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1.

0 INTRODUCTION
Acetone (dimethyl ketone, 2-propane, CH3COCH3), formulation weight 58,079 is the simplest
and the most important and the simplest of the ketone groups. It is a colourless, mobile,
flammable liquid and highly aromatic odour. (1) It is also a key intermediate in the
manufacture of some polymers.

Figure 1. Structure of acetone

Acetone is important in the manufacture of artificial fibers, explosives, and polycarbonate


resins. Because of its importance as a solvent and as a starting material for so many
chemical processes, acetone is produced in great quantities. Today, acetone is available at
low cost and high purity to laboratories, so it is rarely synthesized outside of industry. (2)
There is about 7% increment in the requirement of the acetone worldwide. With this
increasing demand the requirement of the acetone in some upcoming years is;

Table 1. Project demand of years (3)


YEAR PROJECT DEMAND (MILLION TONNES)
2010 6.7
2011 7.2
2012 7.9
2013 8.4
2014 9.0
2015 9.63
2016 10.3
2017 11.02

Moreover, acetone is used in several areas. About a third of the world's acetone is used as a
solvent, and a quarter is consumed as acetone cyanohydrin, a precursor to methyl
methacrylate. (4)
Solvent
Acetone is a good solvent for many plastics and some synthetic fibers. Acetone is used as a
solvent by the pharmaceutical industry and as a denaturant in denatured alcohol. Although

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itself flammable, acetone is used extensively as a solvent for the safe transportation and
storage of acetylene, which cannot be safely pressurized as a pure compound.

Chemical intermediate
Acetone is used to synthesize methyl methacrylate.
Laboratory
Acetone is used as a polar, aprotic solvent in a variety of organic reactions, such as SN2
reactions.
Medical and cosmetic uses
Acetone is commonly used in chemical peeling.

Furthermore, acetone is produced a lot of ways. These are:

1. The Cumene Hydro peroxide Process for Phenol and Acetone

2. Isopropyl Alcohol (IPA) Dehydrogenation

3. Direct Oxidation of Hydrocarbons to a Number of Oxygenated Products Including


Acetone

4. Catalytic Oxidation of Isopropyl Alcohol

5. Acetone as a By-Product of the Propylene Oxide Process Used by Oxirane

6. The p-Cymene Hydro peroxide Process for p Cresol and Acetone

7. The Diisopropylbenzene Process for Hydroquinone (or Resorcinol) and Acetone

Acetone production from cumene and IPA are the most common manufacturing ways. In this
design project, Isopropyl Alcohol Dehydrogenation method is selected.

Isopropyl Alcohol Acetone Hydrogen

In this process, an aqueous solution of pure isopropyl alcohol is fed to the reactor, where the
stream is vaporized and reacted over a solid catalyst. The reactions occurring within the
reactor are as follows: (1)

(main reaction)

Isopropyl alcohol Acetone Hydrogen

(side reaction)

Isopropyl alcohol Di-isopropyl ether Water

(side reaction)

Isopropyl alcohol Propylene Water

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Isothermal operation will be carried out at 235C and the reaction occurs in the gase phase
with a pressure of 2.2 bar in a Packed Bed Reactor (PBR). Reaction is endothermic, and the
reactor is heated by molten salt. The catalyst used is ZnO/ZrO and the reaction is first order
with respect to the concentration of isopropanol in this project.

Advantages of Isopropyl Alcohol Dehydrogenation

Acetone is the primary product


Purity is high
Aqueous solution of the isopropyl alcohol can be used
Conversion to acetone is high
Not a dangerous compound present along with acetone
Less separation process required and production cost is low (3)

Disadvantages of Isopropyl Alcohol Dehydrogenation

The flammability of IPA presents safety issues.


A poor cleaner for removing non-polar oil and grease.
IPA is hygroscopic means that substances have the ability to absorb moisture (water)
from the air.
IPA has its tendency to absorb atmospheric moisture which dilutes the cleaning
power of the solvent and can lead to corrosion. (3)

Table 2. Properties of raw materials and product (3)


Properties Water Acetone Isopropyl Hydrogen
alcohol
Molecular Weight 18 58 60 2
(kg/kmol)
Freezing Point (C) 0 -95 -88.5 - 259.2

Boling Point (C) 100 56.2 82.2 -252.8

Critical Temperature 647.3 508.1 508.3 33.2


(C)
Critical Pressure (bar) 220.5 47 47.6 13
Critical Volume 0.056 0.209 0.220 0.065
(m3/min)
Liquid Density (kg/m3) 998 790 786 71
Heat of Vaporization 40683 29140 39858 904
(J/mol)
Standard Enthalpy of -242.0 20.43 -272.60 0
Formation
at 298K (kJ/kmol)

Properties of raw materials and product are shown in Table 2.

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Packed Bed Reactor is used for production of acetone. PBRs are tubular reactors filled with
catalyst particles. PBR design equation is following:

Where;
Entering molar flow of species A
Weight of catalyst
Conversion of key reactant, A
Rate of disappearance of species A per mass of catalyst

Table 3. Advantages and Disadvantages of PBR


Advantages Disadvantages
High conversion per unit mass of catalyst Poor temperature control
Continuous operation Undesired thermal gradients may exist
Low operating cost Unit may be difficult to service and clean
Channeling may occur

Sustainability
Sustainability in acetone is about delivering energy in a responsible way to meet the worlds
growing needs. Three basic cases are significant for acetone:

Running a safe, efficient, responsible and profitable process


Supplying wider benefits
Helping to shape a more sustainable energy future
Safety
Flammability
The most hazardous property of acetone is its unusual flammability.

