0.734
0.639
0.833
0.696
0.805
0.840
0.813
0.658
0.776
0.643
0.719
0.637
0.790
0.821
0.610
0.605
0.640
0.672
0.605
0.803
0.594
0.602
0.633
0.748
0.706
0.590
0.758
0.574
0.673
0.598
B-21
APPENDIX B
Table (B-31) continued.

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.352
2.241
2.304
2.175
2.199
2.278
2.292
2.180
2.125
2.102
2.140
2.147
2.053
2.105
2.084
2.009
2.010
1.982
1.914
1.977
1.947
1.954
1.901
1.861
1.851
1.849
1.821
1.812
1.816
1.806
1.753
1.741
1.728
1.730
1.723
1.707
1.687
1.683
1.618
1.599
1.602
1.600
1.586
1.585
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.675
0.752
0.62
0.769
0.719
0.683
0.635
0.711
0.746
0.746
0.61
0.653
0.742
0.638
0.673
0.714
0.626
0.643
0.731
0.602
0.665
0.643
0.687
0.710
0.713
0.571
0.713
0.618
0.641
0.622
0.677
0.683
0.586
0.694
0.646
0.653
0.608
0.590
0.667
0.674
0.683
0.693
0.605
0.620
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.515
0.591
0.520
0.625
0.557
0.523
0.490
0.542
0.574
0.594
0.491
0.494
0.600
0.476
0.517
0.546
0.474
0.481
0.574
0.460
0.492
0.476
0.511
0.531
0.545
0.475
0.538
0.460
0.471
0.457
0.499
0.502
0.459
0.518
0.469
0.466
0.445
0.452
0.479
0.481
0.498
0.504
0.445
0.448
B-22
APPENDIX B
Table (B-32) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PR-EOS for two phases at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
345.22
K1 lit.
K1cal.
K2 lit
K2cal..
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
2.955
4.161
4.350
4.076
4.178
4.109
4.106
3.370
3.830
3.402
3.413
3.152
3.496
3.674
3.361
3.435
3.688
3.014
3.503
3.113
2.818
2.994
3.467
3.094
3.420
2.934
3.345
2.935
2.692
3.407
3.329
3.261
3.153
3.333
2.623
3.255
3.205
3.082
2.750
2.869
3.121
2.641
3.088
2.864
3.011
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.759
0.966
0.943
0.966
0.916
0.946
0.921
0.957
0.877
0.940
0.922
0.948
0.905
0.852
0.918
0.899
0.824
0.948
0.874
0.925
0.939
0.928
0.843
0.904
0.825
0.880
0.820
0.912
0.934
0.787
0.783
0.809
0.832
0.747
0.909
0.741
0.774
0.798
0.867
0.843
0.722
0.869
0.742
0.817
0.761
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.571
0.774
0.745
0.779
0.783
0.755
0.745
0.827
0.707
0.796
0.771
0.829
0.741
0.685
0.769
0.741
0.676
0.835
0.706
0.808
0.840
0.814
0.670
0.779
0.658
0.728
0.651
0.792
0.822
0.631
0.624
0.648
0.678
0.645
0.803
0.633
0.612
0.639
0.749
0.708
0.628
0.758
0.587
0.676
0.606
B-23
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.347
2.236
2.299
2.170
2.195
2.273
2.288
2.176
2.120
2.097
2.135
2.143
2.049
2.100
2.079
2.005
2.006
1.978
1.910
1.973
1.943
1.950
1.897
1.857
1.847
1.845
1.817
1.808
1.812
1.803
1.749
1.737
1.724
1.727
1.719
1.703
1.683
1.679
1.615
1.596
1.599
1.596
1.583
1.582
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.667
0.744
0.613
0.761
0.711
0.676
0.628
0.703
0.738
0.738
0.603
0.645
0.734
0.630
0.666
0.706
0.619
0.635
0.722
0.595
0.657
0.636
0.679
0.702
0.705
0.565
0.705
0.611
0.633
0.615
0.669
0.676
0.579
0.686
0.639
0.646
0.601
0.583
0.659
0.667
0.675
0.685
0.598
0.613
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.520
0.592
0.545
0.625
0.560
0.526
0.498
0.543
0.574
0.594
0.505
0.497
0.600
0.480
0.519
0.546
0.479
0.484
0.574
0.467
0.494
0.478
0.512
0.531
0.545
0.490
0.537
0.464
0.472
0.459
0.499
0.502
0.467
0.518
0.470
0.467
0.447
0.456
0.479
0.482
0.498
0.503
0.448
0.449
B-24
APPENDIX B
Table (B-33) K-values of ternary system MTBE (1) +Ethanol (2) +Methyl-2propanol (3) by using SRK-EOS for vapor phase and NRTL model for liquid phase
at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
K1 lit.
K1cal.
K2 lit
K2cal..
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
4.041
4.225
3.959
4.058
3.991
3.988
3.274
3.720
3.305
3.315
3.062
3.395
3.569
3.265
3.337
3.582
2.928
3.403
3.023
2.737
2.908
3.367
3.005
3.322
2.849
3.249
2.851
2.615
3.309
3.234
3.167
3.062
3.237
2.548
3.162
3.113
2.994
2.671
2.787
3.032
2.566
3.000
2.782
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.961
0.938
0.961
0.911
0.941
0.917
0.952
0.873
0.935
0.918
0.944
0.900
0.847
0.913
0.894
0.819
0.943
0.870
0.921
0.934
0.924
0.838
0.899
0.821
0.875
0.815
0.908
0.929
0.783
0.779
0.805
0.828
0.743
0.904
0.737
0.770
0.794
0.862
0.838
0.718
0.864
0.739
0.813
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.795
0.778
0.795
0.864
0.777
0.780
0.834
0.729
0.804
0.780
0.834
0.753
0.717
0.778
0.753
0.729
0.839
0.721
0.814
0.844
0.819
0.691
0.787
0.683
0.742
0.676
0.798
0.826
0.668
0.661
0.666
0.691
0.719
0.809
0.705
0.635
0.656
0.756
0.717
0.705
0.765
0.620
0.688
B-25
APPENDIX B

T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.925
2.280
2.172
2.233
2.108
2.132
2.208
2.222
2.113
2.059
2.037
2.074
2.081
1.990
2.040
2.020
1.947
1.948
1.921
1.855
1.916
1.888
1.894
1.842
1.804
1.794
1.792
1.765
1.756
1.760
1.751
1.699
1.687
1.675
1.677
1.670
1.654
1.635
1.631
1.569
1.550
1.553
1.551
1.538
1.536
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.757
0.663
0.740
0.610
0.757
0.707
0.672
0.625
0.699
0.734
0.734
0.600
0.642
0.730
0.627
0.662
0.702
0.616
0.632
0.719
0.592
0.654
0.633
0.676
0.699
0.701
0.562
0.701
0.608
0.630
0.612
0.665
0.672
0.576
0.683
0.636
0.642
0.598
0.580
0.656
0.663
0.672
0.682
0.595
0.610
0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.627
0.550
0.606
0.634
0.637
0.581
0.548
0.540
0.561
0.588
0.607
0.573
0.525
0.613
0.513
0.540
0.562
0.517
0.513
0.588
0.515
0.517
0.505
0.531
0.548
0.561
0.581
0.554
0.507
0.502
0.494
0.521
0.523
0.535
0.537
0.499
0.495
0.490
0.507
0.506
0.509
0.522
0.526
0.496
0.491
B-26
APPENDIX B
Table (B-34) K-values of ternary system MTBE(1)+Ethanol(2)+2-Mehyl-2propanol(3) by using SRK-EOS for vapor phase and UNIQUAC model for liquid
phase at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
K1 lit.
K1cal.
K2 lit
K2cal..
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
4.062
4.247
3.979
4.079
4.011
4.009
3.291
3.739
3.322
3.332
3.078
3.413
3.587
3.281
3.354
3.601
2.943
3.421
3.039
2.751
2.923
3.385
3.020
3.339
2.864
3.266
2.866
2.628
3.326
3.250
3.183
3.078
3.254
2.561
3.178
3.129
3.009
2.685
2.801
3.048
2.579
3.015
2.796
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.966
0.943
0.966
0.916
0.946
0.921
0.957
0.877
0.940
0.922
0.948
0.905
0.852
0.918
0.899
0.824
0.948
0.874
0.925
0.939
0.928
0.843
0.904
0.825
0.880
0.820
0.912
0.934
0.787
0.783
0.809
0.832
0.747
0.909
0.741
0.774
0.798
0.867
0.843
0.722
0.869
0.742
0.817
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.778
0.752
0.783
0.801
0.761
0.754
0.831
0.717
0.800
0.776
0.832
0.747
0.699
0.774
0.747
0.699
0.838
0.714
0.812
0.844
0.818
0.681
0.784
0.671
0.736
0.665
0.796
0.825
0.651
0.644
0.659
0.686
0.684
0.808
0.672
0.626
0.650
0.755
0.715
0.671
0.764
0.608
0.684
B-27
APPENDIX B

T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.940
2.291
2.183
2.244
2.119
2.143
2.220
2.233
2.124
2.070
2.048
2.085
2.092
2.000
2.051
2.030
1.957
1.958
1.931
1.865
1.926
1.897
1.904
1.852
1.813
1.803
1.802
1.774
1.765
1.769
1.760
1.708
1.696
1.684
1.686
1.678
1.663
1.643
1.639
1.577
1.558
1.561
1.559
1.546
1.544
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.761
0.667
0.744
0.613
0.761
0.711
0.676
0.628
0.703
0.738
0.738
0.603
0.645
0.734
0.630
0.666
0.706
0.619
0.635
0.722
0.595
0.657
0.636
0.679
0.702
0.705
0.565
0.705
0.611
0.633
0.615
0.669
0.676
0.579
0.686
0.639
0.646
0.601
0.583
0.659
0.667
0.675
0.685
0.598
0.613
0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.620
0.543
0.604
0.606
0.635
0.576
0.543
0.529
0.557
0.586
0.605
0.554
0.519
0.611
0.506
0.536
0.560
0.509
0.508
0.586
0.504
0.513
0.500
0.528
0.546
0.559
0.558
0.552
0.498
0.496
0.487
0.517
0.520
0.520
0.534
0.494
0.491
0.482
0.497
0.502
0.505
0.518
0.523
0.488
0.484
B-28
APPENDIX B
Table (B-35) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using SRK-EOS for vapor phase and UNIFAC model for liquid
phase at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
4.079
4.265
3.996
4.096
4.028
4.025
3.304
3.755
3.336
3.346
3.091
3.427
3.602
3.295
3.368
3.616
2.955
3.435
3.052
2.763
2.935
3.399
3.033
3.353
2.876
3.279
2.877
2.639
3.340
3.264
3.197
3.091
3.268
2.571
3.191
3.142
3.022
2.696
2.813
3.060
2.590
3.028
2.808
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.967
0.944
0.967
0.917
0.947
0.922
0.958
0.878
0.941
0.923
0.949
0.906
0.853
0.919
0.900
0.824
0.949
0.875
0.926
0.940
0.929
0.844
0.905
0.826
0.881
0.820
0.913
0.935
0.788
0.784
0.810
0.833
0.748
0.910
0.741
0.775
0.799
0.868
0.844
0.723
0.869
0.743
0.818
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.775
0.747
0.781
0.789
0.758
0.749
0.830
0.714
0.799
0.774
0.832
0.746
0.695
0.773
0.746
0.692
0.838
0.712
0.811
0.843
0.818
0.679
0.783
0.668
0.734
0.662
0.796
0.825
0.646
0.640
0.657
0.685
0.676
0.807
0.663
0.624
0.648
0.754
0.714
0.662
0.763
0.604
0.683
B-29
APPENDIX B

T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.952
2.301
2.192
2.254
2.127
2.152
2.229
2.243
2.133
2.078
2.056
2.094
2.101
2.008
2.059
2.039
1.965
1.966
1.939
1.873
1.934
1.905
1.911
1.860
1.821
1.810
1.809
1.781
1.772
1.777
1.767
1.715
1.703
1.691
1.693
1.685
1.670
1.650
1.646
1.583
1.565
1.568
1.565
1.552
1.551
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.762
0.667
0.744
0.614
0.761
0.711
0.676
0.629
0.704
0.739
0.738
0.604
0.646
0.734
0.631
0.666
0.706
0.620
0.636
0.723
0.595
0.658
0.637
0.680
0.703
0.705
0.565
0.705
0.611
0.634
0.615
0.669
0.676
0.580
0.687
0.640
0.646
0.602
0.584
0.660
0.667
0.676
0.686
0.599
0.614
0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.618
0.540
0.602
0.596
0.634
0.574
0.541
0.525
0.556
0.585
0.604
0.547
0.516
0.610
0.503
0.534
0.558
0.505
0.505
0.585
0.499
0.510
0.498
0.526
0.544
0.558
0.549
0.550
0.494
0.494
0.484
0.515
0.518
0.513
0.533
0.492
0.488
0.478
0.492
0.500
0.502
0.516
0.521
0.483
0.480
B-30
APPENDIX B
Table (B-36) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PR-EOS for vapor phase and NRTL model for liquid phase at
101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
4.079
4.265
3.996
4.096
4.028
4.025
3.304
3.755
3.336
3.346
3.091
3.427
3.602
3.295
3.368
3.616
2.955
3.435
3.052
2.763
2.935
3.399
3.033
3.353
2.876
3.279
2.877
2.639
3.340
3.264
3.197
3.091
3.268
2.571
3.191
3.142
3.022
2.696
2.813
3.060
2.590
3.028
2.808
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.967
0.944
0.967
0.917
0.947
0.922
0.958
0.878
0.941
0.923
0.949
0.905
0.853
0.919
0.900
0.824
0.949
0.875
0.926
0.940
0.929
0.843
0.905
0.826
0.881
0.820
0.913
0.935
0.788
0.784
0.810
0.833
0.748
0.910
0.741
0.775
0.799
0.867
0.844
0.723
0.869
0.743
0.818
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.763
0.727
0.772
0.752
0.745
0.729
0.827
0.701
0.795
0.769
0.829
0.739
0.676
0.768
0.740
0.662
0.835
0.703
0.808
0.841
0.815
0.666
0.780
0.653
0.727
0.647
0.793
0.823
0.624
0.618
0.646
0.677
0.638
0.805
0.625
0.609
0.638
0.751
0.709
0.623
0.760
0.584
0.677
B-31
APPENDIX B

T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
K1 lit.
K1cal.
K2 lit
K2cal..
K3 lit
K3cal.
2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.952
2.301
2.192
2.254
2.127
2.152
2.229
2.243
2.133
2.078
2.056
2.094
2.101
2.008
2.059
2.039
1.966
1.966
1.939
1.873
1.934
1.905
1.911
1.860
1.821
1.810
1.809
1.781
1.772
1.777
1.767
1.715
1.703
1.691
1.693
1.685
1.670
1.650
1.646
1.583
1.565
1.568
1.565
1.552
1.551
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.762
0.667
0.744
0.614
0.761
0.711
0.676
0.629
0.704
0.738
0.738
0.604
0.646
0.734
0.631
0.666
0.706
0.620
0.636
0.723
0.595
0.658
0.637
0.680
0.703
0.705
0.565
0.705
0.611
0.634
0.615
0.669
0.676
0.580
0.687
0.640
0.646
0.602
0.584
0.660
0.667
0.676
0.686
0.599
0.614
0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.604
0.522
0.595
0.553
0.628
0.563
0.529
0.500
0.546
0.577
0.597
0.512
0.500
0.604
0.483
0.522
0.550
0.483
0.488
0.578
0.472
0.498
0.482
0.516
0.535
0.550
0.505
0.542
0.470
0.477
0.465
0.504
0.507
0.479
0.523
0.476
0.473
0.455
0.466
0.486
0.489
0.505
0.510
0.458
0.458
B-32
APPENDIX B
Table (B-37) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PR-EOS for vapor phase and UNIQUAC model for liquid
phase at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
4.096
4.282
4.012
4.113
4.045
4.042
3.318
3.770
3.349
3.360
3.103
3.441
3.617
3.309
3.382
3.631
2.968
3.449
3.064
2.774
2.947
3.413
3.046
3.367
2.888
3.293
2.889
2.650
3.354
3.277
3.210
3.104
3.281
2.582
3.205
3.155
3.034
2.708
2.825
3.073
2.600
3.040
2.819
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.973
0.951
0.974
0.924
0.954
0.929
0.965
0.884
0.948
0.930
0.956
0.912
0.859
0.925
0.906
0.830
0.956
0.881
0.933
0.946
0.936
0.850
0.911
0.832
0.887
0.826
0.920
0.942
0.794
0.790
0.816
0.839
0.753
0.917
0.747
0.780
0.805
0.874
0.850
0.728
0.876
0.749
0.824
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.741
0.693
0.756
0.675
0.725
0.695
0.823
0.684
0.791
0.764
0.827
0.731
0.653
0.763
0.733
0.626
0.834
0.693
0.805
0.840
0.814
0.654
0.777
0.638
0.718
0.633
0.791
0.822
0.602
0.597
0.638
0.671
0.596
0.804
0.585
0.598
0.631
0.749
0.706
0.583
0.759
0.568
0.673
B-33
APPENDIX B

T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.964
2.311
2.201
2.263
2.136
2.161
2.238
2.252
2.142
2.087
2.065
2.102
2.109
2.017
2.068
2.047
1.974
1.974
1.947
1.880
1.942
1.913
1.919
1.867
1.828
1.818
1.817
1.789
1.780
1.784
1.775
1.722
1.710
1.698
1.700
1.692
1.677
1.657
1.653
1.590
1.571
1.574
1.572
1.558
1.557
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.767
0.672
0.750
0.618
0.767
0.716
0.681
0.633
0.709
0.744
0.744
0.608
0.651
0.740
0.635
0.671
0.711
0.624
0.641
0.728
0.600
0.663
0.641
0.685
0.708
0.710
0.569
0.710
0.616
0.638
0.620
0.674
0.681
0.584
0.692
0.644
0.651
0.606
0.588
0.665
0.672
0.681
0.691
0.603
0.618
0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.595
0.513
0.593
0.522
0.627
0.557
0.523
0.488
0.542
0.575
0.596
0.492
0.493
0.602
0.475
0.518
0.547
0.474
0.482
0.576
0.460
0.493
0.477
0.513
0.533
0.548
0.482
0.540
0.461
0.472
0.458
0.501
0.505
0.463
0.521
0.471
0.469
0.447
0.456
0.482
0.485
0.502
0.507
0.449
0.451
B-34
APPENDIX B
Table (B-38) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PR-EOS for vapor phase and UNIFAC model for liquid phase
at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
4.104
4.291
4.021
4.121
4.053
4.050
3.325
3.778
3.356
3.367
3.110
3.449
3.625
3.316
3.389
3.638
2.974
3.456
3.071
2.780
2.953
3.420
3.052
3.374
2.894
3.300
2.895
2.656
3.361
3.284
3.217
3.110
3.288
2.587
3.211
3.162
3.041
2.713
2.831
3.079
2.606
3.046
2.825
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.972
0.950
0.973
0.923
0.953
0.928
0.964
0.883
0.947
0.929
0.955
0.911
0.858
0.924
0.905
0.830
0.955
0.880
0.932
0.946
0.935
0.849
0.911
0.831
0.886
0.825
0.919
0.941
0.793
0.789
0.815
0.838
0.752
0.916
0.746
0.780
0.804
0.873
0.849
0.727
0.875
0.748
0.823
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.744
0.698
0.758
0.684
0.727
0.699
0.823
0.686
0.791
0.764
0.827
0.732
0.655
0.763
0.734
0.630
0.834
0.694
0.805
0.840
0.814
0.655
0.777
0.640
0.719
0.634
0.791
0.822
0.604
0.599
0.638
0.671
0.600
0.803
0.588
0.599
0.632
0.749
0.706
0.587
0.759
0.570
0.673
B-35
APPENDIX B

