+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+ + + +
+ + + +
+ + +
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ + +
+ + + +
+ + + +

+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+

+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
TM

AAAAA
A A
AAAAA
A A
A A

SSSSS
S
SSSSS
S
SSSSS

PPPPP
P P
PPPPP
P
P

EEEEE
E
EEEEE
E
EEEEE

ASPEN PLUS IS A TRADEMARK OF

ASPEN TECHNOLOGY, INC.
200 WHEELER ROAD
BURLINGTON, MASSACHUSETTS 01803
781/221-6400
PLATFORM: WINDOWS
VERSION: 32.0 Build 29
INSTALLATION:

NN
N
N N N
N N N
N
NN
N
N

PPPPP
P P
PPPPP
P
P

L
L
L
L
LLLLL

U U
U U
U U
U U
UUUUU

SSSSS
S
SSSSS
S
SSSSS

HOTLINE:
U.S.A. 888/996-7100
EUROPE (44) 1189-226555

APRIL 7, 2016
THURSDAY
8:03:35 P.M.

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE

ASPEN PLUS (R) IS A PROPRIETARY PRODUCT OF ASPEN TECHNOLOGY, INC.

(ASPENTECH), AND MAY BE USED ONLY UNDER AGREEMENT WITH ASPENTECH.
RESTRICTED RIGHTS LEGEND: USE, REPRODUCTION, OR DISCLOSURE BY THE
U.S. GOVERNMENT IS SUBJECT TO RESTRICTIONS SET FORTH IN
(i) FAR 52.227-14, Alt. III, (ii) FAR 52.227-19, (iii) DFARS
252.227-7013(c)(1)(ii), or (iv) THE ACCOMPANYING LICENSE AGREEMENT,
AS APPLICABLE. FOR PURPOSES OF THE FAR, THIS SOFTWARE SHALL BE DEEMED
TO BE "UNPUBLISHED" AND LICENSED WITH DISCLOSURE PROHIBITIONS.
CONTRACTOR/SUBCONTRACTOR: ASPEN TECHNOLOGY, INC. 200 WHEELER ROAD,
BURLINGTON, MA 01803.
TABLE OF CONTENTS
RUN CONTROL SECTION.................................... 1
RUN CONTROL INFORMATION........................... 1
PHYSICAL PROPERTIES SECTION............................ 2
COMPONENTS........................................ 2
PROPERTY PARAMETERS............................... 3
PROBLEM STATUS SECTION................................. 22
BLOCK STATUS...................................... 22

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 1

RUN CONTROL SECTION

RUN CONTROL INFORMATION
----------------------THIS COPY OF ASPEN PLUS LICENSED TO
TYPE OF RUN: NEW
INPUT FILE NAME: _4410vtt.inm
OUTPUT PROBLEM DATA FILE NAME: _4410vtt
LOCATED IN:
PDF SIZE USED FOR INPUT TRANSLATION:
NUMBER OF FILE RECORDS (PSIZE) =
0
NUMBER OF IN-CORE RECORDS
= 256
PSIZE NEEDED FOR SIMULATION
= 256
CALLING PROGRAM NAME:
apmain
LOCATED IN: C:\Program Files (x86)\AspenTech\Aspen Plus V8.6\Engine\\xeq
TGS ONLY RUN

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

PHYSICAL PROPERTIES SECTION

COMPONENTS
---------ID
TYPE ALIAS
ETHYL-01 C
C5H10O3-D2
LACTI-01 C
C3H6O3-D1

NAME
ETHYL-LACTATE
LACTIC-ACID

04/07/2016 PAGE 2

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 3

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS
------------------PARAMETERS ACTUALLY USED IN THE SIMULATION
PURE COMPONENT PARAMETERS
------------------------COMPONENT ID: ETHYL-01
FORMULA: C5H10O3-D2