T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.971
2.315
2.206
2.268
2.141
2.165
2.243
2.257
2.146
2.091
2.069
2.107
2.114
2.021
2.072
2.051
1.978
1.978
1.951
1.884
1.946
1.917
1.923
1.871
1.832
1.822
1.820
1.792
1.783
1.788
1.778
1.726
1.714
1.701
1.703
1.696
1.680
1.660
1.656
1.593
1.574
1.577
1.575
1.562
1.560
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.766
0.672
0.749
0.617
0.766
0.716
0.680
0.633
0.708
0.743
0.743
0.608
0.650
0.739
0.635
0.670
0.711
0.623
0.640
0.727
0.599
0.662
0.641
0.684
0.707
0.710
0.569
0.710
0.615
0.638
0.619
0.674
0.680
0.583
0.691
0.644
0.650
0.606
0.587
0.664
0.672
0.680
0.690
0.603
0.618
0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.596
0.513
0.592
0.523
0.626
0.557
0.523
0.488
0.542
0.575
0.595
0.492
0.493
0.602
0.475
0.518
0.547
0.474
0.481
0.575
0.460
0.493
0.476
0.513
0.532
0.547
0.481
0.540
0.460
0.471
0.458
0.501
0.504
0.462
0.520
0.470
0.468
0.446
0.455
0.481
0.484
0.501
0.506
0.448
0.450
B-36
APPENDIX B
Table (B-39) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PRSV-EOS with WS mixing rule based on GE from NRTL
model at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
4.096
4.282
4.012
4.113
4.045
4.042
3.318
3.770
3.349
3.359
3.103
3.441
3.617
3.309
3.382
3.631
2.967
3.449
3.064
2.774
2.947
3.413
3.045
3.367
2.888
3.293
2.889
2.650
3.354
3.277
3.210
3.104
3.281
2.582
3.204
3.155
3.034
2.707
2.825
3.073
2.600
3.040
2.819
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.764
0.726
0.772
0.760
0.745
0.727
0.825
0.695
0.793
0.767
0.827
0.735
0.666
0.765
0.736
0.646
0.833
0.697
0.805
0.839
0.812
0.658
0.777
0.643
0.722
0.636
0.789
0.820
0.607
0.600
0.637
0.670
0.606
0.801
0.592
0.596
0.629
0.746
0.704
0.587
0.756
0.565
0.670
B-37
APPENDIX B

T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.964
2.310
2.201
2.263
2.136
2.160
2.238
2.252
2.142
2.087
2.065
2.102
2.109
2.017
2.068
2.047
1.974
1.974
1.947
1.880
1.942
1.913
1.919
1.867
1.828
1.818
1.816
1.789
1.780
1.784
1.774
1.722
1.710
1.697
1.700
1.692
1.677
1.657
1.653
1.590
1.571
1.574
1.572
1.558
1.557
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.592
0.501
0.586
0.499
0.620
0.549
0.513
0.471
0.533
0.567
0.588
0.467
0.480
0.595
0.459
0.507
0.538
0.456
0.466
0.568
0.437
0.481
0.462
0.502
0.522
0.538
0.444
0.530
0.439
0.456
0.440
0.489
0.492
0.431
0.510
0.455
0.453
0.424
0.430
0.467
0.470
0.488
0.494
0.424
0.428
B-38
APPENDIX B
Table (B-40) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PRSV-EOS with WS mixing rule based on GE from
UNIQUAC model at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
4.121
4.309
4.037
4.138
4.070
4.067
3.338
3.793
3.370
3.380
3.122
3.463
3.639
3.329
3.403
3.653
2.986
3.470
3.083
2.791
2.965
3.434
3.064
3.387
2.906
3.313
2.907
2.667
3.375
3.298
3.230
3.123
3.301
2.598
3.224
3.174
3.053
2.724
2.842
3.092
2.616
3.059
2.837
0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.966
0.943
0.966
0.916
0.946
0.921
0.957
0.877
0.940
0.922
0.948
0.905
0.852
0.918
0.899
0.824
0.948
0.874
0.925
0.939
0.928
0.843
0.904
0.825
0.880
0.820
0.912
0.934
0.787
0.783
0.809
0.832
0.747
0.909
0.741
0.774
0.798
0.867
0.843
0.722
0.869
0.742
0.817
0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.759
0.720
0.768
0.737
0.740
0.720
0.824
0.692
0.792
0.765
0.826
0.734
0.663
0.764
0.735
0.640
0.833
0.696
0.805
0.839
0.812
0.656
0.776
0.641
0.720
0.635
0.789
0.820
0.605
0.599
0.637
0.670
0.601
0.801
0.587
0.596
0.629
0.746
0.703
0.583
0.756
0.565
0.670
B-39
APPENDIX B

T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552
2.983
2.325
2.215
2.277
2.149
2.174
2.252
2.266
2.155
2.100
2.077
2.115
2.122
2.029
2.080
2.060
1.986
1.986
1.959
1.892
1.954
1.925
1.931
1.879
1.839
1.829
1.828
1.800
1.791
1.795
1.785
1.733
1.720
1.708
1.710
1.703
1.687
1.667
1.663
1.600
1.581
1.584
1.581
1.568
1.567
0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611
0.761
0.667
0.744
0.613
0.761
0.710
0.676
0.628
0.703
0.738
0.738
0.603
0.645
0.734
0.630
0.666
0.706
0.619
0.635
0.722
0.595
0.657
0.636
0.679
0.702
0.705
0.565
0.705
0.611
0.633
0.615
0.669
0.676
0.579
0.686
0.639
0.646
0.601
0.583
0.659
0.667
0.675
0.685
0.598
0.613
0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392
0.592
0.502
0.586
0.498
0.620
0.549
0.514
0.472
0.534
0.567
0.589
0.468
0.481
0.595
0.461
0.508
0.539
0.457
0.468
0.568
0.439
0.481
0.463
0.502
0.523
0.538
0.445
0.530
0.440
0.457
0.441
0.489
0.493
0.433
0.510
0.456
0.453
0.426
0.431
0.467
0.470
0.489
0.495
0.425
0.430
B-40
APPENDIX B

Table (B-41) K-values of ternary system Ethanol(1)+2-Methyl-2-propanol(2)
Octane(3) by using SRK-EOS for two phases at 101.3KPa.
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.769
1.468
1.520
1.583
1.668
1.710
1.451
2.891
1.272
3.112
1.499
1.281
1.157
3.048
2.004
1.404
1.668
1.184
1.913
3.536
1.685
3.389
1.386
1.297
1.547
2.192
2.210
1.467
1.154
3.926
1.931
1.793
1.642
1.444
2.173
1.512
2.505
2.392
1.938
2.919
1.688
2.601
1.754
1.424
1.804
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.180
1.070
1.086
1.102
1.178
1.211
1.098
1.660
1.036
1.763
1.122
1.040
1.010
1.765
1.317
1.081
1.213
1.009
1.281
1.929
1.180
1.878
1.072
1.046
1.140
1.367
1.400
1.095
1.011
2.018
1.312
1.219
1.163
1.086
1.392
1.113
1.484
1.497
1.261
1.621
1.172
1.488
1.182
1.062
1.200
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.458
0.592
0.556
0.527
0.556
0.532
0.627
0.414
0.733
0.398
0.591
0.719
0.810
0.403
0.485
0.645
0.543
0.801
0.493
0.368
0.547
0.389
0.655
0.703
0.577
0.464
0.456
0.618
0.803
0.368
0.482
0.516
0.551
0.625
0.448
0.593
0.427
0.430
0.488
0.395
0.532
0.407
0.517
0.637
0.499
B-41
APPENDIX B

T/K
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
2.656
1.418
1.783
1.225
1.275
1.787
2.008
2.574
1.456
1.735
1.290
1.894
2.324
2.122
1.362
1.793
1.292
1.424
1.544
1.186
1.381
1.152
1.442
1.833
1.188
1.578
1.382
1.218
1.151
1.151
1.378
1.458
1.681
1.188
1.102
1.247
1.601
1.218
1.143
1.143
1.549
1.387
1.189
1.101
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.315
1.007
1.103
0.964
0.968
1.091
1.145
1.248
0.998
1.042
0.955
1.094
1.175
1.102
0.950
1.017
0.939
0.955
0.976
0.924
0.931
0.914
0.931
0.969
0.903
0.936
0.908
0.895
0.893
0.896
0.893
0.894
0.915
0.879
0.914
0.868
0.884
0.865
0.873
0.872
0.868
0.853
0.849
0.890
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.353
0.632
0.483
0.788
0.738
0.477
0.424
0.347
0.602
0.483
0.717
0.439
0.360
0.378
0.651
0.447
0.702
0.600
0.527
0.828
0.621
0.883
0.570
0.406
0.820
0.489
0.598
0.769
0.888
0.877
0.598
0.537
0.430
0.804
0.936
0.717
0.447
0.752
0.888
0.890
0.462
0.560
0.786
0.966
B-42
APPENDIX B
Table (B-42) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PR-EOS for two phases at 101.3KPa.
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.6
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.435
1.485
1.547
1.630
1.671
1.418
2.825
1.243
3.041
1.465
1.252
1.131
2.979
1.958
1.372
1.630
1.157
1.869
3.455
1.647
3.312
1.354
1.268
1.511
2.142
2.160
1.433
1.128
3.837
1.887
1.752
1.605
1.411
2.123
1.477
2.448
2.338
1.893
2.853
1.649
2.542
1.714
1.392
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.062
1.078
1.094
1.169
1.202
1.090
1.647
1.028
1.749
1.113
1.033
1.002
1.752
1.307
1.073
1.204
1.001
1.271
1.914
1.171
1.864
1.064
1.039
1.131
1.357
1.389
1.087
1.003
2.003
1.303
1.210
1.155
1.078
1.382
1.105
1.473
1.486
1.251
1.609
1.164
1.477
1.173
1.054
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.595
0.556
0.525
0.555
0.530
0.632
0.410
0.754
0.394
0.593
0.737
0.864
0.399
0.483
0.652
0.542
0.852
0.491
0.365
0.547
0.386
0.663
0.719
0.579
0.461
0.453
0.623
0.852
0.366
0.480
0.516
0.552
0.632
0.446
0.597
0.425
0.427
0.487
0.393
0.533
0.405
0.518
0.647
B-43
APPENDIX B

T/K
356.08
353.89
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.763
2.595
1.386
1.743
1.197
1.246
1.746
1.962
2.515
1.423
1.696
1.260
1.851
2.271
2.073
1.331
1.752
1.262
1.391
1.509
1.159
1.349
1.125
1.409
1.791
1.161
1.542
1.351
1.190
1.125
1.125
1.346
1.424
1.643
1.161
1.077
1.219
1.564
1.190
1.117
1.117
1.513
1.355
1.161
1.076
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.192
1.305
0.999
1.095
0.957
0.961
1.083
1.137
1.239
0.991
1.034
0.948
1.086
1.166
1.094
0.943
1.009
0.932
0.948
0.969
0.917
0.924
0.907
0.924
0.961
0.896
0.929
0.901
0.889
0.886
0.890
0.887
0.888
0.908
0.872
0.908
0.861
0.878
0.858
0.867
0.866
0.861
0.847
0.842
0.883
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.500
0.355
0.647
0.488
0.831
0.770
0.481
0.427
0.348
0.615
0.488
0.747
0.443
0.362
0.382
0.672
0.453
0.731
0.616
0.537
0.887
0.640
0.969
0.585
0.412
0.877
0.499
0.616
0.814
0.975
0.961
0.617
0.551
0.437
0.859
1.101
0.753
0.456
0.796
0.974
0.974
0.472
0.577
0.839
1.140
B-44
APPENDIX B
Table (B-43) K-values of ternary system

Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using SRK-EOS for vapor phase and NRTL model for
liquid phase at 101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.411
1.461
1.522
1.603
1.643
1.395
2.778
1.222
2.991
1.441
1.232
1.112
2.930
1.926
1.350
1.603
1.138
1.839
3.399
1.620
3.258
1.332
1.247
1.487
2.107
2.125
1.410
1.109
3.774
1.856
1.723
1.578
1.388
2.088
1.453
2.408
2.299
1.862
2.806
1.622
2.500
1.686
1.369
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.059
1.075
1.091
1.167
1.199
1.087
1.644
1.026
1.746
1.111
1.030
1.000
1.748
1.304
1.071
1.201
0.999
1.269
1.910
1.169
1.860
1.062
1.037
1.129
1.354
1.386
1.084
1.001
1.999
1.300
1.208
1.152
1.076
1.379
1.102
1.470
1.482
1.249
1.605
1.161
1.474
1.171
1.052
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.602
0.562
0.530
0.558
0.533
0.638
0.411
0.766
0.396
0.599
0.750
0.894
0.401
0.485
0.660
0.546
0.880
0.494
0.367
0.551
0.388
0.672
0.730
0.584
0.463
0.456
0.630
0.881
0.368
0.483
0.519
0.557
0.639
0.448
0.604
0.427
0.430
0.490
0.396
0.539
0.408
0.523
0.657
B-45
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.734
2.552
1.363
1.714
1.177
1.226
1.718
1.930
2.474
1.399
1.668
1.240
1.821
2.233
2.039
1.309
1.724
1.241
1.368
1.484
1.140
1.327
1.107
1.386
1.762
1.142
1.517
1.328
1.170
1.106
1.106
1.324
1.401
1.616
1.142
1.059
1.199
1.539
1.171
1.099
1.098
1.489
1.333
1.142
1.058
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.189
1.302
0.997
1.093
0.955
0.959
1.080
1.134
1.236
0.989
1.032
0.946
1.083
1.163
1.091
0.941
1.007
0.930
0.946
0.967
0.915
0.922
0.906
0.922
0.959
0.894
0.927
0.899
0.887
0.884
0.888
0.885
0.886
0.907
0.870
0.906
0.859
0.876
0.856
0.865
0.864
0.860
0.845
0.840
0.881
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.505
0.360
0.661
0.495
0.862
0.794
0.489
0.434
0.354
0.629
0.497
0.771
0.451
0.368
0.388
0.691
0.461
0.755
0.632
0.549
0.931
0.659
1.031
0.600
0.420
0.921
0.511
0.634
0.850
1.039
1.023
0.636
0.566
0.448
0.902
1.233
0.783
0.467
0.831
1.039
1.039
0.484
0.595
0.881
1.282
B-46
APPENDIX B
Table (B-44) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using SRK-EOS for vapor phase and UNIQUAC model
for liquid phase at 101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.430
1.481
1.542
1.625
1.666
1.414
2.816
1.239
3.032
1.460
1.248
1.127
2.969
1.952
1.368
1.625
1.154
1.863
3.444
1.641
3.302
1.350
1.264
1.507
2.136
2.153
1.429
1.124
3.825
1.881
1.746
1.600
1.406
2.116
1.473
2.440
2.330
1.887
2.844
1.644
2.534
1.708
1.387
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.067
1.083
1.099
1.175
1.208
1.095
1.656
1.034
1.759
1.119
1.038
1.008
1.761
1.314
1.078
1.210
1.006
1.278
1.924
1.177
1.874
1.070
1.044
1.137
1.364
1.397
1.092
1.009
2.014
1.309
1.216
1.161
1.084
1.389
1.110
1.481
1.493
1.258
1.617
1.170
1.485
1.179
1.060
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.579
0.543
0.515
0.549
0.526
0.622
0.409
0.735
0.394
0.586
0.721
0.826
0.399
0.480
0.642
0.538
0.817
0.488
0.365
0.543
0.386
0.653
0.705
0.573
0.459
0.452
0.616
0.820
0.366
0.478
0.512
0.547
0.624
0.444
0.591
0.424
0.426
0.485
0.394
0.530
0.406
0.516
0.640
B-47
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.758
2.587
1.381
1.737
1.193
1.242
1.741
1.956
2.507
1.418
1.690
1.256
1.845
2.263
2.067
1.327
1.747
1.258
1.387
1.504
1.155
1.345
1.122
1.405
1.786
1.157
1.537
1.346
1.186
1.121
1.121
1.342
1.420
1.637
1.157
1.074
1.215
1.560
1.187
1.113
1.113
1.509
1.351
1.158
1.073
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.198
1.312
1.004
1.101
0.962
0.966
1.088
1.143
1.245
0.996
1.039
0.953
1.091
1.172
1.099
0.948
1.015
0.937
0.953
0.974
0.922
0.929
0.912
0.929
0.966
0.901
0.934
0.906
0.893
0.891
0.894
0.891
0.892
0.913
0.877
0.912
0.866
0.882
0.863
0.871
0.870
0.866
0.851
0.847
0.888
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.499
0.357
0.644
0.489
0.822
0.764
0.483
0.429
0.351
0.614
0.490
0.743
0.446
0.365
0.385
0.671
0.456
0.730
0.617
0.540
0.881
0.642
0.961
0.587
0.416
0.874
0.503
0.619
0.814
0.969
0.956
0.620
0.555
0.442
0.859
1.088
0.755
0.460
0.798
0.972
0.973
0.477
0.581
0.841
1.132
B-48
APPENDIX B
Table (B-45) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using SRK-EOS for vapor phase and UNIFAC model
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.435
1.485
1.547
1.630
1.671
1.418
2.824
1.243
3.041
1.465
1.252
1.131
2.978
1.958
1.372
1.630
1.157
1.869
3.455
1.647
3.312
1.354
1.268
1.511
2.142
2.160
1.433
1.128
3.836
1.887
1.752
1.604
1.411
2.123
1.477
2.448
2.338
1.893
2.853
1.649
2.542
1.714
1.392
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.071
1.087
1.103
1.179
1.212
1.099
1.661
1.037
1.764
1.123
1.041
1.011
1.766
1.318
1.082
1.214
1.010
1.282
1.930
1.181
1.879
1.073
1.047
1.141
1.368
1.401
1.096
1.012
2.020
1.314
1.220
1.164
1.087
1.393
1.114
1.485
1.498
1.262
1.622
1.173
1.489
1.183
1.063
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.570
0.536
0.509
0.545
0.523
0.616
0.408
0.723
0.393
0.581
0.710
0.802
0.398
0.478
0.636
0.535
0.794
0.486
0.364
0.540
0.386
0.646
0.695
0.569
0.458
0.450
0.610
0.799
0.366
0.476
0.510
0.544
0.618
0.443
0.587
0.423
0.425
0.483
0.393
0.527
0.405
0.514
0.635
B-49
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.763
2.595
1.386
1.743
1.197
1.246
1.746
1.962
2.515
1.423
1.696
1.260
1.851
2.270
2.073
1.331
1.752
1.262
1.391
1.509
1.159
1.349
1.125
1.409
1.791
1.161
1.542
1.351
1.190
1.125
1.125
1.346
1.424
1.643
1.161
1.077
1.219
1.564
1.190
1.117
1.117
1.513
1.355
1.161
1.076
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.202
1.316
1.008
1.104
0.965
0.969
1.092
1.146
1.249
0.999
1.043
0.956
1.095
1.176
1.103
0.951
1.018
0.940
0.956
0.977
0.925
0.932
0.915
0.932
0.969
0.903
0.937
0.909
0.896
0.893
0.897
0.894
0.895
0.916
0.879
0.915
0.868
0.885
0.865
0.874
0.873
0.869
0.854
0.849
0.890
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.496
0.357
0.639
0.487
0.809
0.754
0.481
0.428
0.351
0.610
0.488
0.735
0.444
0.365
0.384
0.666
0.454
0.722
0.613
0.537
0.867
0.637
0.941
0.584
0.414
0.861
0.500
0.615
0.804
0.950
0.938
0.616
0.552
0.440
0.847
1.051
0.748
0.459
0.789
0.954
0.955
0.475
0.578
0.831
1.094
B-50
APPENDIX B
Table (B-46) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PR-EOS for vapor phase and NRTL model for
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.056
1.072
1.088
1.163
1.196
1.084
1.639
1.023
1.740
1.108
1.027
0.997
1.742
1.300
1.067
1.198
0.996
1.265
1.904
1.165
1.854
1.059
1.033
1.125
1.350
1.382
1.081
0.998
1.993
1.296
1.204
1.149
1.073
1.374
1.099
1.465
1.478
1.245
1.600
1.158
1.469
1.167
1.049
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.584
0.543
0.511
0.546
0.521
0.625
0.401
0.757
0.386
0.585
0.738
0.893
0.391
0.473
0.646
0.533
0.876
0.481
0.356
0.538
0.378
0.658
0.717
0.570
0.452
0.444
0.616
0.874
0.358
0.471
0.506
0.543
0.625
0.436
0.589
0.416
0.418
0.477
0.385
0.524
0.397
0.509
0.640
B-51
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.185
1.298
0.994
1.089
0.952
0.956
1.077
1.131
1.232
0.985
1.029
0.943
1.080
1.160
1.088
0.938
1.004
0.928
0.943
0.963
0.912
0.919
0.903
0.919
0.956
0.891
0.924
0.897
0.884
0.881
0.885
0.882
0.883
0.904
0.867
0.903
0.857
0.873
0.854
0.862
0.861
0.857
0.843
0.838
0.878
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.491
0.346
0.639
0.478
0.833
0.767
0.471
0.417
0.340
0.606
0.478
0.742
0.434
0.353
0.372
0.663
0.443
0.724
0.606
0.527
0.889
0.631
0.978
0.574
0.402
0.876
0.488
0.606
0.809
0.981
0.966
0.606
0.540
0.427
0.855
1.132
0.744
0.445
0.788
0.977
0.978
0.461
0.565
0.832
1.170
B-52
APPENDIX B
Table (B-47) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PR-EOS for vapor phase and UNIQUAC model
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.446
1.498
1.560
1.643
1.685
1.430
2.848
1.253
3.066
1.477
1.263
1.140
3.003
1.974
1.384
1.644
1.167
1.885
3.484
1.660
3.339
1.366
1.278
1.524
2.160
2.178
1.445
1.137
3.868
1.903
1.766
1.618
1.422
2.141
1.490
2.468
2.357
1.909
2.876
1.663
2.563
1.728
1.403
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.063
1.079
1.095
1.170
1.203
1.091
1.649
1.029
1.751
1.114
1.034
1.003
1.753
1.308
1.074
1.205
1.002
1.273
1.916
1.172
1.866
1.065
1.040
1.132
1.358
1.391
1.088
1.004
2.005
1.304
1.211
1.156
1.079
1.383
1.106
1.474
1.487
1.252
1.610
1.165
1.478
1.174
1.055
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.564
0.527
0.499
0.539
0.515
0.613
0.400
0.731
0.384
0.575
0.715
0.832
0.389
0.470
0.633
0.527
0.820
0.477
0.355
0.532
0.377
0.644
0.697
0.562
0.449
0.441
0.605
0.822
0.357
0.467
0.501
0.536
0.613
0.434
0.580
0.414
0.416
0.473
0.384
0.518
0.395
0.504
0.628
B-53
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.778
2.617
1.397
1.757
1.207
1.256
1.761
1.979
2.536
1.435
1.710
1.271
1.866
2.289
2.090
1.342
1.767
1.273
1.403
1.521
1.169
1.360
1.135
1.421
1.806
1.170
1.555
1.362
1.200
1.134
1.134
1.357
1.436
1.656
1.171
1.086
1.229
1.577
1.200
1.126
1.126
1.526
1.366
1.171
1.085
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.193
1.306
1.000
1.096
0.958
0.962
1.084
1.138
1.240
0.992
1.035
0.949
1.087
1.167
1.095
0.944
1.010
0.933
0.949
0.969
0.918
0.925
0.908
0.925
0.962
0.897
0.930
0.902
0.889
0.887
0.890
0.887
0.888
0.909
0.873
0.908
0.862
0.879
0.859
0.867
0.866
0.862
0.848
0.843
0.884
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.486
0.345
0.629
0.474
0.807
0.747
0.468
0.415
0.339
0.598
0.474
0.725
0.431
0.352
0.371
0.652
0.440
0.710
0.598
0.522
0.860
0.622
0.938
0.568
0.400
0.851
0.485
0.598
0.790
0.943
0.930
0.599
0.535
0.425
0.833
1.052
0.731
0.442
0.772
0.943
0.944
0.458
0.560
0.813
1.091
B-54
APPENDIX B
Table (B-48) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PR-EOS for vapor phase and UNIFAC model for
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.6
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.449
1.501
1.563
1.647
1.688
1.433
2.854
1.256
3.073
1.480
1.265
1.142
3.010
1.978
1.386
1.647
1.169
1.889
3.491
1.664
3.346
1.369
1.281
1.527
2.165
2.182
1.448
1.140
3.876
1.907
1.770
1.621
1.425
2.145
1.493
2.473
2.362
1.913
2.882
1.666
2.569
1.732
1.406
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.059
1.075
1.091
1.166
1.199
1.087
1.644
1.026
1.746
1.111
1.030
1.000
1.748
1.304
1.071
1.201
0.999
1.269
1.910
1.169
1.860
1.062
1.036
1.129
1.354
1.386
1.084
1.001
1.999
1.300
1.208
1.152
1.076
1.379
1.102
1.470
1.482
1.249
1.605
1.161
1.474
1.171
1.052
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.573
0.534
0.504
0.542
0.517
0.618
0.400
0.742
0.385
0.579
0.725
0.858
0.390
0.471
0.638
0.530
0.844
0.479
0.356
0.534
0.377
0.650
0.705
0.565
0.450
0.442
0.609
0.843
0.357
0.468
0.503
0.539
0.618
0.434
0.583
0.414
0.417
0.475
0.384
0.520
0.395
0.505
0.633
B-55
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.08
353.89
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.782
2.622
1.400
1.761
1.209
1.259
1.765
1.983
2.541
1.438
1.713
1.274
1.870
2.294
2.095
1.345
1.771
1.275
1.406
1.524
1.171
1.363
1.137
1.424
1.810
1.173
1.558
1.365
1.202
1.136
1.136
1.360
1.439
1.660
1.173
1.088
1.232
1.581
1.203
1.129
1.128
1.529
1.369
1.174
1.087
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.189
1.302
0.997
1.092
0.955
0.959
1.080
1.134
1.236
0.989
1.032
0.946
1.083
1.163
1.091
0.941
1.007
0.930
0.946
0.966
0.915
0.922
0.905
0.922
0.959
0.894
0.927
0.899
0.887
0.884
0.888
0.885
0.886
0.906
0.870
0.906
0.859
0.876
0.856
0.865
0.864
0.859
0.845
0.840
0.881
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.488
0.345
0.631
0.474
0.813
0.752
0.468
0.415
0.339
0.599
0.475
0.728
0.431
0.352
0.371
0.654
0.440
0.712
0.599
0.522
0.865
0.622
0.943
0.568
0.399
0.853
0.484
0.598
0.791
0.947
0.933
0.599
0.534
0.424
0.834
1.059
0.731
0.442
0.772
0.944
0.945
0.457
0.559
0.812
1.095
B-56
APPENDIX B
Table (B-49) K-values of ternary

system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PRSV-EOS with WS mixing rule based on GE
from NRTL model at 101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal..
K3 lit
K3cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.449
1.501
1.563
1.647
1.688
1.433
2.854
1.256
3.073
1.480
1.265
1.142
3.009
1.978
1.386
1.647
1.169
1.889
3.491
1.664
3.346
1.368
1.281
1.527
2.164
2.182
1.448
1.139
3.876
1.907
1.770
1.621
1.425
2.145
1.492
2.473
2.362
1.913
2.882
1.666
2.568
1.732
1.406
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.574
0.531
0.499
0.538
0.513
0.619
0.394
0.758
0.378
0.577
0.738
0.919
0.383
0.465
0.641
0.525
0.897
0.473
0.349
0.530
0.370
0.652
0.715
0.562
0.443
0.436
0.609
0.892
0.350
0.462
0.497
0.534
0.618
0.428
0.581
0.407
0.409
0.468
0.376
0.514
0.388
0.499
0.632
B-57
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal..
K3 lit
K3cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.781
2.622
1.400
1.761
1.209
1.259
1.764
1.983
2.541
1.437
1.713
1.273
1.870
2.294
2.095
1.345
1.770
1.275
1.406
1.524
1.171
1.363
1.137
1.424
1.810
1.173
1.558
1.365
1.202
1.136
1.136
1.360
1.439
1.660
1.173
1.088
1.231
1.581
1.203
1.128
1.128
1.529
1.369
1.173
1.087
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.481
0.335
0.627
0.466
0.826
0.757
0.459
0.406
0.329
0.593
0.465
0.729
0.421
0.341
0.360
0.649
0.429
0.710
0.592
0.512
0.878
0.615
0.968
0.559
0.388
0.862
0.473
0.589
0.793
0.968
0.952
0.590
0.523
0.412
0.837
1.124
0.726
0.430
0.770
0.960
0.961
0.445
0.548
0.812
1.158
B-58
APPENDIX B
Table (B-50) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PRSV-EOS with WS mixing rule based on GE
from UNIQUAC model at 101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.452
1.504
1.566
1.650
1.692
1.436
2.860
1.258
3.079
1.483
1.268
1.145
3.016
1.982
1.389
1.650
1.172
1.892
3.498
1.667
3.353
1.371
1.284
1.530
2.169
2.187
1.451
1.142
3.884
1.911
1.774
1.624
1.428
2.149
1.496
2.478
2.367
1.917
2.888
1.670
2.574
1.735
1.409
1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.054
1.070
1.086
1.161
1.193
1.082
1.635
1.021
1.737
1.105
1.025
0.995
1.739
1.298
1.065
1.195
0.994
1.262
1.900
1.163
1.850
1.057
1.031
1.123
1.347
1.379
1.079
0.996
1.989
1.293
1.201
1.146
1.070
1.372
1.097
1.462
1.475
1.242
1.597
1.155
1.466
1.165
1.047
0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.579
0.536
0.504
0.541
0.516
0.621
0.396
0.755
0.381
0.580
0.735
0.899
0.386
0.468
0.642
0.528
0.880
0.476
0.351
0.533
0.373
0.653
0.713
0.565
0.446
0.439
0.611
0.876
0.352
0.465
0.500
0.537
0.619
0.430
0.583
0.410
0.412
0.471
0.378
0.517
0.390
0.501
0.633
B-59
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44
1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079
1.785
2.627
1.403
1.764
1.212
1.262
1.768
1.987
2.546
1.440
1.717
1.276
1.874
2.299
2.099
1.348
1.774
1.278
1.409
1.527
1.173
1.366
1.139
1.427
1.814
1.175
1.561
1.367
1.205
1.139
1.139
1.363
1.442
1.663
1.175
1.091
1.234
1.584
1.205
1.131
1.131
1.532
1.372
1.176
1.089
1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875
1.183
1.296
0.992
1.087
0.950
0.954
1.075
1.128
1.230
0.983
1.027
0.941
1.078
1.157
1.086
0.936
1.002
0.926
0.941
0.962
0.911
0.917
0.901
0.917
0.954
0.889
0.922
0.895
0.882
0.880
0.883
0.880
0.881
0.902
0.866
0.901
0.855
0.871
0.852
0.860
0.859
0.855
0.841
0.836
0.877
0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311
0.483
0.337
0.627
0.467
0.819
0.753
0.460
0.407
0.330
0.593
0.466
0.726
0.422
0.342
0.361
0.648
0.430
0.707
0.591
0.513
0.868
0.614
0.952
0.559
0.389
0.853
0.474
0.588
0.787
0.952
0.938
0.589
0.524
0.413
0.830
1.085
0.723
0.430
0.765
0.946
0.947
0.446
0.547
0.806
1.119
B-60
APPENDIX B

Table (B-51) K-values of ternary system MTBE (1) +Ethanol (2) +Octane (3) by
using SRK-EOS for two phases at 101.3KPa.
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
3.6282
2.3433
2.4390
1.9413
3.3502
2.5601
3.4495
1.9198
1.9247
2.1787
2.2799
2.4256
2.0830
3.1781
2.5575
2.1609
1.8632
2.2491
2.9744
1.8881
2.0876
2.3781
1.8888
1.8985
2.2159
1.8407
2.8861
1.8350
2.0756
1.9148
2.2921
2.0324
2.7232
2.3964
1.9262
2.0739
1.9528
2.1478
2.1573
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
0.8915
1.1413
1.0725
2.8054
0.8845
1.0118
0.8689
2.4317
2.1651
1.2299
1.1122
1.0030
1.2499
0.8282
0.9356
1.1533
1.4463
1.0621
0.8136
1.9973
1.2235
7.6946
1.7951
3.2120
6.4022
1.5991
0.7624
2.6760
4.9996
1.3381
0.8774
1.0733
0.7213
0.8036
1.1913
0.9760
1.0723
0.8859
6.0386
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.9730
0.5499
0.6033
0.2976
0.9526
0.6656
0.9343
0.3069
0.3172
0.4713
0.5280
0.6075
0.4487
0.8631
0.6751
0.4843
0.3943
0.5276
0.8404
0.3115
0.4304
0.2923
0.3251
0.2775
0.2788
0.3438
0.7847
0.2831
0.2741
0.3684
0.5825
0.4398
0.7200
0.6393
0.3950
0.4775
0.4264
0.5209
0.2630
B-61
APPENDIX B

T/K
345.66
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.7438
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.7770
2.4494
2.0498
1.7800
1.8088
2.1589
1.7811
2.3411
2.2621
2.2419
1.8784
1.7791
2.1516
1.7197
2.1567
2.0748
1.7847
1.8577
1.6685
2.0141
1.7861
2.0207
1.8082
1.6445
1.6829
1.9688
1.8055
1.8183
1.7117
1.8211
1.6298
1.6134
1.8386
1.8476
1.8150
1.7908
1.5632
1.6085
1.7628
1.6420
1.5166
1.6677
1.5083
1.5817
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
1.6203
0.7036
5.1242
1.4729
2.9702
0.7516
1.3180
7.3922
0.6902
0.6810
3.6681
1.1141
6.0109
2.1839
0.6547
0.6864
0.9944
3.7530
1.4682
4.9913
3.3445
0.6415
0.8223
1.2617
2.4392
0.6498
0.7886
0.7349
2.8524
0.7175
1.1119
2.0467
0.6638
0.6365
0.6403
0.6558
1.8971
0.8345
3.7125
0.7093
1.0551
0.6436
1.6489
0.2614
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.3079
0.6662
0.2555
0.3153
0.2599
0.5752
0.3277
0.2659
0.6156
0.6163
0.2324
0.3564
0.2550
0.2599
0.5966
0.5689
0.3775
0.2458
0.2938
0.2492
0.2417
0.5701
0.4248
0.3097
0.2471
0.5509
0.4378
0.4643
0.2366
0.4707
0.3224
0.2503
0.5114
0.5234
0.5326
0.5087
0.2445
0.3698
0.2337
0.4330
0.3096
0.4830
0.2495
B-62
APPENDIX B

T/K
337.97
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.4996
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5282
1.5964
1.6262
1.5948
1.6139
1.6414
1.4782
1.4993
1.4778
1.6541
1.5780
1.4435
1.5440
1.4415
1.4434
1.4669
1.4301
1.4180
1.3802
1.4914
1.3857
1.3754
1.3520
1.3435
1.3505
1.3977
1.3415
1.3250
1.3159
1.3111
1.2981
1.3976
1.2880
1.2524
1.3193
1.2352
1.2426
1.2717
1.2505
1.1826
0.9078
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.9299
0.7386
2.7289
0.7356
0.6709
0.6258
1.3685
0.9108
1.0661
3.1020
0.6580
1.4157
2.3000
1.2099
0.9307
0.7919
1.6384
1.0305
1.2150
2.3272
0.9273
1.4073
0.9599
1.0390
0.8095
1.9091
1.3442
1.2132
1.1260
0.9845
0.8894
2.0647
1.1601
0.8625
1.7629
1.0016
0.7163
1.6375
1.4824
1.2598
0.2427
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.3343
0.4049
0.2271
0.4057
0.4599
0.5001
0.2637
0.3294
0.2971
0.2284
0.4653
0.2584
0.2235
0.2729
0.3186
0.3666
0.2433
0.2867
0.2747
0.2250
0.3130
0.2499
0.3077
0.2908
0.3500
0.2304
0.2518
0.2625
0.2319
0.2952
0.3258
0.2280
0.2678
0.3449
0.2325
0.2976
0.4319
0.2430
0.2459
0.2743
B-63
APPENDIX B
using PR-EOS for two phases at 101.3KPa.
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
2.4036
3.5977
2.3236
2.4185
1.9249
3.3220
2.5386
3.4206
1.9037
1.9085
2.1604
2.2607
2.4052
2.0654
3.1514
2.5360
2.1427
1.8476
2.2302
2.9494
1.8722
2.0700
2.3582
1.8729
1.8825
2.1973
1.8252
2.8619
1.8195
2.0581
1.8987
2.2728
2.0153
2.7003
2.3762
1.9100
2.0565
1.9364
2.1298
2.1392
1.7621
2.4288
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.6868
0.8784
1.1245
1.0567
2.7641
0.8715
0.9969
0.8561
2.3959
2.1333
1.2118
1.0958
0.9882
1.2315
0.8160
0.9219
1.1363
1.4251
1.0465
0.8017
1.9680
1.2055
7.5814
1.7687
3.1648
6.3080
1.5756
0.7512
2.6366
4.9261
1.3185
0.8645
1.0576
0.7107
0.7918
1.1738
0.9617
1.0566
0.8729
5.9498
1.5965
0.6932
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
0.6972
1.1504
0.5574
0.6171
0.2918
1.1115
0.6892
1.0788
0.3012
0.3117
0.4729
0.5350
0.6255
0.4493
1.0055
0.7068
0.4880
0.3917
0.5362
0.9680
0.3064
0.4307
0.2875
0.3205
0.2722
0.2739
0.3399
0.9315
0.2779
0.2692
0.3662
0.6068
0.4432
0.8332
0.6836
0.3948
0.4858
0.4293
0.5373
0.2588
0.3039
0.7526
B-64
APPENDIX B

T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
1.5666
2.0326
1.7651
1.7936
2.1407
1.7662
2.3215
2.2431
2.2231
1.8626
1.7642
2.1335
1.7052
2.1385
2.0573
1.7697
1.8421
1.6545
1.9971
1.7711
2.0037
1.7930
1.6306
1.6687
1.9523
1.7904
1.8030
1.6973
1.8057
1.6161
1.5999
1.8231
1.8320
1.7997
1.7758
1.5500
1.5949
1.7480
1.6282
1.5039
1.6537
1.4957
1.5153
1.5830
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.7210
5.0488
1.4513
2.9265
0.7406
1.2986
7.2835
0.6801
0.6710
3.6141
1.0977
5.9225
2.1518
0.6451
0.6763
0.9798
3.6978
1.4466
4.9179
3.2953
0.6320
0.8102
1.2432
2.4034
0.6402
0.7770
0.7241
2.8104
0.7070
1.0955
2.0166
0.6541
0.6272
0.6309
0.6461
1.8692
0.8222
3.6579
0.6989
1.0396
0.6342
1.6246
0.9163
0.7277
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.2820
0.2512
0.3118
0.2552
0.6154
0.3251
0.2626
0.6840
0.6909
0.2279
0.3562
0.2516
0.2555
0.6719
0.6223
0.3799
0.2418
0.2905
0.2459
0.2378
0.6397
0.4358
0.3076
0.2431
0.6097
0.4521
0.4864
0.2328
0.4957
0.3217
0.2465
0.5545
0.5771
0.5901
0.5536
0.2410
0.3766
0.2312
0.4542
0.3095
0.5235
0.2464
0.3369
0.4201
B-65
APPENDIX B