NAME: C5H10O3-D2

SCALAR PARAMETERS
----------------PARAM SET DESCRIPTIONS
NAME NO.
API

1 STANDARD API GRAVITY

VALUE

UNITS

SOURCE

5.9026

PURE32

CHARGE 1 IONIC CHARGE

0.0000

DEFAULT

CHI

0.0000

DEFAULT

CMPCLASS1 COMPONENT CLASS INDEX

460.00

DEFAULT

DCPLS

12.263

1 STIEL POLAR FACTOR

1 DIFFERENCE BETWEEN LIQUID AND

SOLID CP AT TRIPLE POINT

DGFORM 1 IDEAL GAS GIBBS ENERGY

OF FORMATION

CAL/MOL-K

-0.10282E+06 CAL/MOL

PURE32
PURE32

DGSFRM 1 SOLID GIBBS ENERGY OF FORMATION

0.0000

CAL/MOL

DEFAULT

DHAQFM 1 AQUEOUS INFINITE DILUTION

ENTHALPY OF FORMATION

0.0000

CAL/MOL

DEFAULT

DHFORM 1 IDEAL GAS ENTHALPY OF FORMATION

-0.14085E+06 CAL/MOL

PURE32

DHSFRM 1 SOLID ENTHALPY OF FORMATION

0.0000

CAL/MOL

DEFAULT

DHVLB

1 ENTHALPY OF VAPORIZATION AT TB

10346.

CAL/MOL

PURE32

DLWC

1 WILKE-CHANG
DIFFUSING-COMPONENT FLAG

1.0000

DEFAULT

DVBLNC 1 CHAPMAN-ENSKOG-WILKE-LEE
DIFFUSING COMPONENT FLAG

1.0000

DEFAULT

FREEZEPT1

-26.000

PURE32

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 4

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
PARAM SET DESCRIPTIONS
NAME NO.
HCOM

1 STANDARD ENTHALPY OF COMBUSTION

AT 25 C

VALUE

UNITS

-0.60301E+06 CAL/MOL

SOURCE
PURE32

HCTYPE 1 HYDROCARBON COMP CLASS INDEX

0.0000

DEFAULT

HFUS

1 HEAT OF FUSION

3128.9

CAL/MOL

PURE32

MUP

1 DIPOLE MOMENT

2.3999

DEBYE

PURE32

MW

1 MOLECULAR WEIGHT

118.13

PURE32

OMEGA

1 PITZER ACENTRIC FACTOR

0.60323

PURE32

OMGRKS 1 OMEGA FOR REDLICH-KWONG-SOAVE

EOS

0.60323

DEFAULT

PC

1 CRITICAL PRESSURE

37.401

BAR

PURE32

PCRKS

1 PC FOR REDLICH-KWONG-SOAVE EOS

37.401

BAR

DEFAULT

RHOM

1 MASS DENSITY

0.0000

GM/CC

DEFAULT

RKSCMP 1 COMPOSITION INDEPENDENT FUGACITY

FLAG FOR REDLICH-KWONG-SOAVE

0.0000

DEFAULT

RKSPOL 1

0.0000

DEFAULT

RKSWF

0.0000

DEFAULT

RKSZRA 1 RACKETT PARAMETER FOR RKS EOS

0.26697

DEFAULT

RKTZRA 1 RACKETT PARAMETER

0.26697

PURE32

1 REDLICH-KWONG-SOAVE
KABADI-DANNER GROUP FACTOR

S025E

1 SUM OF ELEMENT ENTROPIES

AT 25 C

0.0000

CAL/MOL-K

DEFAULT

SG

1 STANDARD SPECIFIC GRAVITY

AT 60 F

1.0298

TB

1 NORMAL BOILING POINT

154.50

PURE32

TC

1 CRITICAL TEMPERATURE

333.80

PURE32

TCRKS

1 TC FOR REDLICH-KWONG-SOAVE EOS

333.80

DEFAULT

PURE32

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 5

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
PARAM SET DESCRIPTIONS
NAME NO.