T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.6125
1.5814
1.6003
1.6276
1.4658
1.4867
1.4654
1.6402
1.5647
1.4313
1.5310
1.4294
1.4313
1.4546
1.4180
1.4061
1.3686
1.4788
1.3740
1.3639
1.3406
1.3322
1.3392
1.3860
1.3302
1.3139
1.3048
1.3001
1.2871
1.3858
1.2772
1.2419
1.3082
1.2248
1.2322
1.2610
1.2400
1.1726
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
2.6887
0.7247
0.6610
0.6166
1.3484
0.8974
1.0505
3.0564
0.6483
1.3949
2.2662
1.1921
0.9171
0.7803
1.6144
1.0154
1.1971
2.2930
0.9137
1.3866
0.9458
1.0237
0.7976
1.8810
1.3245
1.1954
1.1094
0.9700
0.8764
2.0344
1.1430
0.8498
1.7370
0.9869
0.7058
1.6134
1.4606
1.2412
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.2241
0.4211
0.4916
0.5522
0.2613
0.3323
0.2968
0.2259
0.5013
0.2559
0.2206
0.2713
0.3210
0.3760
0.2408
0.2868
0.2735
0.2227
0.3158
0.2481
0.3101
0.2916
0.3589
0.2285
0.2505
0.2618
0.2301
0.2973
0.3314
0.2266
0.2680
0.3538
0.2316
0.3010
0.4620
0.2431
0.2461
0.2770
B-66
APPENDIX B
using SRK-EOS for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
2.4036
3.5238
2.2759
2.3688
1.8854
3.2538
2.4865
3.3503
1.8646
1.8693
2.1160
2.2143
2.3558
2.0230
3.0867
2.4839
2.0987
1.8096
2.1844
2.8888
1.8338
2.0275
2.3097
1.8344
1.8438
2.1522
1.7877
2.8031
1.7822
2.0159
1.8597
2.2262
1.9739
2.6449
2.3274
1.8707
2.0142
1.8966
2.0860
2.0952
1.7259
2.3789
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.6868
0.8685
1.1118
1.0448
2.7329
0.8616
0.9857
0.8464
2.3689
2.1092
1.1981
1.0835
0.9771
1.2176
0.8068
0.9115
1.1235
1.4090
1.0347
0.7926
1.9458
1.1919
7.4960
1.7488
3.1291
6.2369
1.5578
0.7427
2.6069
4.8705
1.3036
0.8548
1.0456
0.7026
0.7829
1.1606
0.9508
1.0447
0.8630
5.8828
1.5785
0.6854
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
0.6972
1.3442
0.5733
0.6388
0.2936
1.2840
0.7196
1.2341
0.3034
0.3144
0.4838
0.5512
0.6520
0.4593
1.1717
0.7465
0.5013
0.3983
0.5546
1.1179
0.3097
0.4410
0.2887
0.3245
0.2741
0.2752
0.3451
1.1255
0.2803
0.2708
0.3738
0.6436
0.4578
0.9862
0.7435
0.4053
0.5062
0.4437
0.5671
0.2607
0.3092
0.8747
B-67
APPENDIX B

T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
1.5666
1.9908
1.7288
1.7567
2.0968
1.7299
2.2738
2.1970
2.1774
1.8243
1.7279
2.0897
1.6702
2.0946
2.0151
1.7333
1.8043
1.6205
1.9561
1.7347
1.9625
1.7562
1.5971
1.6344
1.9121
1.7536
1.7660
1.6625
1.7686
1.5829
1.5670
1.7856
1.7944
1.7627
1.7393
1.5182
1.5622
1.7121
1.5948
1.4730
1.6198
1.4649
1.4842
1.5505
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.7210
4.9919
1.4349
2.8936
0.7322
1.2839
7.2014
0.6724
0.6634
3.5734
1.0853
5.8558
2.1275
0.6378
0.6687
0.9687
3.6562
1.4303
4.8625
3.2582
0.6249
0.8010
1.2292
2.3763
0.6330
0.7683
0.7159
2.7788
0.6990
1.0832
1.9939
0.6467
0.6201
0.6238
0.6389
1.8482
0.8130
3.6167
0.6910
1.0279
0.6270
1.6063
0.9059
0.7195
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.2820
0.2534
0.3182
0.2581
0.6775
0.3331
0.2649
0.7867
0.8052
0.2306
0.3681
0.2542
0.2596
0.7934
0.7091
0.3959
0.2448
0.2974
0.2488
0.2412
0.7594
0.4650
0.3168
0.2472
0.7128
0.4865
0.5330
0.2366
0.5473
0.3339
0.2516
0.6362
0.6785
0.6995
0.6412
0.2469
0.4029
0.2355
0.5059
0.3242
0.6099
0.2537
0.3568
0.4624
B-68
APPENDIX B

T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5794
1.5489
1.5674
1.5942
1.4357
1.4561
1.4353
1.6065
1.5326
1.4019
1.4995
1.4000
1.4018
1.4247
1.3889
1.3772
1.3405
1.4484
1.3458
1.3359
1.3131
1.3048
1.3116
1.3575
1.3029
1.2869
1.2780
1.2734
1.2607
1.3573
1.2510
1.2164
1.2813
1.1997
1.2068
1.2351
1.2145
1.1485
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
2.6584
0.7166
0.6536
0.6097
1.3332
0.8873
1.0386
3.0220
0.6410
1.3792
2.2406
1.1786
0.9067
0.7715
1.5962
1.0039
1.1836
2.2671
0.9034
1.3710
0.9351
1.0122
0.7886
1.8598
1.3095
1.1819
1.0969
0.9591
0.8665
2.0115
1.1301
0.8402
1.7174
0.9757
0.6978
1.5953
1.4442
1.2272
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.2291
0.4638
0.5637
0.6646
0.2709
0.3536
0.3115
0.2311
0.5843
0.2656
0.2266
0.2835
0.3423
0.4112
0.2495
0.3035
0.2872
0.2297
0.3391
0.2595
0.3330
0.3111
0.3972
0.2377
0.2634
0.2772
0.2464
0.3206
0.3638
0.2359
0.2862
0.3959
0.2438
0.3300
0.5596
0.2584
0.2631
0.3040
B-69
APPENDIX B
Table (B-54) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by using

SRK-EOS for vapor phase and UNIQUAC model for liquid phase at 101.3KPa.
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
3.5567
2.2971
2.3909
1.9030
3.2841
2.5097
3.3816
1.8820
1.8867
2.1358
2.2350
2.3778
2.0419
3.1155
2.5071
2.1183
1.8265
2.2048
2.9158
1.8509
2.0464
2.3313
1.8515
1.8611
2.1723
1.8044
2.8293
1.7988
2.0347
1.8771
2.2469
1.9923
2.6695
2.3491
1.8882
2.0330
1.9143
2.1055
2.1148
1.7420
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.8730
1.1176
1.0502
2.7470
0.8661
0.9908
0.8508
2.3811
2.1201
1.2043
1.0890
0.9821
1.2239
0.8110
0.9162
1.1293
1.4163
1.0400
0.7967
1.9558
1.1981
7.5346
1.7578
3.1452
6.2690
1.5658
0.7466
2.6203
4.8956
1.3103
0.8592
1.0510
0.7063
0.7869
1.1666
0.9557
1.0500
0.8675
5.9131
1.5866
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
1.2493
0.5661
0.6289
0.2928
1.2001
0.7056
1.1591
0.3024
0.3132
0.4789
0.5439
0.6399
0.4549
1.0910
0.7283
0.4953
0.3954
0.5464
1.0456
0.3083
0.4365
0.2883
0.3228
0.2733
0.2747
0.3429
1.0301
0.2793
0.2702
0.3705
0.6270
0.4514
0.9122
0.7160
0.4008
0.4972
0.4374
0.5538
0.2600
0.3070
B-70
APPENDIX B

T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
2.4011
2.0094
1.7449
1.7731
2.1163
1.7460
2.2950
2.2175
2.1977
1.8413
1.7441
2.1092
1.6858
2.1142
2.0339
1.7495
1.8211
1.6357
1.9744
1.7509
1.9808
1.7725
1.6121
1.6497
1.9300
1.7700
1.7825
1.6780
1.7852
1.5977
1.5816
1.8023
1.8112
1.7792
1.7555
1.5324
1.5767
1.7280
1.6097
1.4867
1.6349
1.4786
1.4981
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.6889
5.0176
1.4423
2.9085
0.7360
1.2906
7.2385
0.6759
0.6668
3.5918
1.0909
5.8859
2.1385
0.6411
0.6722
0.9737
3.6750
1.4377
4.8875
3.2749
0.6281
0.8052
1.2355
2.3885
0.6363
0.7722
0.7196
2.7931
0.7026
1.0887
2.0042
0.6500
0.6233
0.6270
0.6421
1.8577
0.8172
3.6353
0.6946
1.0332
0.6303
1.6146
0.9106
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.8166
0.2526
0.3156
0.2570
0.6490
0.3298
0.2641
0.7384
0.7510
0.2296
0.3631
0.2533
0.2580
0.7356
0.6687
0.3891
0.2437
0.2946
0.2478
0.2399
0.7025
0.4523
0.3130
0.2457
0.6644
0.4713
0.5122
0.2352
0.5241
0.3288
0.2497
0.5984
0.6309
0.6478
0.6005
0.2447
0.3916
0.2340
0.4828
0.3182
0.5698
0.2509
0.3484
B-71
APPENDIX B

T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5650
1.5942
1.5634
1.5820
1.6090
1.4491
1.4697
1.4487
1.6215
1.5469
1.4150
1.5135
1.4131
1.4149
1.4380
1.4019
1.3900
1.3530
1.4620
1.3583
1.3483
1.3253
1.3170
1.3239
1.3702
1.3151
1.2989
1.2899
1.2853
1.2725
1.3700
1.2626
1.2277
1.2933
1.2109
1.2181
1.2466
1.2258
1.1593
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.7232
2.6721
0.7203
0.6569
0.6128
1.3401
0.8919
1.0440
3.0375
0.6443
1.3863
2.2522
1.1847
0.9114
0.7754
1.6044
1.0091
1.1897
2.2788
0.9080
1.3781
0.9399
1.0174
0.7927
1.8694
1.3163
1.1880
1.1026
0.9640
0.8709
2.0218
1.1360
0.8446
1.7262
0.9808
0.7014
1.6035
1.4516
1.2336
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.4438
0.2273
0.4449
0.5307
0.6113
0.2671
0.3446
0.3055
0.2292
0.5459
0.2618
0.2244
0.2786
0.3334
0.3959
0.2462
0.2967
0.2817
0.2271
0.3293
0.2550
0.3234
0.3031
0.3805
0.2342
0.2583
0.2710
0.2400
0.3109
0.3499
0.2324
0.2788
0.3775
0.2392
0.3178
0.5136
0.2524
0.2563
0.2928
B-72
APPENDIX B

SRK-EOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
3.5530
2.2948
2.3884
1.9010
3.2807
2.5071
3.3781
1.8800
1.8848
2.1336
2.2327
2.3753
2.0398
3.1123
2.5045
2.1161
1.8246
2.2025
2.9127
1.8490
2.0443
2.3289
1.8496
1.8591
2.1700
1.8025
2.8263
1.7969
2.0326
1.8751
2.2446
1.9902
2.6668
2.3467
1.8862
2.0309
1.9123
2.1033
2.1126
1.7402
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.8775
1.1234
1.0556
2.7612
0.8706
0.9959
0.8552
2.3934
2.1311
1.2105
1.0947
0.9872
1.2302
0.8152
0.9209
1.1351
1.4236
1.0454
0.8008
1.9659
1.2043
7.5736
1.7669
3.1615
6.3015
1.5739
0.7504
2.6339
4.9210
1.3171
0.8636
1.0565
0.7099
0.7910
1.1726
0.9607
1.0555
0.8720
5.9437
1.5948
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
1.1730
0.5598
0.6204
0.2923
1.1331
0.6938
1.0992
0.3018
0.3124
0.4749
0.5380
0.6302
0.4514
1.0306
0.7139
0.4907
0.3932
0.5400
0.9927
0.3074
0.4332
0.2882
0.3217
0.2730
0.2746
0.3415
0.9664
0.2789
0.2700
0.3685
0.6157
0.4473
0.8652
0.6977
0.3980
0.4915
0.4336
0.5454
0.2600
0.3060
B-73
APPENDIX B

T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
2.3986
2.0073
1.7431
1.7713
2.1141
1.7442
2.2926
2.2152
2.1954
1.8394
1.7423
2.1070
1.6841
2.1120
2.0318
1.7477
1.8192
1.6340
1.9723
1.7491
1.9788
1.7707
1.6104
1.6480
1.9280
1.7681
1.7806
1.6762
1.7833
1.5960
1.5800
1.8005
1.8093
1.7773
1.7537
1.5308
1.5751
1.7263
1.6080
1.4852
1.6332
1.4771
1.4965
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.6925
5.0436
1.4498
2.9235
0.7398
1.2972
7.2760
0.6794
0.6703
3.6104
1.0965
5.9164
2.1496
0.6444
0.6756
0.9787
3.6940
1.4451
4.9128
3.2919
0.6314
0.8093
1.2419
2.4009
0.6396
0.7762
0.7233
2.8075
0.7062
1.0944
2.0146
0.6534
0.6265
0.6302
0.6455
1.8673
0.8214
3.6541
0.6982
1.0385
0.6335
1.6229
0.9153
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.7820
0.2525
0.3143
0.2567
0.6328
0.3282
0.2641
0.7115
0.7216
0.2295
0.3607
0.2533
0.2576
0.7063
0.6481
0.3859
0.2436
0.2937
0.2478
0.2398
0.6760
0.4465
0.3117
0.2454
0.6422
0.4647
0.5031
0.2351
0.5141
0.3271
0.2493
0.5825
0.6113
0.6269
0.5842
0.2443
0.3878
0.2340
0.4747
0.3166
0.5560
0.2505
0.3461
B-74
APPENDIX B

T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5633
1.5925
1.5617
1.5804
1.6074
1.4476
1.4682
1.4472
1.6198
1.5453
1.4136
1.5120
1.4116
1.4135
1.4365
1.4004
1.3886
1.3516
1.4605
1.3569
1.3469
1.3240
1.3156
1.3225
1.3688
1.3137
1.2976
1.2886
1.2840
1.2712
1.3686
1.2613
1.2265
1.2920
1.2096
1.2169
1.2454
1.2246
1.1581
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.7270
2.6859
0.7240
0.6603
0.6160
1.3470
0.8965
1.0494
3.0532
0.6477
1.3935
2.2638
1.1908
0.9161
0.7795
1.6127
1.0143
1.1959
2.2906
0.9127
1.3852
0.9448
1.0226
0.7968
1.8791
1.3231
1.1942
1.1083
0.9690
0.8754
2.0323
1.1418
0.8489
1.7352
0.9858
0.7051
1.6118
1.4591
1.2400
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.4377
0.2272
0.4388
0.5198
0.5938
0.2665
0.3423
0.3041
0.2292
0.5340
0.2612
0.2243
0.2778
0.3314
0.3920
0.2459
0.2955
0.2809
0.2271
0.3276
0.2547
0.3219
0.3020
0.3776
0.2342
0.2580
0.2705
0.2393
0.3097
0.3481
0.2325
0.2783
0.3755
0.2393
0.3170
0.5083
0.2526
0.2565
0.2931
B-75
APPENDIX B

PR-EOS for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
3.5641
2.3019
2.3959
1.9069
3.2909
2.5149
3.3885
1.8859
1.8906
2.1402
2.2396
2.3827
2.0461
3.1219
2.5123
2.1227
1.8303
2.2093
2.9218
1.8547
2.0506
2.3361
1.8554
1.8649
2.1768
1.8081
2.8351
1.8025
2.0389
1.8809
2.2516
1.9964
2.6751
2.3540
1.8921
2.0372
1.9183
2.1098
2.1191
1.7456
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.8774
1.1232
1.0555
2.7610
0.8705
0.9958
0.8551
2.3932
2.1309
1.2104
1.0946
0.9871
1.2301
0.8151
0.9208
1.1350
1.4235
1.0453
0.8008
1.9657
1.2041
7.5729
1.7667
3.1612
6.3009
1.5738
0.7504
2.6336
4.9205
1.3170
0.8636
1.0564
0.7099
0.7909
1.1725
0.9606
1.0554
0.8719
5.9431
1.5947
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
1.2012
0.5426
0.6030
0.2806
1.1520
0.6768
1.1112
0.2894
0.2994
0.4575
0.5193
0.6106
0.4337
1.0308
0.6943
0.4718
0.3770
0.5197
0.9862
0.2933
0.4144
0.2782
0.3068
0.2608
0.2640
0.3254
0.9505
0.2659
0.2589
0.3500
0.5887
0.4247
0.8324
0.6673
0.3773
0.4663
0.4104
0.5167
0.2482
0.2886
B-76
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
2.4061
2.0135
1.7485
1.7768
2.1207
1.7496
2.2997
2.2221
2.2023
1.8451
1.7477
2.1136
1.6893
2.1185
2.0381
1.7531
1.8249
1.6390
1.9785
1.7545
1.9849
1.7762
1.6154
1.6531
1.9340
1.7736
1.7862
1.6814
1.7888
1.6010
1.5849
1.8060
1.8149
1.7829
1.7591
1.5355
1.5800
1.7316
1.6130
1.4898
1.6383
1.4817
1.5012
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.6924
5.0431
1.4496
2.9232
0.7397
1.2971
7.2753
0.6793
0.6702
3.6101
1.0964
5.9158
2.1494
0.6444
0.6756
0.9787
3.6937
1.4450
4.9124
3.2916
0.6313
0.8093
1.2418
2.4007
0.6395
0.7761
0.7233
2.8073
0.7062
1.0943
2.0144
0.6533
0.6265
0.6302
0.6454
1.8671
0.8213
3.6538
0.6981
1.0384
0.6335
1.6228
0.9152
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.7402
0.2402
0.2956
0.2428
0.5926
0.3076
0.2521
0.6634
0.6702
0.2153
0.3363
0.2405
0.2412
0.6482
0.5961
0.3578
0.2294
0.2733
0.2341
0.2247
0.6118
0.4089
0.2884
0.2287
0.5796
0.4239
0.4559
0.2186
0.4642
0.3002
0.2307
0.5213
0.5428
0.5571
0.5193
0.2240
0.3473
0.2172
0.4189
0.2853
0.4861
0.2277
0.3099
B-77
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5682
1.5975
1.5666
1.5853
1.6124
1.4521
1.4728
1.4517
1.6249
1.5501
1.4179
1.5167
1.4160
1.4179
1.4410
1.4048
1.3929
1.3558
1.4650
1.3612
1.3511
1.3281
1.3197
1.3266
1.3730
1.3178
1.3016
1.2926
1.2880
1.2751
1.3728
1.2652
1.2303
1.2960
1.2134
1.2206
1.2492
1.2284
1.1617
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.7269
2.6857
0.7239
0.6603
0.6159
1.3469
0.8964
1.0493
3.0530
0.6476
1.3933
2.2636
1.1907
0.9160
0.7794
1.6125
1.0142
1.1958
2.2904
0.9126
1.3851
0.9447
1.0225
0.7967
1.8789
1.3230
1.1940
1.1082
0.9689
0.8754
2.0321
1.1417
0.8488
1.7350
0.9857
0.7050
1.6116
1.4590
1.2398
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.3856
0.2085
0.3865
0.4540
0.5141
0.2404
0.3038
0.2719
0.2107
0.4622
0.2347
0.2033
0.2479
0.2920
0.3418
0.2205
0.2595
0.2490
0.2045
0.2850
0.2250
0.2795
0.2626
0.3219
0.2077
0.2256
0.2350
0.1971
0.2655
0.2961
0.2057
0.2388
0.3157
0.2075
0.2657
0.4206
0.2166
0.2176
0.2426
B-78
APPENDIX B

PR-EOS for vapor phase and UNIQUAC model for liquid phase at 101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
3.5973
2.3234
2.4182
1.9247
3.3216
2.5383
3.4201
1.9035
1.9083
2.1601
2.2605
2.4049
2.0652
3.1511
2.5357
2.1425
1.8473
2.2299
2.9490
1.8720
2.0698
2.3579
1.8727
1.8823
2.1971
1.8250
2.8615
1.8193
2.0579
1.8985
2.2726
2.0150
2.7000
2.3760
1.9097
2.0562
1.9362
2.1295
2.1389
1.7619
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.8819
1.1290
1.0609
2.7752
0.8750
1.0009
0.8595
2.4055
2.1418
1.2167
1.1002
0.9922
1.2364
0.8193
0.9256
1.1409
1.4308
1.0507
0.8049
1.9759
1.2103
7.6118
1.7758
3.1775
6.3333
1.5819
0.7542
2.6472
4.9458
1.3237
0.8680
1.0618
0.7135
0.7950
1.1785
0.9655
1.0608
0.8764
5.9737
1.6029
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
1.1153
0.5358
0.5936
0.2799
1.0758
0.6637
1.0429
0.2885
0.2984
0.4529
0.5124
0.5993
0.4294
0.9589
0.6773
0.4662
0.3743
0.5120
0.9217
0.2920
0.4101
0.2778
0.3052
0.2601
0.2636
0.3233
0.8686
0.2649
0.2583
0.3469
0.5734
0.4188
0.7691
0.6424
0.3730
0.4579
0.4046
0.5045
0.2476
0.2865
B-79
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
2.4285
2.0323
1.7648
1.7933
2.1405
1.7659
2.3212
2.2428
2.2228
1.8624
1.7640
2.1333
1.7050
2.1383
2.0571
1.7694
1.8419
1.6543
1.9969
1.7709
2.0034
1.7928
1.6305
1.6685
1.9520
1.7902
1.8028
1.6971
1.8055
1.6159
1.5997
1.8229
1.8318
1.7995
1.7756
1.5498
1.5947
1.7478
1.6280
1.5037
1.6535
1.4955
1.5152
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.6960
5.0691
1.4571
2.9383
0.7435
1.3038
7.3127
0.6828
0.6737
3.6286
1.1021
5.9463
2.1604
0.6477
0.6791
0.9837
3.7127
1.4524
4.9377
3.3085
0.6346
0.8134
1.2482
2.4130
0.6428
0.7801
0.7270
2.8217
0.7098
1.0999
2.0247
0.6567
0.6297
0.6334
0.6487
1.8767
0.8255
3.6726
0.7017
1.0438
0.6367
1.6311
0.9199
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.6905
0.2394
0.2931
0.2418
0.5675
0.3045
0.2514
0.6222
0.6246
0.2144
0.3317
0.2397
0.2398
0.6003
0.5618
0.3516
0.2284
0.2707
0.2332
0.2236
0.5653
0.3976
0.2849
0.2272
0.5397
0.4106
0.4380
0.2173
0.4445
0.2957
0.2290
0.4900
0.5042
0.5154
0.4860
0.2219
0.3375
0.2158
0.3996
0.2800
0.4538
0.2251
0.3027
B-80
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5828
1.6124
1.5812
1.6001
1.6274
1.4656
1.4865
1.4652
1.6400
1.5645
1.4312
1.5308
1.4292
1.4311
1.4544
1.4179
1.4059
1.3685
1.4787
1.3738
1.3637
1.3405
1.3320
1.3390
1.3858
1.3301
1.3137
1.3047
1.3000
1.2870
1.3856
1.2770
1.2418
1.3081
1.2247
1.2320
1.2609
1.2398
1.1725
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.7306
2.6995
0.7276
0.6637
0.6191
1.3538
0.9010
1.0547
3.0687
0.6509
1.4005
2.2752
1.1969
0.9207
0.7834
1.6208
1.0194
1.2019
2.3022
0.9173
1.3922
0.9496
1.0278
0.8008
1.8886
1.3298
1.2002
1.1139
0.9739
0.8799
2.0425
1.1476
0.8532
1.7439
0.9908
0.7086
1.6199
1.4665
1.2462
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.3699
0.2068
0.3706
0.4271
0.4724
0.2371
0.2961
0.2667
0.2090
0.4315
0.2313
0.2013
0.2437
0.2844
0.3291
0.2175
0.2536
0.2443
0.2022
0.2768
0.2211
0.2714
0.2558
0.3083
0.2047
0.2212
0.2298
0.1919
0.2575
0.2847
0.2027
0.2326
0.3009
0.2035
0.2558
0.3857
0.2116
0.2120
0.2336
B-81
APPENDIX B

PR-EOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
3.5825
2.3138
2.4082
1.9168
3.3079
2.5279
3.4060
1.8956
1.9004
2.1512
2.2511
2.3950
2.0567
3.1380
2.5252
2.1336
1.8397
2.2207
2.9369
1.8643
2.0612
2.3481
1.8649
1.8745
2.1880
1.8174
2.8497
1.8118
2.0494
1.8906
2.2632
2.0067
2.6889
2.3661
1.9019
2.0478
1.9282
2.1207
2.1301
1.7546
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.8774
1.1232
1.0555
2.7610
0.8705
0.9958
0.8551
2.3932
2.1309
1.2104
1.0946
0.9871
1.2301
0.8151
0.9208
1.1350
1.4235
1.0453
0.8008
1.9657
1.2041
7.5729
1.7667
3.1612
6.3009
1.5738
0.7504
2.6336
4.9205
1.3170
0.8636
1.0564
0.7099
0.7909
1.1725
0.9606
1.0554
0.8719
5.9431
1.5947
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
1.1976
0.5422
0.6025
0.2805
1.1482
0.6760
1.1075
0.2893
0.2993
0.4571
0.5187
0.6097
0.4332
1.0251
0.6928
0.4712
0.3767
0.5189
0.9802
0.2931
0.4138
0.2780
0.3065
0.2607
0.2639
0.3250
0.9407
0.2656
0.2587
0.3494
0.5865
0.4237
0.8231
0.6635
0.3765
0.4648
0.4093
0.5145
0.2479
0.2881
B-82
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6374
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
2.4185
2.0239
1.7576
1.7859
2.1316
1.7587
2.3116
2.2335
2.2136
1.8547
1.7567
2.1245
1.6980
2.1295
2.0486
1.7621
1.8343
1.6475
1.9887
1.7636
1.9952
1.7854
1.6237
1.6616
1.9440
1.7828
1.7954
1.6901
1.7981
1.6093
1.5931
1.8154
1.8243
1.7921
1.7682
1.5434
1.5882
1.7405
1.6213
1.4975
1.6467
1.4893
1.5089
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.6924
5.0431
1.4496
2.9232
0.7397
1.2971
7.2753
0.6793
0.6702
3.6101
1.0964
5.9158
2.1494
0.6444
0.6756
0.9787
3.6937
1.4450
4.9124
3.2916
0.6313
0.8093
1.2418
2.4007
0.6395
0.7761
0.7233
2.8073
0.7062
1.0943
2.0144
0.6533
0.6265
0.6302
0.6454
1.8671
0.8213
3.6538
0.6981
1.0384
0.6335
1.6228
0.9152
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.7314
0.2398
0.2949
0.2424
0.5875
0.3068
0.2518
0.6550
0.6607
0.2150
0.3351
0.2401
0.2407
0.6372
0.5881
0.3561
0.2289
0.2724
0.2337
0.2242
0.6000
0.4058
0.2873
0.2281
0.5692
0.4202
0.4510
0.2181
0.4587
0.2988
0.2300
0.5125
0.5317
0.5449
0.5095
0.2231
0.3440
0.2165
0.4126
0.2834
0.4756
0.2266
0.3073
B-83
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5763
1.6057
1.5747
1.5935
1.6207
1.4595
1.4804
1.4592
1.6332
1.5581
1.4253
1.5245
1.4233
1.4252
1.4484
1.4120
1.4001
1.3628
1.4725
1.3682
1.3581
1.3349
1.3265
1.3335
1.3801
1.3246
1.3083
1.2993
1.2946
1.2817
1.3799
1.2718
1.2366
1.3027
1.2196
1.2269
1.2557
1.2347
1.1677
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.7269
2.6857
0.7239
0.6603
0.6159
1.3469
0.8964
1.0493
3.0530
0.6476
1.3933
2.2636
1.1907
0.9160
0.7794
1.6125
1.0142
1.1958
2.2904
0.9126
1.3851
0.9447
1.0225
0.7967
1.8789
1.3230
1.1940
1.1082
0.9689
0.8754
2.0321
1.1417
0.8488
1.7350
0.9857
0.7050
1.6116
1.4590
1.2398
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.3803
0.2077
0.3811
0.4450
0.5001
0.2390
0.3010
0.2699
0.2098
0.4516
0.2333
0.2024
0.2462
0.2890
0.3370
0.2191
0.2570
0.2470
0.2034
0.2816
0.2232
0.2760
0.2596
0.3162
0.2062
0.2236
0.2326
0.1948
0.2619
0.2911
0.2041
0.2359
0.3090
0.2054
0.2610
0.4046
0.2140
0.2147
0.2379
B-84
APPENDIX B
Table (B-59) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by

using PRSV-EOS with WS mixing rule based on GE from NRTL model at
101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
3.5532
2.2948
2.3885
1.9011
3.2809
2.5072
3.3782
1.8801
1.8848
2.1336
2.2327
2.3754
2.0399
3.1124
2.5046
2.1162
1.8247
2.2026
2.9129
1.8490
2.0444
2.3289
1.8497
1.8592
2.1701
1.8026
2.8264
1.7970
2.0326
1.8752
2.2447
1.9903
2.6669
2.3468
1.8863
2.0310
1.9124
2.1034
2.1127
1.7403
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
1.3751
0.5475
0.6116
0.2780
1.2983
0.6912
1.2365
0.2869
0.2969
0.4585
0.5231
0.6203
0.4338
1.1549
0.7123
0.4733
0.3755
0.5236
1.0900
0.2903
0.4137
0.2751
0.3038
0.2576
0.2608
0.3225
1.0810
0.2625
0.2555
0.3471
0.5983
0.4238
0.9130
0.6881
0.3748
0.4670
0.4087
0.5205
0.2442
0.2844
B-85
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
2.3987
2.0074
1.7432
1.7713
2.1142
1.7443
2.2927
2.2153
2.1955
1.8395
1.7423
2.1071
1.6841
2.1121
2.0319
1.7477
1.8193
1.6340
1.9724
1.7491
1.9789
1.7708
1.6104
1.6481
1.9281
1.7682
1.7807
1.6763
1.7834
1.5961
1.5801
1.8005
1.8093
1.7774
1.7538
1.5308
1.5752
1.7263
1.6081
1.4852
1.6332
1.4771
1.4966
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.7894
0.2360
0.2911
0.2384
0.6058
0.3029
0.2477
0.6938
0.7048
0.2105
0.3314
0.2357
0.2361
0.6798
0.6127
0.3528
0.2244
0.2677
0.2291
0.2194
0.6354
0.4043
0.2822
0.2230
0.5950
0.4197
0.4533
0.2128
0.4621
0.2933
0.2245
0.5255
0.5509
0.5680
0.5229
0.2169
0.3382
0.2105
0.4109
0.2763
0.4834
0.2198
0.3002
B-86
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5634
1.5926
1.5618
1.5805
1.6074
1.4476
1.4683
1.4473
1.6199
1.5453
1.4136
1.5120
1.4117
1.4135
1.4365
1.4005
1.3887
1.3517
1.4605
1.3570
1.3470
1.3240
1.3157
1.3226
1.3688
1.3137
1.2976
1.2887
1.2840
1.2712
1.3686
1.2614
1.2265
1.2920
1.2097
1.2169
1.2454
1.2246
1.1581
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.3756
0.2013
0.3765
0.4475
0.5151
0.2316
0.2930
0.2620
0.2033
0.4556
0.2256
0.1952
0.2380
0.2802
0.3291
0.2111
0.2475
0.2382
0.1956
0.2716
0.2140
0.2657
0.2493
0.3055
0.1972
0.2135
0.2220
0.1809
0.2503
0.2793
0.1948
0.2241
0.2967
0.1945
0.2472
0.4002
0.2018
0.2017
0.2223
B-87
APPENDIX B

PRSV-EOS with WS mixing rule based on GE from UNIQUAC model at
101.3KPa.
T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
3.5970
2.3231
2.4180
1.9245
3.3213
2.5381
3.4198
1.9033
1.9081
2.1599
2.2603
2.4047
2.0650
3.1508
2.5355
2.1423
1.8472
2.2297
2.9488
1.8718
2.0696
2.3576
1.8725
1.8821
2.1969
1.8248
2.8613
1.8192
2.0577
1.8983
2.2724
2.0148
2.6998
2.3757
1.9096
2.0561
1.9360
2.1293
2.1387
1.7617
0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.8677
1.1107
1.0437
2.7302
0.8608
0.9847
0.8456
2.3665
2.1071
1.1969
1.0824
0.9761
1.2164
0.8060
0.9106
1.1224
1.4076
1.0336
0.7918
1.9438
1.1907
7.4884
1.7470
3.1260
6.2307
1.5562
0.7420
2.6043
4.8657
1.3023
0.8539
1.0446
0.7019
0.7821
1.1594
0.9499
1.0436
0.8622
5.8769
1.5769
1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
1.3690
0.5588
0.6233
0.2844
1.2946
0.7031
1.2337
0.2935
0.3038
0.4683
0.5332
0.6305
0.4428
1.1455
0.7216
0.4826
0.3835
0.5328
1.0804
0.2966
0.4219
0.2787
0.3102
0.2625
0.2645
0.3291
1.0534
0.2674
0.2593
0.3534
0.6033
0.4302
0.8902
0.6887
0.3809
0.4727
0.4144
0.5246
0.2464
0.2890
B-88
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
2.4283
2.0321
1.7647
1.7932
2.1403
1.7658
2.3210
2.2426
2.2226
1.8622
1.7638
2.1331
1.7049
2.1381
2.0569
1.7693
1.8417
1.6542
1.9967
1.7707
2.0033
1.7926
1.6303
1.6684
1.9518
1.7900
1.8027
1.6970
1.8054
1.6158
1.5995
1.8227
1.8316
1.7993
1.7754
1.5497
1.5946
1.7476
1.6279
1.5035
1.6534
1.4954
1.5150
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.6847
4.9869
1.4335
2.8907
0.7315
1.2827
7.1942
0.6717
0.6628
3.5698
1.0842
5.8499
2.1254
0.6372
0.6681
0.9677
3.6525
1.4289
4.8576
3.2549
0.6243
0.8002
1.2279
2.3739
0.6324
0.7675
0.7152
2.7760
0.6983
1.0821
1.9919
0.6460
0.6195
0.6231
0.6382
1.8463
0.8122
3.6130
0.6903
1.0269
0.6264
1.6047
0.9050
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.7703
0.2381
0.2955
0.2415
0.6010
0.3070
0.2483
0.6765
0.6835
0.2127
0.3347
0.2362
0.2388
0.6522
0.5970
0.3549
0.2257
0.2703
0.2294
0.2205
0.6049
0.4026
0.2841
0.2245
0.5698
0.4162
0.4459
0.2136
0.4529
0.2941
0.2255
0.5057
0.5228
0.5368
0.4998
0.2171
0.3338
0.2088
0.3980
0.2746
0.4566
0.2192
0.2968
B-89
APPENDIX B

T/K
K1 lit.
K1cal.
K2 lit
K2cal.
K3 lit
K3cal.
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605
1.5827
1.6122
1.5810
1.5999
1.6272
1.4655
1.4864
1.4651
1.6399
1.5644
1.4310
1.5307
1.4291
1.4309
1.4543
1.4177
1.4058
1.3683
1.4785
1.3737
1.3636
1.3403
1.3319
1.3389
1.3857
1.3299
1.3136
1.3045
1.2998
1.2869
1.3855
1.2769
1.2416
1.3079
1.2246
1.2319
1.2608
1.2397
1.1724
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298
0.7188
2.6558
0.7158
0.6529
0.6091
1.3319
0.8864
1.0376
3.0189
0.6404
1.3778
2.2384
1.1775
0.9058
0.7707
1.5946
1.0029
1.1825
2.2649
0.9025
1.3696
0.9342
1.0111
0.7878
1.8580
1.3082
1.1807
1.0958
0.9581
0.8656
2.0094
1.1290
0.8394
1.7157
0.9748
0.6971
1.5937
1.4427
1.2260
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328
0.3652
0.2000
0.3658
0.4260
0.4769
0.2303
0.2886
0.2594
0.2010
0.4287
0.2238
0.1932
0.2353
0.2747
0.3189
0.2083
0.2427
0.2343
0.1920
0.2642
0.2097
0.2577
0.2425
0.2912
0.1922
0.2080
0.2155
0.1746
0.2408
0.2662
0.1887
0.2157
0.2781
0.1864
0.2331
0.3543
0.1912
0.1905
0.2051
B-90
Appendix C : CALCULATED RESYLTS
APPENDIX C
CALCULATED RESULTS
Table(C-1) m and n factors for SRK and PR equation of state
SRK EOS
m
n
compound
PR EOS
m
n
MTBE
0.6207
0.2285
0.6671
0.4112
Ethanol
0.7446
0.3125
1.1505
0.8077
2-methyl-2-propanol
0.6943
0.6958
0.7939
0.5723
Octane
0.5563
0.2476
0.7563
0.3114
Table(C-2) optimized interaction parameters for binary systems for

modify PR-EOS &SRK-EOS.
Ethanol+2-methyl-2propanol
MTBE+Ethanol
MTBE+Octane
Modify PR EOS
No. of data
point
Binary system
Modify
k 12
h 12
ka 12
ka 21
kb 12
kb 21
30
0.0237
0.2132
-0.1431
-0.1040
-0.0512
-0.1598
22
0.0175
0.1822
-0.2462
-0.1695
-0.0213
-0.0851
19
0.1102
0.4252
-0.3116
-0.2201
-0.2456
-0.0268
SRK EOS
C-1
Table(C-3) optimized interaction parameters for ternary systems for

modify PR-EOS &SRK-EOS .
Modify PR -EOS
SRK-EOS
Modify
Ternary systems
k 12
k 13
k 23
h 12
h 13
h 23
ka 12
ka 21
ka 13
ka 31
ka 23
ka 32
kb 12
kb 21
kb 13
kb 31
kb 23
kb 32
No. of data point
System (I)
System(II)
System(III)
MTBE+Ethanol+2-methyl-
Ethanol+2-methyl-2-
MTBE+Ethanol+Octane
2-propanol
propanol+Octane
0.0231
0.1115
0.0182
0.2243
0.6076
0.1857
-0.1398
-0.1128
-0.3181
-0.2304
-0.2397
-0.1864
-0.0565
-0.1705
-0.2195
-0.0289
-0.0228
-0.0912
88
0.0143
0.0153
0.0175
-0.2483
-0.1573
-0.1071
-0.3601
-0.2121
-0.2914
-0.1926
-0.1718
-0.2682
-0.0316
-0.2238
-0.5198
-0.1734
-0.2118
-0.0845
88
C-2
0.0229
0.1093
0.0177
0.2157
0.5974
0.1955
-0.1427
-0.1035
-0.3059
-0.2174
-0.2471
-0.1726
-0.0523
-0.1672
-0.2386
-0.0273
-0.0211
-0.0844
122
Table(C- 4): NRTL parameters (g ij (J mol-1)) and ( ij ) for the binary systems
at 101.3KPa.
g 11
g 22
g 12
12
Ethanol+2-methyl-2-propanol
1745.000
14.885
5465.000
0.290
MTBE+Ethanol
1188.000
961.639
5598.000
0.206
MTBE+Octane
1878.000
76.276
5401.000
0.261
BINARY SYSTEMS
Table(C-5): NRTL parameters (g ij (J mol-1)) and ( ij ) for the ternary systems

at 101.3KPa.
Ternary
g 11
g 22
g 33
g 12
g 13
g 23
12
13
23
1076.000
810.669
1878.000
5607.000
8824.000
9699.000
0.462
0.412
0.401
1077.000
1117.000
4676.000
5547.000
7220.000
5026.000
0.367
0.332
0.345
776.118
189.003
3075.000
5604.000
7895.000
6176.000
0.466
0.402
0.336
systems
MTBE+Ethanol+2methyl-2-propanol
Ethanol+2-methyl-2propanol+Octane
MTBE+ethanol+Octane
Table(C-6): UNIQUAC parameters (u ij (J.mol-1)) for the binary

systems at 101.3KPa.
Binary systems
u 11
u 22
u 12
u 21
R
MTBE+Ethanol
MTBE+Octane
579.172
2249.000
2691.000
3481.000
866.000
912.999
5477.000
2092.000
1085.000
1143.000
5971.000
2738.000
C-3
Table(C-7): UNIQUAC parameters (u ij (J.mol-1)) for the ternary

systems at 101.3KPa.
Ternary systems
MTBE+Ethanol+2-methyl-2-propanol
Ethanol+2-methyl-2-propanol+Octane
MTBE+Ethanol+Octane
u 11
u 22
u 33
u 12
u 13
u 23
897.569
1214.000
259.684
2842.000
1957.000
1480.000
1294.000
1741.000
4654.000
3571.000
1855.000
1423.000
1718.000
1765.000
938.861
2632.000
2746.000
2167.000
Table (C-8) The R i and Q i values for the UNIFAC groups and the r i
and q i for the UNIQUAC compounds
UNIFAC model
Group R i
0.9011
CH 3
0.6744
CH 2
0.2195
C
1.0000
OH
1.1450
CH 3 O
Qi
0.848
0.540
0.000
1.200
1.088
UNIQUAC model
component
MTBE
Ethanol
2-methyl-2-propanol
Octane
ri
4.0678
2.5755
3.9228
5.847
qi
3.632
2.588
3.744
4.936
Table(C-9) UNIFAC Group-Group interaction parameters, a mn in