VALUE

UNITS

SOURCE

TPT

1 TRIPLE POINT TEMPERATURE

-26.000

PURE32

TREFHS 1 REFERENCE TEMPERATURE FOR SOLID

REFERENCE STATE

25.000

DEFAULT

VB

1 LIQUID MOLAR VOLUME AT TB

135.18

CC/MOL

PURE32

VC

1 CRITICAL VOLUME

354.00

CC/MOL

PURE32

VCRKT

1 VC FOR RACKETT MODEL

354.00

CC/MOL

DEFAULT

VLSTD

1 API STANDARD LIQUID MOLAR VOLUME

AT 60 F

115.00

CC/MOL

PURE32

ZC

1 CRITICAL COMPRESSIBILITY FACTOR

0.26200

PURE32

0.0000

DEFAULT

ZWITTER 1 ZWITTERIONS IDENTIFIER

TEMPERATURE DEPENDENT PARAMETERS
-------------------------------CPIGDP

DIPPR ideal gas heat capacity

CPIGDP = A + B(C/T/SINH(C/T))^2 + D(E/T/COSH(E/T))^2
TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE

CPSDIP

PROP UNITS: CAL/MOL-K

SOURCE: PURE32
=
=
=
=
=
=

26.2253
71.8687
1767.20
56.2649
763.890
298.15

TO

1500.00 K

DIPPR solid heat capacity

CPSDIP = A + BT + CT^2 + DT^3 + ET^4
TEMP UNITS: C

PROP UNITS: CAL/MOL-K

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 6

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
SET: 1
A
B
C
D
E
T RANGE
DHVLDP

SOURCE: PURE32
=
=
=
=
=
=

49.6998
0.146179
-0.103478E-03
0.00000
0.00000
-223.15
TO

-26.00 C

DIPPR heat of vaporization

DHVLDP = A(1 - Tr)^(B + CTr+ DTr^2 + ETr^3) where Tr = T/Tc
TEMP UNITS: C
SET: 1
A
B
C
D
E
T RANGE

DNLDIP

PROP UNITS: CAL/MOL

SOURCE: PURE32
=
=
=
=
=
=

16779.6
0.723040
-0.715330
0.357540
0.00000
-26.00

TO

333.80 C

DIPPR liquid density

DNLDIP = A/(B^(1 + (1 - T/C)^D))
TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE

DNSDIP

PROP UNITS: MOL/CC

SOURCE: PURE32
=
=
=
=
=
=

0.722160E-03
0.255650
606.950
0.285710
0.00000
247.15
TO

606.95 K

DIPPR solid density

DNSDIP = A + BT + CT^2 + DT^3 + ET^4
TEMP UNITS: C

PROP UNITS: MOL/CC

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 7

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
SET: 1
A
B
C
D
E
T RANGE
KLDIP

SOURCE: PURE32
=
=
=
=
=
=

0.100880E-01
-0.591990E-05
0.00000
0.00000
0.00000
-174.29
TO

DIPPR liquid thermal conductivity

KLDIP

= A + BT + CT^2 + DT^3 + ET^4

TEMP UNITS: C
SET: 1
A
B
C
D
E
T RANGE
KVDIP

PROP UNITS: KCAL-M/HR-SQM-K

SOURCE: PURE32
=
=
=
=
=
=

0.174519
-0.307248E-03
0.00000
0.00000
0.00000
-26.00
TO

154.50 C

DIPPR vapor thermal conductivity

KVDIP

= AT^B/(1 + C/T + D/T^2)

TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE
MULDIP

-26.00 C

PROP UNITS: KCAL-M/HR-SQM-K

SOURCE: PURE32
=
=
=
=
=
=

0.206784E-05
1.49140
0.00000
0.00000
0.00000
427.65
TO

1000.00 K

DIPPR liquid viscosity

LN(MULDIP ) = A + B/T + C LN(T) + DT^E
TEMP UNITS: K

PROP UNITS: CP

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 8

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
SET: 1
A
B
C
D
E
T RANGE
MUVDIP

SOURCE: PURE32
=
=
=
=
=
=

-66.6912
5047.90
8.88530
0.00000
0.00000
247.15

TO

427.65 K

DIPPR vapor viscosity

MUVDIP = AT^B/(1 + C/T + D/T^2)
TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE

PLXANT

PROP UNITS: CP

SOURCE: PURE32
=
=
=
=
=
=

0.359660E-01
0.114440
2763.10
0.00000
0.00000
247.15
TO

1000.00 K

EXTENDED ANTOINE VAPOR PRESSURE

LN(PL) = A + B/(T + C) + DT + E LN(T) + FT^G
TEMP UNITS: K
SET: 1
A
B
C
D
E
F
G
T RANGE

SIGDIP

PROP UNITS: BAR

SOURCE: PURE32
=
=
=
=
=
=
=
=

61.1561
-8249.70
0.00000
0.00000
-6.91580
0.755200E-17
6.00000
247.15
TO

606.95 K

DIPPR liquid surface tension

SIGDIP = A(1 - Tr)^(B + CTr+ DTr^2 + ETr^3) where Tr = T/Tc
TEMP UNITS: C

PROP UNITS: DYNE/CM

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 9

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
SET: 1
A
B
C
D
E
T RANGE
VLBROC

SOURCE: PURE32
=
=
=
=
=
=

62.4130
1.15300
0.00000
0.00000
0.00000
-26.00

333.80 C

BRELVI-O-CONNELL
VOLUME PARAMETER
TEMP UNITS: C
SET: 1
A
B

WATSOL

TO

PROP UNITS: CC/MOL

SOURCE: DEFAULT
=
=

354.000
0.00000

WATER SOLUBILITY
LN(XWSOL) = A + B/T + CT
SET: 1
A
B
C
T RANGE

SOURCE: DEFAULT
=
=
=
=

1.99503
-2324.11
0.00000
0.00

TO

VECTOR PARAMETERS
----------------ATOMNO

ATOMIC NUMBER OF ALL ELEMENTS

SET: 1
A
B
C

NOATOM

SOURCE: PURE32
=
=
=

NUMBER OF OCCURENCES FOR

EACH TYPE OF ELEMENT
SET: 1
A
B
C

UFGRP

6.00000
1.00000
8.00000

SOURCE: PURE32
=
=
=

5.00000
10.0000
3.00000

UNIFAC GROUP COUNT

862.37

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
SET: 1

SOURCE: PURE32

GROUP NUMBER
1005.00
1010.00
1015.00
1200.00
3300.00
UFGRPD

1.00000
1.00000
2.00000
1.00000
1.00000

DORTMUND-UNIFAC GROUP COUNT

SET: 1

SOURCE: PURE32

GROUP NUMBER
1005.00
1010.00
1015.00
1210.00
3300.00
UFGRPL

NUMBER OF OCCURENCES

NUMBER OF OCCURENCES
1.00000
1.00000
2.00000
1.00000
1.00000

LYNGBY-UNIFAC GROUP COUNT

SET: 1

SOURCE: PURE32

GROUP NUMBER
1010.00
1015.00
1200.00
1500.00

NUMBER OF OCCURENCES
1.00000
2.00000
1.00000
1.00000

04/07/2016 PAGE 10

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 11

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
PURE COMPONENT PARAMETERS
------------------------COMPONENT ID: LACTI-01
FORMULA: C3H6O3-D1

NAME: C3H6O3-D1

SCALAR PARAMETERS
----------------PARAM SET DESCRIPTIONS
NAME NO.

VALUE

API

-15.894

PURE32

CHARGE 1 IONIC CHARGE

0.0000

AQUEOUS

CHI

0.0000

DEFAULT

CMPCLASS1 COMPONENT CLASS INDEX

450.00

DEFAULT

DCPLS

19.231

1 STANDARD API GRAVITY

1 STIEL POLAR FACTOR

1 DIFFERENCE BETWEEN LIQUID AND

SOLID CP AT TRIPLE POINT

DGFORM 1 IDEAL GAS GIBBS ENERGY

OF FORMATION

UNITS

CAL/MOL-K

-0.11847E+06 CAL/MOL

SOURCE

PURE32
PURE32

DGSFRM 1 SOLID GIBBS ENERGY OF FORMATION

0.0000

CAL/MOL

DEFAULT

DHAQFM 1 AQUEOUS INFINITE DILUTION

ENTHALPY OF FORMATION

0.0000

CAL/MOL

DEFAULT

DHFORM 1 IDEAL GAS ENTHALPY OF FORMATION

-0.14321E+06 CAL/MOL

PURE32

DHSFRM 1 SOLID ENTHALPY OF FORMATION

0.0000

CAL/MOL

DEFAULT

DHVLB

1 ENTHALPY OF VAPORIZATION AT TB

14904.