Kelvin
Group
CH 3
CH 2
C
OH
CH 3 O
CH 3
CH 2
C
0.0
OH
CH 3 O
986.50
251.50
156.40
0.00
28.06
83.36
237.70
0.00
C-4
Table (C-10): adjustable parameters value when applying WS

mixing rule with UNIQUAC model on PRSV-EOS to binary systems
at101.3KPa
Binary Systems
No. of Temp.(K) k ij
C
data
R
30
351-356
0.375
-0.431
MTBE +ethanol
22
328-352
0.421
-0.501
MTBE +octane
19
328-399
0.256
-0.322

mixing rule with UNIQUAC model on PRSV-EOS to ternary
systems at101.3KPa
Ternary systems No. of Temp.(K) C
k 12
k 13
k 23
data
R
MTBE+ethanol+288
methyl-2-propanol
Ethanol+2-methyl-288
propanol+octane
MTBE+ethanol+octane 122
328-351
-0.411 0.455
0.467
0.301
350-360
-0.624 0.333
0.587
0.516
332-351
-0.650 0.394
0.369
0.521

mixing rule with NRTL model on PRSV-EOS to binary systems
at101.3KPa
Binary Systems
No. of Temp.(K) k ij
C
data
R
30
351-356
0.364
-0.401
MTBE +ethanol
22
328-352
0.401
-0.498
MTBE +octane
19
328-399
0.259
-0.276
C-5
Table (C-13) adjustable parameters value when applying WS mixing

rule with NRTL model on PRSV-EOS to ternary systems
at101.3KPa
Ternary systems No. of Temp.(K) C
k 12
k 13
k 23
data
R
MTBE+ethanol+288
methyl-2-propanol
Ethanol+2-methyl-288
propanol+octane
MTBE+ethanol+octane 122
328-351
-0.476 0.479
0.505
0.301
350-360
-0.562 0.301
0.622
0.570
332-351
-0.651 0.479
0.248
0.622
Table (C-14 )Antoine equation constants of the components

material
MTBE
Ethanol
2-methyl-2-propanol
Octane
A
6.120 19
7.242 22
6.352 72
6.043 94
B
1190.420
1595.811
1105.198
1351.938
C
-39.040
-46.702
-101.256
-64.030
Where:
log P s = A B
C +T
, Ps in KPa, T in K [6].
P
(C.1)
Table (C.15): Physical properties of pure components [6].

material
T c ,K
P c ,bar
V c ,cm3
/mol
MTBE
Ethanol
2-methyl-2-propanol
octane
500.60
513.92
506.21
568.70
32.50
61.48
39.73
24.90
339.00
167.00
275.00
492.00
C-6
0.328
0.649
0.613
0.399
C-7
Appendix D : Computer Program
Appendix D
COMPUTER PROGRAM
D.1 Finding the Roots of a Polynomial
This algorithm shows how to use MATHCAD polyroots function to find all
the roots of a polynomial.
The compressibility factor polynomial for Soave equation of state is given by
equation D.1:
Z3 (1-B) Z2 + (A-B2-B) Z AB = 0
P
(D-1)
A vector of the coefficients, beginning with the constant term
2
A B B
(1 B )
1
AB
r := polyroots(V) Returns all roots at once.
For example, if A = 0.044 and B = 0.004296, Then:

0.005525
r = 0.036
0.954
D-1
0 .2
0 .4
0
0 .2
0 .4
0 .6
0 .8
x, r
j
co mp ress ib ilit y f act o r p o ly n o m ial

R o ot s o f p o ly n o m ial
Figure D-1 The roots of Soave equation of state.
D.2 Optimization Technique for Parameters Estimation

MATLAB m-file for the Maximum Likelihood principle optimization
technique.
D-2
D-3
D-4
D-5
D.3 NRTL activity coefficient model program: This MathCAD

document contains NRTL equations for calculating activity coefficients.
mol
R
b 12
mole
1.987 .
cal
mol . K
631.05 .
cal
mole
cal
b 21 1197.41 .
mole
0.5343
b 12
12( T )
R. T
b 21
21( T )
R. T
G 12( T ) exp . 12( T )
G 21( T ) exp . 21( T )
Activity Coefficient Equations
D-6
1 x 1, x 2, T
2 x 1, x 2, T
2.
exp x 2
21( T ) .
2
exp x 1 . 12( T ) .
x1
x 2 . G 21( T )
x2
x 1 . G 12( T )
G 21( T ) . 21( T )
G 12( T )
x2
G 12( T ) . 12( T )
G 21( T )
x 1 . G 12( T )
x1
x 2 . G 21( T )
ln1 is the same as ln(1)

ln 1 x 1 , x 2 , T
ln 2 x 1 , x 2 , T
2.
x2
21( T ) .
2
x 1 . 12( T ) .
G 21( T )
x1
x 2 . G 21( T )
G 12( T )
x2
G 12( T ) . 12( T )
x2
G 21( T ) . 21( T )
x 1 . G 12( T )
Excess Gibb's Energy (GE/RT)

G 21( T ) . 21( T )
GERT x 1 , x 2 , T
x 1 . x 2 . R. T .
x 1 x 2 . G 21( T )
x 1 . G 12( T )
x1
x 2 . G 21( T )
G 12( T ) . 12( T )
x 2 x 1 . G 12( T )
D.4 BASIC program for UNIFAC model

1000 '***************************************************************
1020 '*
1040 '*
1060 '*
UNIFACR.BAS
VAPOR-LIQUID ACTIVITY COEFFICIENTS ESTIMATED BY THE

UNIFAC GROUP CONTRIBUTION METHOD
1080 '***************************************************************
1090 CLS: Key OFF: Screen 0, 1
1100 Print Tab(12); "***********************************************************"
1110 Print Tab(12); "* VAPOR-LIQUID ACTIVITY COEFFICIENTS ESTIMATED BY THE *"
1120 Print Tab(12); "*
UNIFAC GROUP CONTRIBUTION METHOD
*"
1130 Print Tab(12); "* DEPT. OF CHEMICAL ENGINEERING *"

1140 Print Tab(12); "*
UNIVERSITY OF TECNOLOGY , IRAQ*"
1200 Print Tab(12); "***********************************************************"
D-7
1210 Print: Print: Print "Loading data....."

1220 DefInt I-K, M-N
1230 Option Base 1
1235 IKYFLG = 0
1240 Dim IARM(100), ANM(100), ANMX(100), LGC(10), LNG(10, 10), LNGM(100), ILS(10), G(10)
1250 Dim A(44, 44), R(85), Q(85), N1(85), N2(85), IAR(10, 10), AN(10, 10), P(21), XX(21)
1260 Dim N2$(85), N1$(85), C$(10), X(10), R1(10), Q1(10), TH(10), PH(10), L(10), L2(10)
1270 Dim CTH(10, 10), CTHM(100), D2(20), LG(10), Y(100), GAM(2, 21), YY(2, 21), PVAP(2)
1280 Dim H$(17), AA(2), BB(2), CC(2), AMS1(100), AMS2(100), UMW(85)
1290 OPEN "I", #1, "UFNRQM.DTA"
1300 For I = 1 To 85
1310 Input #1, N1$(I), N1(I), N2$(I), N2(I), R(I), Q(I), UMW(I)
1320 Next I
1330 Close #1
1340 OPEN "I", #1, "UNFA44.DTA"
1350 For I = 1 To 44
1360 For JJ = 1 To 11
1370 J = 1 + 4 * (JJ - 1)
1380 Input #1, A(I, J), A(I, J + 1), A(I, J + 2), A(I, J + 3)
1390 Next JJ
1400 Next I
1410 Close #1
1420 Print "Press UP cursor key on your keyboard"
1426 UP$ = INKEY$
1427 If UP$ = "" Then GoTo 1426
1428 Print "Press DOWN cursor on your keyboard"
1429 DOWN$ = INKEY$
1430 If DOWN$ = "" Then GoTo 1429
1431 Print "Press LEFT cursor on your keyboard"
1432 LFT$ = INKEY$
1433 If LFT$ = "" Then GoTo 1432
1434 Print "Press RIGHT cursor on your keyboard"
1435 RGHT$ = INKEY$
1436 If RGHT$ = "" Then GoTo 1435
1440 GoTo 1710
D-8
1450 Print "Select next function key."

1460 Key 1, "Cmpnts"
1470 Key 2, " Conc "
1480 Key 3, " Temp "
1490 Key 9, ""
1500 Key 10, " EXIT "
1510 KEY(1) ON: KEY(2) ON: KEY(3) ON: KEY(10) ON
1520 If (ITEMP + ICONC) = 2 Then Key 4, "Coeffs"
1530 IF (ITEMP + ICONC) = 2 THEN KEY(4) ON
1540 If IMX > 2 Then GoTo 1590
1550 IF ITEMP = 1 THEN KEY 5, "Gm Lst": IF ITEMP = 1 THEN KEY(5) ON
1560 IF ILST = 1 THEN KEY 6, "xy Lst": IF ILST = 1 THEN KEY(6) ON
1570 IF ILST1 = 1 THEN KEY 7, "xy Gph": IF ILST1 = 1 THEN KEY(7) ON
1580 KEY 8, "AntCon": KEY(8) ON
1590 KEY ON
1600 If IMX > 2 Then GoTo 1610
1610 On Key(1) GoSub 1710
1650 On Key(10) GoSub 3830
1700 GoTo 1700
1710 'COMP>
1720 CLS: Key OFF: GoSub 4560: ILST = 0: ILST1 = 0: ICONC = 0: IRTRN = 0: IPVAP = 0
1730 ITEMP = 0: IAPFLG = 0
1740 For I = 1 To 10: For J = 1 To 10: IAR(I, J) = 0: AN(I, J) = 0
1750 Next J: Next I
1760 Print "ENTER COMPONENT INFORMATION (10 components, 10 groups each maximum)"
1770 I = 0
1780 I = I + 1: If I = 11 Then GoTo 1880
1790 Print: Print "Type name of COMP"; I; "(12 Characters Max.) and press ENTER key "
D-9
1795 Print "or press only the ENTER key to end entry of components."
1800 INPUT C$(I)
1810 If C$(I) = "" Then IMX = I - 1: If C$(I) = "" Then GoTo 1880
1820 GoSub 4070
1830 If ILS(I) < 11 Then GoTo 1780
1840 CLS: BEEP: BEEP
1850 Print "SORRY. PROGRAM DIMENSIONS ONLY ALLOW 10 DIFFERENT SUBGROUPS PER
MOLECULE."
1860 BEEP: Print "PRESS ANY KEY TO CONTINUE."
1870 If INKEY$ <> "" Then GoTo 1820 Else GoTo 1870
1880 CLS
1890 FOR I = 1 TO 4: KEY(I + 10) OFF: NEXT I
1900 CLS: Print: Print Tab(20); "UNIFAC ESTIMATION OF ACTIVITY COEFFICIENTS"
1910 Print Tab(20); "==========================================": Print
1920 Print Tab(34); "COMPONENT DATA"
1930 Print Tab(34); "--------------"
1940 Print Tab(48); "Molecular Subgroups"
1950 Print Tab(42); "--------------------------------"
1960 Print Tab(9); "Component No.
Name
1970 Print Tab(9); "------------- -----------1980 L1$ = "
##
1990 L2$ = "
------ ----------- ---------"
##
##
Number Description Frequency"
\
\
\
\
###"
###"
2000 For I = 1 To IMX: JMX = ILS(I)

2010 Print USING; L1$; I; C$(I); IAR(I, 1); N2$(IAR(I, 1)); AN(I, 1)
2020 If JMX = 1 Then GoTo 2060
2030 For J = 2 To JMX
2040 Print USING; L2$; IAR(I, J); N2$(IAR(I, J)); AN(I, J)
2050 Next J
2060 Print
2070 X(I) = 1 / IMX
2080 TK = 300 'JUST TO CALL UNIFAC SUBROUTINE WITHOUT DIVIDE BY ZERO
2090 Next I
2100 Print: Print "Press any key to continue."
2110 If INKEY$ = "" Then GoTo 2110
2120 Print: Print "Checking for availability of interaction parameters."
D-10
2130 Print "This may take several seconds if many groups are present."
2140 IRTRN = 2
2150 GoSub 3870
2160 GoTo 2630
2170 RETURN 1450
2180 'CONC>
2190 ICONC = 1
2200 For IQ = 1 To 10: NNSE$ = INKEY$: Next IQ
2210 CLS: Print "ENTER COMPONENT CONCENTRATIONS": Print
2220 GoSub 4560
2230 Print "Enter component concentrations in MOLE FRACTION beginning with Comp. 1"
2240 Print "^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^"
2250 SUMX = 0: For I = 1 To 10: X(I) = 0: Next I
2260 For I = 1 To IMX
2270 PRINT : PRINT "Mole Fraction of Component"; I; "- " + C$(I): INPUT X(I)
2280 If X(I) > 1 Then Print "!!! INPUT ERROR !!!": GoTo 2270
2290 If X(I) < 0 Then Print "!!! INPUT ERROR !!!": GoTo 2270
2295 If X(I) = 0 Then X(I) = 0.0000001
2300 SUMX = SUMX + X(I): Next I
2310 If SUMX < 0.999999 Then GoTo 2340
2320 If SUMX > 1.000001 Then GoTo 2340
2330 GoTo 2350
2340 Print "MOLE FRACTIONS DO NOT SUM TO 1, BEING NORMALIZED"
2350 For I = 1 To IMX: X(I) = X(I) / SUMX: Next I
2390 Print: Print: Print Tab(30); "COMPONENT CONCENTRATIONS": Print Tab(30); "------------------------"
2400 Print Tab(22); "No
Name
2410 Print Tab(22); "--
------------
2420 L1$ = "
##
Mole Fraction"
-------------"
\
#.#####"

2440 Print USING; L1$; I; C$(I); X(I)
2450 Next I
2460 GoSub 3870
2470 RETURN 1450
2480 'TEMP>
2490 GoSub 4560
D-11

2510 CLS: ITEMP = 1: Print "ENTER TEMPERATURE": Print
2520 ILST = 0: ILST1 = 0: IPVAP = 0
2530 PRINT "Enter temperature in Deg C."; : INPUT TC
2540 Print: Print "Temperature = "; TC; " deg C"
2550 TK = TC + 273.15
2560 RETURN 1450
2570 'COEFF>
2580 GoSub 4560
2600 ' UNIFAC CALCULATION
2610 ' COMBINATORIAL
2620 IRTRN = 0
2630 R2 = 0: Q2 = 0
2650 R1(I) = 0: Q1(I) = 0
2660 For J = 1 To ILS(I)
2670 R1(I) = R1(I) + R(IAR(I, J)) * AN(I, J)
2680 Q1(I) = Q1(I) + Q(IAR(I, J)) * AN(I, J)
2690 Next J
2700 R2 = R2 + X(I) * R1(I)
2710 Q2 = Q2 + X(I) * Q1(I)
2720 Next I
2730 L1 = 0
2750 PH(I) = R1(I) * X(I) / R2
2760 TH(I) = Q1(I) * X(I) / Q2
2770 L(I) = 5 * (R1(I) - Q1(I)) - (R1(I) - 1)
2780 L1 = L1 + X(I) * L(I)
2790 Next I
2810 LGC(I) = Log(PH(I) / X(I)) + 5 * Q1(I) * Log(TH(I) / PH(I)) + L(I) - (PH(I) / X(I)) * L1
2820 Next I
2830 ' RESIDUAL
D-12
2850 SUMQ = 0
2870 D2(J) = AN(I, J) * Q(IAR(I, J))
2880 SUMQ = SUMQ + D2(J)
2890 Next J
2910 CTH(I, J) = D2(J) / SUMQ
2920 Next J
2930 Next I
2940 SUMQ = 0
2950 For K = 1 To KMAX
2960 D2(K) = ANMX(K) * Q(IARM(K))
2970 SUMQ = SUMQ + D2(K)
2980 Next K
3000 CTHM(K) = D2(K) / SUMQ
3010 Next K
3020 'GAMMA RESIDUAL FOR EACH GROUP IN EACH MOLECULE
3030 IAFLG = 0
3050 For K = 1 To ILS(I)
3060 KK = N1(IAR(I, K))
3070 SUM1 = 0: SUM2 = 0
3080 For M = 1 To ILS(I)
3090 MM = N1(IAR(I, M))
3100 SUM3 = 0
3110 For N = 1 To ILS(I)
3120 NN = N1(IAR(I, N))
3130 SUM3 = SUM3 + CTH(I, N) * Exp(-A(NN, MM) / TK)
3140 Next N
3150 SUM2 = SUM2 + CTH(I, M) * (Exp(-A(KK, MM) / TK)) / SUM3
3160 SUM1 = SUM1 + CTH(I, M) * Exp(-A(MM, KK) / TK)
3170 Next M
3180 LNG(I, K) = Q(IAR(I, K)) * (1 - Log(SUM1) - SUM2)
3190 Next K
D-13
3200 Next I
3210 'GAMMA RESIDUAL FOR EACH GROUP IN MIXTURE
3230 SUM1 = 0: SUM2 = 0
3240 KK = N1(IARM(K))
3250 For M = 1 To KMAX
3260 MM = N1(IARM(M))
3270 SUM3 = 0
3280 For N = 1 To KMAX
3290 NN = N1(IARM(N))
3300 SUM3 = SUM3 + CTHM(N) * Exp(-A(NN, MM) / TK)
3310 Next N
3320 SUM2 = SUM2 + CTHM(M) * (Exp(-A(KK, MM) / TK)) / SUM3
3330 If MM = KK Then GoTo 3380
3340 If A(MM, KK) <> 0 Then GoTo 3380
3341 If MM = 7 And KK = 31 Then GoTo 3380
3350 If IAPFLG = 1 Then GoTo 3380
3360 IAFLG = IAFLG + 1
3370 AMS1(IAFLG) = N2(IARM(M)): AMS2(IAFLG) = N2(IARM(K))
3380 SUM1 = SUM1 + CTHM(M) * Exp(-A(MM, KK) / TK)
3390 Next M
3400 LNGM(K) = Q(IARM(K)) * (1 - Log(SUM1) - SUM2)
3410 Next K
3420 'GAMMA RESIDUAL FOR EACH MOLECULE
3440 Sum = 0
3470 If IARM(K) = IAR(I, J) Then GoTo 3490
3480 Next K
3490 Sum = Sum + AN(I, J) * (LNGM(K) - LNG(I, J))
3500 Next J
D-14
3510 LG(I) = Sum + LGC(I)

3520 G(I) = Exp(LG(I))
3530 Next I
3540 If IAPFLG > 0 Then GoTo 3690
3550 IAPFLG = 1
3560 If IAFLG > 0 Then GoTo 3590
3570 Print: Print "All interaction parameters are available."
3580 GoTo 3690
3590 CLS: Print "Interaction parameters unavailable (and set to zero) for the"
3600 Print "following pairs of groups:": Print
3610 For IAFLAG = 1 To IAFLG
3620 If AMS1(IAFLAG) < AMS2(IAFLAG) Then GoTo 3640
3630 Print "
", N2$(AMS1(IAFLAG)), " with ", N2$(AMS2(IAFLAG))
3640 Next IAFLAG

3650 Print: Print "Press any key to continue":
3670 If INKEY$ = "" Then GoTo 3670
3680 CLS
3690 If IRTRN = 1 Then GoTo 4700
3700 If IRTRN = 2 Then GoTo 2170
3710 CLS
3720 Print: Print: Print Tab(27); "COMPONENT ACTIVITY COEFFICIENTS"
3730 Print Tab(27); "-------------------------------"
3740 L1$ = "
& +###.## &"
3750 Print: Print USING; L1$; "Temperature:"; TC; "Deg C": Print Tab(13); "--------------------------"
3760 Print Tab(13); "No
Name
Mole Fraction Activity Coefficient"
3770 Print Tab(13); "-- ------------
-------------
3780 L1$ = "
#.#####
##
--------------------"
#########.####"

3800 Print USING; L1$; I; C$(I); X(I); G(I)
3810 Next I
3820 PRINT : RETURN 1450
3830 'EXIT>
3840 Key OFF: CLS: Print "BYE...AND THANK YOU FOR USING UNIFAC....."
3850 End
D-15
3860 'COMPUTATION OF GROUP MOLE FRACTIONS>

3870 For J = 1 To ILS(1)
3880 IARM(J) = IAR(1, J): ANM(J) = AN(1, J): ANMX(J) = X(1) * AN(1, J)
3890 Next J
3900 KMAX = ILS(1)
3940 If IARM(K) = IAR(I, J) Then GoTo 3960
3950 GoTo 3980
3960 ANM(K) = ANM(K) + AN(I, J)
3970 ANMX(K) = ANMX(K) + X(I) * AN(I, J): GoTo 4030
3980 Next K
3990 KMAX = KMAX + 1
4000 IARM(KMAX) = IAR(I, J)
4010 ANM(KMAX) = AN(I, J)
4020 ANMX(KMAX) = X(I) * AN(I, J)
4030 Next J
4040 Next I
4050 Return
4060 'GROUP ENTRY ROUTINE>
4070 KEY(14) ON
4077 On Key(14) GoSub 4360
4080 KEY(11) ON
4082 On Key(11) GoSub 4350
4085 KEY(13) ON
4087 On Key(13) GoSub 4340
4090 KEY(12) ON
4095 On Key(12) GoSub 4330
4150 For JI = 1 To 85: Y(JI) = 0: Next JI: Z = 1
4160 CLS: Key OFF
4170 Print "ENTER FREQUENCY OF UNIFAC SUBGROUPS IN ", C$(I)
4180 Print "CURSOR KEYS ARE ACTIVE. BLANK = ZERO. PRESS ENTER WHEN DONE."
4190 For IJ = 1 To 20
4200 LOCATE IJ + 3, 1: Print N2$(IJ)
D-16
4210 LOCATE IJ + 3, 15: Print N2$(IJ + 20)

4240 Next IJ
4250 For IJ = 81 To 85
4260 LOCATE IJ - 77, 55: Print N2$(IJ)
4270 Next IJ
4280 GoSub 4370
4290 A$ = INKEY$
4291 If IKYFLG = 0 And A$ = DOWN$ Then GoSub 4360
4292 If IKYFLG = 0 And A$ = UP$ Then GoSub 4350
4293 If IKYFLG = 0 And A$ = RGHT$ Then GoSub 4340
4294 If IKYFLG = 0 And A$ = LFT$ Then GoSub 4330
4300 If A$ = Chr$(13) Then GoTo 4460 Else If A$ = "" Then GoTo 4290 Else G = Val(A$)
4310 If G > 9 Then BEEP Else GoSub 4450
4320 GoTo 4290
4330 Z = Z - 20: If Z < 1 Then BEEP: Z = Z + 20: Return Else GoTo 4370
4340 Z = Z + 20: If Z > 85 Then BEEP: Z = Z - 20: Return Else GoTo 4370
4350 Z = Z - 1: If Z < 1 Then BEEP: Z = Z + 1: Return Else GoTo 4370
4360 Z = Z + 1: If Z > 85 Then BEEP: Z = Z - 1: Return Else GoTo 4370
4370 If Z < 1 Then Z = 1
4380 If Z < 21 Then LOCATE Z + 3, 11, 1: Return
4390 If Z < 41 Then LOCATE Z - 17, 24, 1: Return
4430 If Z > 85 Then Z = 85: GoTo 4370
4440 Return
4450 Y(Z) = G
4452 If Y(Z) > 0 Then Print Y(Z) Else Print " "
4454 GoTo 4370
4460 JM = 1
4470 For Z = 1 To 85
4480 If Y(Z) = 0 Then GoTo 4520
4490 If JM = 11 Then GoTo 1840
D-17
4500 IAR(I, JM) = Z: AN(I, JM) = Y(Z)

4510 JM = JM + 1
4520 Next Z
4530 ILS(I) = JM - 1
4540 CLS: Z = 1: GoTo 1780
4550 'KEY OFF ROUTINE>
4560 KEY OFF: FOR I = 1 TO 10: KEY(I) OFF: KEY I, "": NEXT I
4570 Return
4580 'ACTIVITY COEFFICIENT LIST
4590 GoSub 4560
4600 IRTRN = 1: CLS
4610 Print " x(1)
GAM(1)
GAM(2)
GEX(J/MOL)"
4620 L1$ = " #.#### #.####^^^^ #.####^^^^
#.####^^^^"
4630 For IXX = 1 To 21: X(1) = 0.05 * (IXX - 1): X(2) = 1 - X(1)
4640 If X(1) > 0! Then GoTo 4660
4650 X(1) = 0.000001: X(2) = 0.999999
4660 If X(2) > 0 Then GoTo 4680
4670 X(1) = 0.999999: X(2) = 0.000001
4680 GoSub 3870
4690 GoTo 2630
4700 GAM(1, IXX) = G(1): GAM(2, IXX) = G(2)
4710 GEX = 8.314 * TK * (X(1) * LG(1) + X(2) * LG(2))
4720 If IXX = 1 Or IXX = 21 Then GEX = 0
4730 Print USING; L1$; X(1); GAM(1, IXX); GAM(2, IXX); GEX
4740 Next IXX
4750 ILST = 1
4760 RETURN 1450
4770 'x-y-T-P LIST
4780 CLS: GoSub 4560
4790 If IPVAC = 0 Then GoTo 4840
4800 For I = 1 To 2
4810 PVAP(I) = Exp(AA(I) - BB(I) / (TK + CC(I)))
4820 Next I
4830 IPVAP = 1
4840 If IPVAP = 1 Then GoTo 4890
D-18
4850 For I = 1 To 2
4860 Print "Enter vapor pressure of ", C$(I), "(in units of bar)"
4870 INPUT PVAP(I): NEXT I
4880 IPVAP = 1
4890 CLS: Print " x(1)
4900 L1$ = " #.####
y(1)
y(2)
#.#### #.####
P(bar)"
#.####^^^^"
4910 For I = 1 To 21
4920 X(1) = 0.05 * (I - 1): X(2) = 1 - X(1): XX(I) = X(1)
4930 P1 = X(1) * GAM(1, I) * PVAP(1)
4940 P2 = X(2) * GAM(2, I) * PVAP(2)
4950 P(I) = P1 + P2
4960 YY(1, I) = P1 / (P1 + P2)
4970 YY(2, I) = P2 / (P1 + P2)
4980 Print USING; L1$; X(1); YY(1, I); YY(2, I); P(I)
4990 Next I
5000 ILST1 = 1: RETURN 1450
5010 'x-y GRAPH
5030 L1$ = "x-y DIAGRAM OF \
\ AND \
\"
5040 LOCATE 9, 20: Print USING; L1$; C$(1); C$(2)

5050 LOCATE 11, 20: Print "**
PRESS ANY KEY TO BEGIN
**"
5060 LOCATE 12, 20: Print "** AND PRESS ANY KEY WHEN FINISHED **"
5070 A$ = INKEY$
5080 If A$ = "" Then GoTo 5070
5090 Screen 2
5100 CLS
5110 VIEW (60, 164)-(624, 3), , 1
5120 WINDOW (0, 0)-(1, 1)
5130 For I = 1 To 9
5140 IF I < 2 THEN LINE (0!, .1 * I)-(.6, .1 * I), , , &HF0F0
5150 IF I >= 2 THEN LINE (0!, .1 * I)-(1!, .1 * I), , , &HF0F0
5160 IF I < 7 THEN LINE (.1 * I, 0!)-(.1 * I, 1), , , &HCCCC
5170 IF I >= 7 THEN LINE (.1 * I, .2)-(.1 * I, 1), , , &HCCCC
5180 Next I
5190 Line (0.6, 0)-(0.6, 0.2): Line -(1!, 0.2)
D-19
5200 LOCATE 22, 8: Print "0"; Tab(21); "0.2"; Tab(35); "0.4"; Tab(49); "0.6"; Tab(63); "0.8"; Tab(78); "1.0"
5210 LOCATE 23, 32: Print "Liquid mole fraction of 1"
5220 For I = 1 To 6
5230 YLBL = 1 - 0.2 * (I - 1)
5240 LOCATE 1 + 4 * (I - 1), 5: Print USING; "#.#"; YLBL: Next I
5250 H$(1) = "V": H$(2) = "a": H$(3) = "p": H$(4) = "o": H$(5) = "r": H$(6) = " ": H$(7) = "m"
5260 H$(8) = "o": H$(9) = "l": H$(10) = "e": H$(11) = " ": H$(12) = "f": H$(13) = "r"
5270 H$(14) = "a": H$(15) = "c": H$(16) = " ": H$(17) = "1"
5280 For L = 1 To 17
5290 LOCATE L + 2, 1: Print H$(L): Next L
5300 L1$ = "1 = \
\"
5310 L2$ = "2 = \
\"
5320 L3$ = "T = ####.## C"

5330 LOCATE 18, 57: Print USING; L1$; C$(1)
5340 LOCATE 19, 57: Print USING; L2$; C$(2)
5350 LOCATE 20, 57: Print USING; L3$; TC
5360 Line (0, 0)-(1!, 1!)
5370 Line (0, 0)-(0, 0)
5380 For I = 1 To 21
5390 Line -(XX(I), YY(1, I)): Next I
5400 A$ = INKEY$
5410 If A$ = "" Then GoTo 5400
5420 Screen 0, 1
5430 GoTo 1450
5440 Return
5450 'ANTOINE CONSTANT ENTRY>
5470 For I = 1 To 2
5480 Print: Print "ENTER CONSTANTS IN EQUATION PVAP(BAR) = EXP(A-B/(T(K)+C))"
5490 Print "FOR ", C$(I), " OR 0 TO STOP": Print
5500 INPUT "A = ", AA(I): IF AA(I) = 0 THEN 1450
5510 INPUT "B = ", BB(I)
5520 INPUT "C = ", CC(I)
5530 Next I
5540 IPVAC = 1: GoTo 1450
D-20
"CH2",1,"CH3",1,.9011,.848,15.034
"CH2",1,"CH2",2,.6744,.54,14.026
"CH2",1,"CH",3,.4469,.228,13.018
"CH2",1,"C",4,.2195,0,12.010
"C=C",2,"CH2=CH",5,1.3454,1.176,27.044
"C=C",2,"CH=CH",6,1.1167,.867,26.036
"C=C",2,"CH2=C",7,1.1173,.988,26.036
"C=C",2,"CH=C",8,.8886,.676,25.028
"C=C",2,"C=C",9,.6605,.485,24.020
"ACH",3,"ACH",10,.5313,.4,13.018
"ACH",3,"AC",11,.3652,.12,12.01
"ACCH2",4,"ACCH3",12,1.2663,.968,27.044
"ACCH2",4,"ACCH2",13,1.0396,.66,26.036
"ACCH2",4,"ACCH",14,.8121,.348,25.028
"OH",5,"OH",15,1,1.2,17.008
"CH3OH",6,"CH3OH",16,1.4311,1.432,32.042
"H2O",7,"H2O",17,.92,1.4,18.016
"ACOH",8,"ACOH",18,.8952,.68,29.018
"CH2CO",9,"CH3CO",19,1.6724,1.488,43.044
"CH2CO",9,"CH2CO",20,1.4457,1.18,42.036
"CHO",10,"CHO",21,.998,.948,29.018
"CCOO",11,"CH3COO",22,1.9031,1.728,59.044
"CCOO",11,"CH2COO",23,1.6764,1.42,58.036
"HCOO",12,"HCOO",24,1.242,1.188,45.018
"CH2O",13,"CH3O",25,1.145,1.088,31.034
"CH2O",13,"CH2O",26,.9183,.78,30.026
"CH2O",13,"CH-O",27,.6908,.468,29.018
"CH2O",13,"FCH2O",28,.9183,1.1,30.026
"CNH2",14,"CH3NH2",29,1.5959,1.544,31.058
"CNH2",14,"CH2NH2",30,1.3692,1.236,30.50
"CNH2",14,"CHNH2",31,1.1417,.924,29.042
"CNH",15,"CH3NH",32,1.4337,1.244,30.50
"CNH",15,"CH2NH",33,1.207,.936,29.042
"CNH",15,"CHNH",34,.9795,.624,28.034
D-21
"(C)3N",16,"CH3N",35,1.1865,.94,29.042
"(C)3N",16,"CH2N",36,.9597,.632,28.034
"ACNH2",17,"ACNH2",37,1.06,.816,28.034
"pyridine",18,"C5H5N",38,2.9993,2.113,79.098
"pyridine",18,"C5H4N",39,2.8332,1.833,78.090
"pyridine",18,"C5H3N",40,2.667,1.553,77.082
"CCN",19,"CH3CN",41,1.8701,1.724,41.052
"CCN",19,"CH2CN",42,1.6434,1.416,40.044
"COOH",20,"COOH",43,1.3013,1.224,45.018
"COOH",20,"HCOOH",44,1.528,1.532,46.026
"CCl",21,"CH2Cl",45,1.4654,1.264,49.483
"CCl",21,"CHCl",46,1.238,.952,48.475
"CCl",21,"CCl",47,1.006,.724,47.467
"CCl2",22,"CH2Cl2",48,2.2564,1.988,84.940
"CCl2",22,"CHCl2",49,2.0606,1.684,83.932
"CCl2",22,"CCl2",50,1.8016,1.448,82.924
"CCl3",23,"CHCl3",51,2.87,2.41,119.389
"CCl3",23,"CCl3",52,2.6401,2.184,118.381
"CCl4",24,"CCl4",53,3.39,2.91,153.838
"ACCl",25,"ACCl",54,1.1562,.844,47.467
"CNO2",26,"CH3NO2",55,2.0086,1.868,61.042
"CNO2",26,"CH2NO2",56,1.7818,1.56,60.034
"CNO2",26,"CHNO2",57,1.5544,1.248,59.026
"ACNO2",27,"ACNO2",58,1.4199,1.104,58.018
"CS2",28,"CS2",59,2.057,1.65,76.142
"CH3SH",29,"CH3SH",60,1.877,1.676,48.108
"CH3SH",29,"CH2SH",61,1.651,1.368,47.100
"furfural",30,"furfural",62,3.168,2.481,96.090
"DOH",31,"(CH2OH)2",63,2.4088,2.248,60.052
"I",32,"I",64,1.264,.992,126.92
"Br",33,"Br",65,.9492,.832,79.916
"C~C",34,"CH~C",66,1.292,1.088,25.028
"C~C",34,"C~C",67,1.0613,.784,24.020
"Me2SO",35,"Me2SO",68,2.8266,2.472,78.131
"ACRY",36,"ACRY",69,2.3144,2.052,53.06
D-22
"ClCC",37,"Cl(C=C)",70,.791,.724,35.45
"ACF",38,"ACF",71,.6948,.524,31.01
"DMF",39,"DMF-1",72,3.0856,2.736,73.09
"DMF",39,"DMF-2",73,2.6322,2.12,71.09
"CF2",40,"CF3",74,1.406,1.38,69.01
"CF2",40,"CF2",75,1.0105,.92,50.01
"CF2",40,"CF",76,.615,.46,31.01
"COO",41,"COO",77,1.38,1.2,44.010
"SiH2",42,"SiH3",78,1.6035,1.2632,31.110
"SiH2",42,"SiH2",79,1.4443,1.0063,30.102
"SiH2",42,"SiH",80,1.2853,.7494,29.094
"SiH2",42,"Si",81,1.047,.4099,28.086
"SiO",43,"SiH2O",82,1.4838,1.0621,46.101
"SiO",43,"SiHO",83,1.303,.7639,45.093
"SiO",43,"SiO",84,1.1044,.4657,44.085
"NMP",44,"NMP",85,3.981,3.2,99.13
D.5 Prediction of Phase Equilibria K-Values

MATHCAD mcd-file for the for optimum parameter estimation and for
prediction vapor-liquid equilibrium data by means of selected equation of state.
Modified
SOAVE
Equation of state
X1=Ethanol
X2=2-methyl-2-propanol
i:=1,2..30
j:=1..2
D-23
X1 i :=
R
Y1 i :=
X2 i :=1-X1 i
Y2 i :=1-Y1 i
Ti:=
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44
K1i
0.0000
0.0357
0.0749
0.1015
0.1220
0.1788
0.2485
0.3122
0.3455
0.4128
0.4378
0.4798
0.5440
0.5792
0.6060
0.6256
0.6743
0.6902
0.7140
0.7594
0.8211
0.8366
0.8671
0.8784
0.8946
0.9088
0.9122
0.9177
0.9359
0.9610
0.0000
0.0323
0.0679
0.0921
0.1107
0.1627
0.2263
0.2845
0.3147
0.3764
0.3990
0.4380
0.4978
0.5309
0.5562
0.5756
0.6234
0.6383
0.6625
0.7088
0.7747
0.7920
0.8271
0.8402
0.8592
0.8763
0.8805
0.8871
0.9099
0.9420
Y1i
X1i
K2i
1.0000
0.9677
0.9321
0.9079
0.8893
0.8373
0.7737
0.7155
0.6853
0.6236
0.6010
0.5620
0.5022
0.4691
0.4438
0.4244
0.3766
0.3617
0.3375
0.2912
0.2253
0.2080
0.1729
0.1598
0.1408
0.1237
0.1195
0.1129
0.0901
0.0580
Y2i
X2i
D-24
1.0000
0.9643
0.9251
0.8985
0.8780
0.8212
0.7515
0.6878
0.6545
0.5872
0.5622
0.5202
0.4560
0.4208
0.3940
0.3744
0.3257
0.3098
0.2860
0.2406
0.1789
0.1634
0.1329
0.1216
0.1054
0.0912
0.0878
0.0823
0.0641
0.0390
F1( X1, X2, Y1 , Y2 , T , K12, h12, n1, n2, m1 , m2 )
Pc1 5.168
Pc2 3.035
Tc1 536.74
Tc2 507.90
w1 .623
w2 .299
R 8.314
P 0.101325
for j 1 .. 2
Trj
T
Tcj
P
Prj
Pcj
for j 1 .. 2
R.Tcj
aj 0.42747 .
bj 0.08664 .
Pcj
R.Tcj
Pcj
1 1 m1 . 1 Tr1
1
n1.
1
Tr1
2 1 m2 . 1 Tr2
1
n2.
1
Tr2
Aj 0.42747 . j .
Bj 0.08664 .
Prj
Trj
Prj
Trj
2
AL ( X1) .A1
2 .X1.X2.( 1 K12) . A1.A2
2
( X2) .A2
2
AV ( Y1) .A1
2 .Y1 .Y2 .( 1 K12) . A1.A2
2
( Y2) .A2
B1 B2
BL X1 .B1 2 .X1.X2.( 1 h12) .