CAL/MOL

PURE32

DLWC

1 WILKE-CHANG
DIFFUSING-COMPONENT FLAG

1.0000

DEFAULT

DVBLNC 1 CHAPMAN-ENSKOG-WILKE-LEE
DIFFUSING COMPONENT FLAG

1.0000

DEFAULT

FREEZEPT1

16.750

HCOM

1 STANDARD ENTHALPY OF COMBUSTION

AT 25 C

HCTYPE 1 HYDROCARBON COMP CLASS INDEX

-0.29330E+06 CAL/MOL
0.0000

PURE32
PURE32
DEFAULT

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 12

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
PARAM SET DESCRIPTIONS
NAME NO.

VALUE

UNITS

SOURCE

HFUS

1 HEAT OF FUSION

2708.5

CAL/MOL

PURE32

MUP

1 DIPOLE MOMENT

3.2677

DEBYE

PURE32

MW

1 MOLECULAR WEIGHT

90.079

PURE32

OMEGA

1 PITZER ACENTRIC FACTOR

1.0221

PURE32

OMGRKS 1 OMEGA FOR REDLICH-KWONG-SOAVE

EOS

1.0221

DEFAULT

PC

1 CRITICAL PRESSURE

59.600

BAR

PURE32

PCRKS

1 PC FOR REDLICH-KWONG-SOAVE EOS

59.600

BAR

DEFAULT

RHOM

1 MASS DENSITY

0.0000

GM/CC

DEFAULT

RKSCMP 1 COMPOSITION INDEPENDENT FUGACITY

FLAG FOR REDLICH-KWONG-SOAVE

0.0000

DEFAULT

RKSPOL 1

0.0000

DEFAULT

RKSWF

0.0000

DEFAULT

RKSZRA 1 RACKETT PARAMETER FOR RKS EOS

0.25143

DEFAULT

RKTZRA 1 RACKETT PARAMETER

0.25143

PURE32

1 REDLICH-KWONG-SOAVE
KABADI-DANNER GROUP FACTOR

S025E

1 SUM OF ELEMENT ENTROPIES

AT 25 C

171.25

CAL/MOL-K

AQUEOUS

SG

1 STANDARD SPECIFIC GRAVITY

AT 60 F

1.2240

TB

1 NORMAL BOILING POINT

216.85

PURE32

TC

1 CRITICAL TEMPERATURE

401.85

PURE32

TCRKS

1 TC FOR REDLICH-KWONG-SOAVE EOS

401.85

DEFAULT

TPT

1 TRIPLE POINT TEMPERATURE

16.750

PURE32

TREFHS 1 REFERENCE TEMPERATURE FOR SOLID

REFERENCE STATE

25.000

DEFAULT

PURE32

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 13

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
PARAM SET DESCRIPTIONS
NAME NO.

VALUE

UNITS

SOURCE

VB

1 LIQUID MOLAR VOLUME AT TB

88.975

CC/MOL

PURE32

VC

1 CRITICAL VOLUME

251.00

CC/MOL

PURE32

VCRKT

1 VC FOR RACKETT MODEL

251.00

CC/MOL

DEFAULT

VLSTD

1 API STANDARD LIQUID MOLAR VOLUME

AT 60 F

73.780

CC/MOL

PURE32

ZC

1 CRITICAL COMPRESSIBILITY FACTOR

0.26700

PURE32

0.0000

DEFAULT

ZWITTER 1 ZWITTERIONS IDENTIFIER

TEMPERATURE DEPENDENT PARAMETERS
-------------------------------CPIGDP

DIPPR ideal gas heat capacity

CPIGDP = A + B(C/T/SINH(C/T))^2 + D(E/T/COSH(E/T))^2
TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE

CPSDIP

PROP UNITS: CAL/MOL-K

SOURCE: PURE32
=
=
=
=
=
=

18.7566
42.9923
1535.00
30.6535
700.300
300.00

TO

1500.00 K

DIPPR solid heat capacity

CPSDIP = A + BT + CT^2 + DT^3 + ET^4
TEMP UNITS: C
SET: 1
A
B
C
D
E
T RANGE

PROP UNITS: CAL/MOL-K

SOURCE: PURE32
=
=
=
=
=
=

28.8061
0.841932E-01
0.00000
0.00000
0.00000
-183.15
TO

18.00 C

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 14

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
DHVLDP

DIPPR heat of vaporization

DHVLDP = A(1 - Tr)^(B + CTr+ DTr^2 + ETr^3) where Tr = T/Tc
TEMP UNITS: C
SET: 1
A
B
C
D
E
T RANGE

DNLDIP

PROP UNITS: CAL/MOL

SOURCE: PURE32
=
=
=
=
=
=

54800.8
2.76300
-3.02990
0.839650
0.00000
16.75

TO

401.85 C

DIPPR liquid density

DNLDIP = A/(B^(1 + (1 - T/C)^D))
TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE

DNSDIP

PROP UNITS: MOL/CC

SOURCE: PURE32
=
=
=
=
=
=

0.979800E-03
0.245930
675.000
0.233300
0.00000
289.90
TO

675.00 K

DIPPR solid density

DNSDIP = A + BT + CT^2 + DT^3 + ET^4
TEMP UNITS: C
SET: 1
A
B
C
D
E
T RANGE

PROP UNITS: MOL/CC

SOURCE: PURE32
=
=
=
=
=
=

0.154010E-01
-0.752710E-05
0.00000
0.00000
0.00000
-157.19
TO

16.75 C

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 15

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
KLDIP

DIPPR liquid thermal conductivity

KLDIP

= A + BT + CT^2 + DT^3 + ET^4

TEMP UNITS: C
SET: 1
A
B
C
D
E
T RANGE
KVDIP

PROP UNITS: KCAL-M/HR-SQM-K

SOURCE: PURE32
=
=
=
=
=
=

0.212556
-0.318874E-03
0.00000
0.00000
0.00000
16.75
TO

DIPPR vapor thermal conductivity

KVDIP

= AT^B/(1 + C/T + D/T^2)

TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE
MULDIP

216.85 C

PROP UNITS: KCAL-M/HR-SQM-K

SOURCE: PURE32
=
=
=
=
=
=

0.283577E-03
0.852100
749.200
0.00000
0.00000
490.00
TO

1000.00 K

DIPPR liquid viscosity

LN(MULDIP ) = A + B/T + C LN(T) + DT^E
TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE

PROP UNITS: CP

SOURCE: PURE32
=
=
=
=
=
=

-7.49524
4097.90
-0.440700
0.00000
0.00000
289.90

TO

490.00 K

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 16

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
MUVDIP

DIPPR vapor viscosity

MUVDIP = AT^B/(1 + C/T + D/T^2)
TEMP UNITS: K
SET: 1
A
B
C
D
E
T RANGE

PLXANT

PROP UNITS: CP

SOURCE: PURE32
=
=
=
=
=
=

0.825800E-04
0.833400
82.8000
0.00000
0.00000
289.90
TO

1000.00 K

EXTENDED ANTOINE VAPOR PRESSURE

LN(PL) = A + B/(T + C) + DT + E LN(T) + FT^G
TEMP UNITS: K
SET: 1
A
B
C
D
E
F
G
T RANGE

RKSMCP

SOURCE: PURE32
=
=
=
=
=
=
=
=

213.677
-18757.0
0.00000
0.00000
-28.8160
0.129980E-04
2.00000
289.90
TO

MATHIAS-COPEMAN ALPHA FOR

REDLICH-KWONG-SOAVE EOS
SET: 1
A
B
C

RKSSRP

PROP UNITS: BAR

SOURCE: PURE32
=
=
=

2.07430
-0.917594
0.137519

SCHWARTZENTRUBER-RENON ALPHA FOR

REDLICH-KWONG-SOAVE EOS
SET: 1
A
B
C

SOURCE: PURE32
=
=
=

0.245071
-0.445902
0.115162

675.00 K

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 17

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
SIGDIP

DIPPR liquid surface tension

SIGDIP = A(1 - Tr)^(B + CTr+ DTr^2 + ETr^3) where Tr = T/Tc
TEMP UNITS: C
SET: 1
A
B
C
D
E
T RANGE

VLBROC

PROP UNITS: DYNE/CM

SOURCE: PURE32
=
=
=
=
=
=

76.9700
1.06110
0.00000
0.00000
0.00000
16.75

401.85 C

BRELVI-O-CONNELL
VOLUME PARAMETER
TEMP UNITS: C
SET: 1
A
B

WATSOL

TO

PROP UNITS: CC/MOL

SOURCE: DEFAULT
=
=

251.000
0.00000

WATER SOLUBILITY
LN(XWSOL) = A + B/T + CT
SET: 1
A
B
C
T RANGE

SOURCE: DEFAULT
=
=
=
=

1.68539
-2161.19
0.00000
0.00

TO

VECTOR PARAMETERS
----------------ATOMNO

ATOMIC NUMBER OF ALL ELEMENTS

SET: 1
A
B
C

NOATOM

SOURCE: PURE32
=
=
=

6.00000
1.00000
8.00000

NUMBER OF OCCURENCES FOR

EACH TYPE OF ELEMENT
SET: 1

SOURCE: PURE32

906.01

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
A
B
C
UFGRP

=
=
=

3.00000
6.00000
3.00000

UNIFAC GROUP COUNT

SET: 1

SOURCE: PURE32

GROUP NUMBER

NUMBER OF OCCURENCES

1005.00
1015.00
1200.00
1955.00
UFGRPD

1.00000
1.00000
1.00000
1.00000

DORTMUND-UNIFAC GROUP COUNT

SET: 1

SOURCE: PURE32

GROUP NUMBER

NUMBER OF OCCURENCES

1005.00
1015.00
1210.00
1955.00
UFGRPL

1.00000
1.00000
1.00000
1.00000

LYNGBY-UNIFAC GROUP COUNT

SET: 1

SOURCE: PURE32

GROUP NUMBER

NUMBER OF OCCURENCES

1005.00
1015.00
1200.00
1955.00

1.00000
1.00000
1.00000
1.00000

BINARY PARAMETERS
----------------GROUP PARAMETERS
---------------GROUP NUMBER:
GMUFDQ

1005
DORTMUND-UNIFAC GROUP
AREA PARAMETER
SET: 1
A

SOURCE: DEFAULT
=

0.355400

04/07/2016 PAGE 18

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
GMUFDR

DORTMUND-UNIFAC GROUP
VOLUME PARAMETER
SET: 1
A

GROUP NUMBER:

SOURCE: DEFAULT
=

1010

GMUFDQ

DORTMUND-UNIFAC GROUP
AREA PARAMETER
SET: 1
A

GMUFDR

SOURCE: DEFAULT
=

A
GROUP NUMBER:

SOURCE: DEFAULT
=

0.632500

1015

GMUFDQ

DORTMUND-UNIFAC GROUP
AREA PARAMETER
SET: 1
A

GMUFDR

SOURCE: DEFAULT
=

1.06080

DORTMUND-UNIFAC GROUP
VOLUME PARAMETER
SET: 1
A

GROUP NUMBER:

SOURCE: DEFAULT
=

0.632500

1210
DORTMUND-UNIFAC GROUP
AREA PARAMETER
SET: 1
A

GMUFDR

0.708100

DORTMUND-UNIFAC GROUP
VOLUME PARAMETER
SET: 1

GMUFDQ

0.632500

SOURCE: DEFAULT
=

0.866300

DORTMUND-UNIFAC GROUP
VOLUME PARAMETER
SET: 1
A

SOURCE: DEFAULT
=

1.06300

04/07/2016 PAGE 19

GROUP NUMBER:

3300

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 20

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
GMUFDQ

DORTMUND-UNIFAC GROUP
AREA PARAMETER
SET: 1
A

SOURCE: DEFAULT

GMUFDR

DORTMUND-UNIFAC GROUP
VOLUME PARAMETER
SET: 1

SOURCE: DEFAULT

GROUP NUMBER:
GMUFDQ

1.60000

1955
DORTMUND-UNIFAC GROUP
AREA PARAMETER
SET: 1

SOURCE: DEFAULT

A
GMUFDR

0.900000

0.921500

DORTMUND-UNIFAC GROUP
VOLUME PARAMETER
SET: 1
A

SOURCE: DEFAULT
=

0.800000

GROUP BINARY PARAMETERS

----------------------UNIFDM

DORTMUND-UNIFAC GROUP
BINARY PARAMETERS
AMN = A + BT + CT^2
UNITS: K

SET: 1
COMP I

COMP J

VALUE I-J

VALUE J-I

1005

1210 Aij
Bij
Cij
SOURCE

= 2777.00
= -4.67400
= 0.155100E-02
= DEFAULT

Aji
Bji
Cji

= 1606.00
= -4.74600
= 0.918100E-03

1005

3300 Aij
Bij
Cij
SOURCE

= 1312.00
= -3.64300
= 0.00000
= DEFAULT

Aji
Bji
Cji

= -314.600
= 1.28700
= 0.00000

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 21

PHYSICAL PROPERTIES SECTION

PROPERTY PARAMETERS (CONTINUED)
1005

1955 Aij
Bij
Cij
SOURCE

= 1182.20
= -3.26470
= 0.919800E-02
= DEFAULT

Aji
Bji
Cji

= 2017.70
= -9.09330
= 0.102380E-01

1010

1210 Aij
Bij
Cij
SOURCE

= 2777.00
= -4.67400
= 0.155100E-02
= DEFAULT

Aji
Bji
Cji

= 1606.00
= -4.74600
= 0.918100E-03

1010

3300 Aij
Bij
Cij
SOURCE

= 1312.00
= -3.64300
= 0.00000
= DEFAULT

Aji
Bji
Cji

= -314.600
= 1.28700
= 0.00000

1010

1955 Aij
Bij
Cij
SOURCE

= 1182.20
= -3.26470
= 0.919800E-02
= DEFAULT

Aji
Bji
Cji

= 2017.70
= -9.09330
= 0.102380E-01

1015

1210 Aij
Bij
Cij
SOURCE

= 2777.00
= -4.67400
= 0.155100E-02
= DEFAULT

Aji
Bji
Cji

= 1606.00
= -4.74600
= 0.918100E-03

1015

3300 Aij
Bij
Cij
SOURCE

= 1312.00
= -3.64300
= 0.00000
= DEFAULT

Aji
Bji
Cji

= -314.600
= 1.28700
= 0.00000

1015

1955 Aij
Bij
Cij
SOURCE

= 1182.20
= -3.26470
= 0.919800E-02
= DEFAULT

Aji
Bji
Cji

= 2017.70
= -9.09330
= 0.102380E-01

1210

3300 Aij
Bij
Cij
SOURCE

= 403.800
= -0.934600
= 0.00000
= DEFAULT

Aji
Bji
Cji

= 703.400
= -1.38300
= 0.00000

1210

1955 Aij
Bij
Cij
SOURCE

= -1295.00
= 4.36340
= 0.00000
= DEFAULT

Aji
Bji
Cji

= 1525.80
= -4.91550
= 0.00000

ASPEN PLUS

PLAT: WINDOWS

VER: 32.0

04/07/2016 PAGE 22

PROBLEM STATUS SECTION

BLOCK STATUS
-----------****************************************************************************
*
*
* Calculations were completed normally
*
*
*
****************************************************************************