2
X2 .B2
2
2
B1 B2
2
BV Y1 .B1 2 .Y1 .Y2 .( 1 h12) .
2
Y2 .B2
aL
2
( X1) . 1.a1
2 .X1.X2.( 1 K12) . a1. 1.a2. 2
2
( X2) .a2. 2
aV
2
( Y1) . 1.a1
2 .Y1 .Y2 .( 1 K12) . a1. 1.a2. 2
2
( Y2) .a2. 2
2
bL X1 .b1 2 .X1.X2.( 1 h12) .
2
bV Y1 .b1 2 .Y1 .Y2 .( 1 h12) .
b1 b2
2
b1 b2
2
X2 .b2
2
2
Y2 .b2
zL 0
zV 1
ZL root ( zL)
2
( 1 BL) .( zL)
ZV root ( zV)
( 1 BV) .( zV)
( AL) ( BL)
( BL) .zL
. , zL
ALBL
( AV) ( BV)
( BV) .zV
. , zV
AVBV
B1
B
2 .
.( ZL 1) ln( ZL BL) AL. 1
L1
( X1) . a1. 1
BL BL aL
BL
BL
X2.( 1 K12) . a1. 1.a2. 2 .ln 1
ZL
B
B1
2 .
.( ZV 1) ln( ZV BV) AV. 1
( Y1) . a1. 1
BV BV aV
BV
BV
Y2 .( 1 K12) . a1. 1.a2. 2 .ln 1
ZV
V1
K1cal
( exp( ( L1) ) )
( exp( ( V1) ) )
K1cal
D-25
F2( X1, X2, Y1 , Y2 , T , K12, h12, n1, n2, m1 , m2 )
Pc1 5.168
Pc2 3.035
Tc1 536.74
Tc2 507.90
w1 .623
w2 .299
R 8.314
P 0.101325
for j 1 .. 2
Trj
T
Tcj
P
Prj
Pcj
for j 1 .. 2
R.Tcj
aj 0.42747 .
bj 0.08664 .
Pcj
R.Tcj
Pcj
1 1 m1 . 1 Tr1
1
n1.
1
Tr1
2 1 m2 . 1 Tr2
1
n2.
1
Tr2
Aj 0.42747 . j .
Bj 0.08664 .
Prj
Trj
Prj
Trj
2
AL ( X1) .A1
2 .X1.X2.( 1 K12) . A1.A2
2
( X2) .A2
2
AV ( Y1) .A1
2 .Y1 .Y2 .( 1 K12) . A1.A2
2
( Y2) .A2
B1 B2
BL X1 .B1 2 .X1.X2.( 1 h12) .

2
X2 .B2
2
2
B1 B2
2
BV Y1 .B1 2 .Y1 .Y2 .( 1 h12) .
2
Y2 .B2
aL
2
( X1) . 1.a1
2 .X1.X2.( 1 K12) . a1. 1.a2. 2
2
( X2) .a2. 2
aV
2
( Y1) . 1.a1
2 .Y1 .Y2 .( 1 K12) . a1. 1.a2. 2
2
( Y2) .a2. 2
2
bL X1 .b1 2 .X1.X2.( 1 h12) .
2
bV Y1 .b1 2 .Y1 .Y2 .( 1 h12) .
b1 b2
2
b1 b2
2
X2 .b2
2
2
Y2 .b2
zL 0
zV 1
ZL root ( zL)
2
( 1 BL) .( zL)
ZV root ( zV)
( 1 BV) .( zV)
( AL) ( BL)
( BL) .zL
. , zL
ALBL
( AV) ( BV)
( BV) .zV
. , zV
AVBV
B2
B
2 .
.( ZL 1) ln( ZL BL) AL. 2
L2
( X2) . a2. 2
BL BL aL
BL
BL
X1.( 1 K12) . a1. 1.a2. 2 .ln 1
ZL
B
B2
2 .
.( ZV 1) ln( ZV BV) AV. 2
( Y2) . a2. 2
BV BV aV
BV
BV
Y1 .( 1 K12) . a1. 1.a2. 2 .ln 1
ZV
V2
K2cal
( exp( ( L2) ) )
( exp( ( V2) ) )
K2cal
D-26
Sum of Squares to be Minimized :

K1i F1 X1i , X2i , Y1i , Y2i , Ti , K12, h12, n1, n2, m1 , m2
(
, h12, n1, n2, m1 , m2 )
SSEK12
K2i F2 X1i , X2i , Y1i , Y2i , Ti , K12, h12, n1, n2, m1 , m2

i
Given
SSEK12
(
, h12, n1, n2, m1 , m2 ) 0
K12
h12
n1
Minerr( K12, h12, n1, n2, m1 , m2 )
n2
m1
m2
parameters for best fit

U
K12=0.0237
h12=0.2163
R:=8.314
n1=0.3125
n2=0.6958
T
P
Tri , j := i
Tc j
Pc j
Pr j =
Tc j :=
Pc j :=
w j :=
0.649
0.631
6.148
3.973
513.92
507.90
aj
0.42747 .
R.Tcj
P:=0.1013
bj
n1.
0.42747 . i ,j .
Pcj
i ,1 1 m1 . 1 Tri ,1
Ai ,j
m1=0.7446
m2=0.6943
Tri ,1
Prj
Tri ,j
0.08664 .
R.Tcj
Pcj
i ,2 1 m2 . 1 Tri ,2
Bi ,j
0.08664 .
Prj
Tri ,j
D-27
n2.
1
Tri ,2
aLi
2
X1i . i ,1.a1
2 .X1i .X2i .( 1 K12) . a1. i ,1.a2. i ,2
2
X2i .a2. i ,2
aVi
2
Y1i . i ,1.a1
2 .Y1i .Y2i .( 1 K12) . a1. i ,1.a2. i ,2
2
Y2i .a2. i ,2
bLi
2
X1i .b1 2 .X1i .X2i .( 1 h12) .
bVi
2
Y1i .b1 2 .Y1i .Y2i .( 1 h12) .
zL 0
ZLi
zV 1
b1 b2
2
b1 b2
2
TOL 10
2
X2i .b2
2
Y2i .b2
15
root( FzL( zL) , zL)
ZVi root( FzV( zV) , zV)
L1i
V1i
L2i
V2i
K1cali
Bi ,1
BLi
Bi ,1
BVi
Bi ,2
BLi
Bi ,2
BVi
. ZL 1
i
ln ZLi BLi
ALi Bi ,1 2
. X1 . a .
.
i
1 i ,1
BLi BLi aL
i
X2i .( 1 K12) . a1. i ,1.a2. i ,2 .ln 1
. ZV 1
i
ln ZVi BVi
AVi Bi ,1 2
. Y1 . a .
.
i
1 i ,1
BVi BVi aV
i
Y2i .( 1 K12) . a1. i ,1.a2. i ,2 .ln 1
. ZL 1
i
ln ZLi BLi
ALi Bi ,2 2
.
. X2 . a .
i
2 i ,2
BLi BLi aL
i
X1i .( 1 K12) . a1. i ,1.a2. i ,2 .ln 1
. ZV 1
i
ln ZVi BVi
AVi Bi ,2 2
.
. Y2 . a .
2 i ,2
i
BVi BVi aV
i
Y1i .( 1 K12) . a1. i ,1.a2. i ,2 .ln 1
exp L1i
exp V1i
K2cali
exp L2i
exp V2i
D-28
BLi
ZLi
BVi
ZVi
BLi
ZLi
BVi
ZVi
K1 i
R
RR
1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083
1.0000
K1cal i
1.1034
1.1022
1.1015
1.1018
1.0993
1.0983
1.0975
1.0977
1.0968
1.0972
1.0954
1.0930
1.0909
1.0896
1.0870
1.0817
1.0813
1.0778
1.0714
1.0599
1.0563
1.0484
1.0454
1.0412
1.0371
1.0360
1.0345
1.0286
1.0202
RR
K2 i
1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654
K2cali
1.0000
0.9965
0.9926
0.9897
0.9873
0.9807
0.9712
0.9612
0.9551
0.9416
0.9354
0.9256
0.9079
0.8971
0.8877
0.8821
0.8648
0.8565
0.8474
0.8262
0.7942
0.7855
0.7685
0.7611
0.7486
0.7374
0.7348
0.7292
0.7111
0.6724
AVi .BVi
Vi
AVi
BVi
1 BVi
BVi
ri
polyrootsVi
3.337 10
r1 =
0.023
0.971
D-29
No
Mean overall Deviation
30
20
measure the overall goodness of the Fit of data

K1cali
K1i
Mean Deviation %
for K1
K1i
0.5020
. 100 = 7.505
No
K2cali
K2i
Mean Deviation %
for K2
K2i
No
. 100 = 1.660.8001
Average Absolute Deviation AAD

K1i
for K1
K1cali
= 0.047 0.0064
No
for K2
K2i
i
K2cali
= 0.035 0.0410
No
D-30
D-31
Appendix E : Example of calculation
APPENDIX E
Example of calculation
Example: To calculate vapor liquid equilibria for the binary system Ethanol(1) + 2methyl-2-propanol at pressure 101.3 kPa and temperature 355.35 K by using the
Wong-Sandler mixing rules and the PRSV EOS with using the GE of NRTL
expression. x1= 0.0721 and y1=0.0779 at 355.35 K from [3].
Component
Ethanol
2-methyl-2-propanol
R 2Tci2
ai = 4.57235
Pc
Tc / K
513.92
506.21
T
i
Tci
T
i = 1 + k i 1
Tci
Tci
Pc/ bar
61.48
39.73
0649
0.613
1/ 2
T 2
T
k i = 0.378893 + 1.4897 i 0.17138 + 0.0196554 + k i 1 + 0.7
Tci
Tci
The parameters k1(1) , k 2(1) , kij and C are found by fitting experimental values using
maximum likelihood principle method.
k1(1) = 0.1573 , k 2(1) = 0.2311 , kij=0.364 and C=-0.401
2
i
3
i
k1= 1.2632
k2=1.27804
1/ 2
T
355.35
1 = 1 + 1.26321

513.92
Tc1
T
= 2.8956
Tc1
E_1
(1)
T
Tc 2
= 2.9238
a1=3.93*108
a2=5.96*108
bi = 0.077796
RTci
Pci
b1=54.0665
b2=82.4099
a12 = (a1 a 2 )
1/ 2
(1 k12 )
a12=3.078*108
The parameters gij ,gii,gjj and ij are found by experimental values using
maximum likelihood principle method.
Ethanol+ 2-methyl-2propanol
ij =
g11
g22
1745.000 14.885
g ij g jj
RT
= 1.259
21
12 = 1845
Gij = exp( ij ij )
G12=0.586
G21=0.694
For NRTL expression
G Ev
= y1 y
RT
21G21
12 G12
+
y +G y
y 2 + G12 y
21 2
2 1
G Ev
= 0.1676
RT
G EL
= 0.15378
RT
E_2
g12
12
5465.00 0.290
b =
y y (b a / RT )
i =1 j =1
ij
2
a
G Ev
y i ii +
b
C
1
=
i
i
a
1
1
(a11 a 22 )1 / 2 (1 k12 )
= (b1 + b2 )
b
RT 12 2
RT
1
1
RT
4
= 1.035 * 10
b
RT 12
4
= 1.3248 * 10
b
RT 11
4
= 2.009 * 10
b
RT 22
bv=76.596
bL=77.006
G Ev
a
a
av = bv
+ y1 11 + y 2 22
b1
b2
C
av=5.532*108
aL=5.601*108
DL =
2
a
1 GE
+ xi i
C RT i =1 RTbi
DL=244.498
2
Q L = xi x j (b a / RT )ij
i =1 j =1
Q = 1.875 * 10 4
L
E_3
1 n 2 Q L
n n1
= 2 x 2 (b a / RT )12 + 2 x1 (b a / RT )11
T , n2
1 n 2 Q L
n n1
= 2.111 * 10 4
T , n2
1
RT
nG
n1
1
RT
nG E
n1
nD L
n1
T , n2
x2
x2
x 2 + x1 x 2 G12 + 2 x1G12
x1 x 2 + x 22 G21 x1 + 2 G21
x1
x1
+ 12 G12
= 21G21
2
(x1 + x2 G21 )
(x2 + x1G12 )2
= 30.385
T , n2
a1
1 nG E
=
+
RTb
CRT
1
n1
T , n2
nD L
n1
T , n2
= 170.262
T , n2
nb L
n1
=
L
T , n2 1 D
nb L
n1
= 33.168
T , n2
1 n 2 Q L

n n1
1 n 2 a L
n n1
nb L
= RTD L
n1
T , n2
1 n 2 a L
n n1
= 6.269 * 10 8
T , n2
QL

1 D L
nD L
+ RTb L
n1
nD L
1
n1
ZL and ZV are Compressibility Factor obtained from optimization

ZL=0.1221
ZV=0.9011
nb L
bL
1
+
+ L Z L 1
RT b
n1 2
1 nb L V L + 1
ln
L
b n1 T ,n V L + 1 +
2
ln 1L = ln Z L + ln
1
L
na
n 2 a L
n1
T , n2
(
(
aL
2b L RT
)
2 )b
2 bL
E_4
Calculation of vapor and liquid fugacity coefficients using computer

program
ln 1L = 2.351
1L = 0.855
In the same manner

ln 2L = 1.948
2L = 0.667
And
1V = 0.789
V2 = 0.671
1L
K1 = V
1
K 1 = 1.0832
K2 =
2L
V2
K 2 = 0.9936
x1cal . = 0.0709
x 2cal . = 0.9291
y1cal . = 0.0768
y 2cal . = 0.9232
E_5

.

.

.

-2 " :-2- +-2+-2-"
"-2+-2- +" " -2-2- + +"
101,3 . ":-2+-2-
" -2 " -2- + " " -2-2- +"
101,3 . "-2-2- +"
) (minimum azeotrope ) 0.955=x 1 (AZ
R
) 327.94= T(AZ
) thermodynamic
(consistency ).(McDermott-Ellis method

) (Kvalues )(VLE
: ) modified Soave Redlich and
) (Kwong (SRK )) (modified Peng and Robinson (PR

.
) (Redlich and Kwong (SRK
) modified Soave
) (NRTL,UNIQUAC and UNIFAC )) modified Peng and
( Robinson (PR
(NRTL,UNIQUAC
) and UNIFAC . PRSV
) (Wong-Sandler . Gibbs
.NRTL and UNIQUAC

) (K values ) maximum
(likelihood principle
.

) (PRSV
) (Wong-Sandler
) (GE ) (NRTL
P
) (K-values
.
. 71 )( K-values
) (Wong-Sandler
) (PRSV ) (GE )(NRTL
P
) overall average absolute
) (deviations (AAD ) overall percentage
(mean deviations 0.0232 0.8387 .

. 298 )K -
(values
) (Wong-Sandler ) (PRSV
) (GE ) (NRTL
P
)) (overall average absolute deviations (AAD

) (overall percentage mean deviations 0.011
1.387 .
-

101.3

2003
2008

Can Bang Long Hoi

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Ministry of Higher Education

& scientific research

RAWA ABD AL RAZAQ KHAMAS

: Dr. Khalid F. Chasib

Name :prof. Dr. Balasim A. Abid

: Dr.Adnan A. abdul Razak

Approval by the University of technology

: Dr. Khalid F. Chasib

propanol+Octane, and MTBE+Ethanol+Octane at 101.3kPa are

studied. furthermore three binary systems: ethanol+2-Methyl-2-propanol,

NRTL activity coefficient models, the overall average absolute deviations

2.6.1 Properties of MTBE

2.6.1.1 Physical Properties

2.6.1.2 Blending Characteristics

2.6.2 Properties of Ethanol

2.6.2.1 Physical Properties

2.6.2.2 Blending Characteristics

2.6.3 Other Oxygenates

2.7 Environmental impact of using oxygenates in gasoline

2.8 Methods of Calculation of Vapor-Liquid Equilibria by Means 20

Properties from Equation of State

Fugacity and Fugacity Coefficients

Redlich - Kwong Equation of State (RK EOS)

Soave Redlich - Kwong Equation of State (SRK

SRK-EOS Mixing Rules

SRK-EOS Fugacity Coefficient

Peng-Robinson Equation of State (PR EOS)

PR-EOS Mixing Rules

PR-EOS Fugacity Coefficient

SRK and PR Equations of State Failure and

Activity Coefficient Models

Activity and Activity Coefficients

Prediction and Correlation of Vapor Liquid Equilibrium 45

Non-Random Two-Liquid (NRTL) Model

The UNIQUAC Equations

Principle of the Group Contribution Methods

3.5.3.1 UNIFAC model

Calculations with Mixing Rules Based on GE Models.

Wong-Sandler mixing rules

Peng-Robbinson-Strryjek-Vera Equation of state(PRSV-

Using NRTL expression

Using UNIQUAC expression

Phase Equilibrium Calculations (K-Values)

Modification of Mixing and Combining Rules

First Correlation Approach Method

Second Correlation Approach Method

Equation of State Roots

3.10 Parameter Estimation

Effects of Estimated Variances

3.11 Thermodynamic Consistency Test

4.1.2 Ternary systems

4.2 Thermodynamic Consistency Test

4.3 Statistical Measurement and Analysis of Dispersion

4.4 Improvement of Equation of State

4.5 Computer Implementation

Estimation of Equilibrium Constant

4.5.2 Solution of Cubic Equation of State

4.5.3 Interaction Coefficient

4.6 Discussion of Results

4.6.1 Binary systems

Conclusion and Recommendation for future work

5.2 Recommendation for Future Work

A.1 Binary systems