Acetone peroxide
When oxidized, acetone forms acetone peroxide as a byproduct, which is a highly unstable,
primary high explosive compound. (5)
Health information
Acetone is generally recognized to have low acute and chronic toxicity if ingested and/or
inhaled.
Toxicology

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Health Effect of Acetone
Acetone has been studied extensively and is generally accepted to have low acute and
chronic toxicity if ingested and/or inhaled. Acetone is not currently regarded as a carcinogen,
a mutagenic chemical or a concern for chronic neurotoxicity effects.

Absorption/Metabolism
Acetone is quickly absorbed by ingestion, inhalation, and dermal exposure. In two
experiments with humans, inhalation absorption was in the 70 to 80 percent range.
Short-Term (acute)
Mild nervous system effects such as eye and respiratory irritation, mood swings, and nausea
that abated soon after exposure ended were seen in humans breathing high concentrations
of acetone. Accidental poisonings report similar nervous system effects of sluggishness and
drowsiness that were not long lasting. (6)

Carcinogenic (cancer producing)

The one study conducted to investigate potential carcinogenic effects from workers exposed
by inhalation to acetone did not find any excess cancer incidence.

Waste Disposal
In this project, water is thrown away.The temperature of water is very high, cooler can be
used to cooling water. In recent years, many legal restrictions have been placed on the
methods for disposing of waste materials from the process industries. The site selected for a
plant should have adequate capacity and facilities for correct waste disposal. Even though a
given area has minimal restrictions on pollution, it should not be assumed that this condition
will continue to exist. In choosing a plant site, the permissible tolerance levels for various
methods of waste disposal should be considered carefully, and attention should be given to
potential requirements for additional waste-treatment facilities. (3)

Ethics
The process has low toxicity to environment and human health. Occurred waste can be
recovered and removed.

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Figure 2. Flowchart of acetone process with PBR

In Figure 2., the reaction occurring in the reactor is in vapour phase. Therefore, the IPA
should be first vaporized and then passed from the reactor. The process is continuous. Since
the dehydrogenation of the IPA is the endothermic reaction, so heat has to be supplied to the
reactor. For heating purpose the molten salt can be used. (7)

The process starts with feed drum. Feed drum is a kind of tank used for the mixing of the
recycle stream and feed stream. In the vaporizer molten salt is used for heating. However,
the temperature leaving the vaporizer is not enough for the reaction to carry out. Therefore,
heater is used in this step to reach maintained temperature for reactor. In reactor works
isothermally so it needs heat. Then, leaving stream is gone out to cooler. In there,
temperature is decreasing 100C approximately. Acetone distillation column is reached by
following other equipments in the flowchart. The acetone column is used to separate the
acetone from the mixture. Top product of the unit includes acetone (99wt% of acetone which
is desired). The capacity of acetone production is 15000 tons/year.

In conclusion, Packed Bed Reactor is given in this project. The reactor works isothermally in
an endothermic reaction. Operating conditions of reactor is that 235C as temperature and
2.2 bar as pressure. In addition, although, cooler works isobarically, pressure is 1.5 bar in
here. In acetone distillation column, entrance of temperature is 45C. In approximate 100C,
acetone, that its purity is 99%, is obtained as top product. (8)

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2.0 RESULT

Table 4.Optimum Conversions and Reactor Length for Each Tasks

Task Number Optimum Conversion Reactor Length(m)


2 0.7998362 3.18
3 0.7998276 3.05
4 0.7993745 2.06

1
0.9
0.8
0.7
Conversion

0.6
0.5
0.4
0.3
0.2
0.1
0
0 1 2 3 4 5 6 7 8 9 10
Length,m

Figure 3.Relation between conversion and length in task two

1
0.9
0.8
0.7
Conversion

0.6
0.5
0.4
0.3
0.2
0.1
0
0 1 2 3 4 5 6 7 8 9 10
Length,m

Figure 4.Relation between conversion and length in task three

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1
0.9
0.8
0.7
Conversion

0.6
0.5
0.4
0.3
0.2
0.1
0
0 1 2 3 4 5 6 7 8 9 10
Lenght,m

Figure 5.Relation between conversion and length in task four

Table 5.Optimum Conversions and Reactor Volume for Each Tasks

Task Number Optimum Conversion Reactor Volume(m3)


2 0.7998362 1.208
3 0.7998276 1.159
4 0.7993745 0.7828

1
0.9
0.8
0.7
Conversion

0.6
0.5
0.4
0.3
0.2
0.1
0
0 0.5 1 1.5 2 2.5 3 3.5 4
Volume of Reactor,(m3)

Figure 6.Relation between conversion and reactor volume in task two

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1
0.9
0.8
0.7
Conversion

0.6
0.5
0.4
0.3
0.2
0.1
0
0 0.5 1 1.5 2 2.5 3 3.5 4
Reactor volume (m3)

Figure 7.Relation between conversion and reactor volume in task three

1
0.9
0.8
0.7
Conversion

0.6
0.5
0.4
0.3
0.2
0.1
0
0 0.5 1 1.5 2 2.5 3 3.5 4
Reactor Volume (m3)

Figure 8.Relation between conversion and reactor volume in task four

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1
0.9
0.8
0.7
Conversion

0.6
0.5
0.4
0.3
0.2
0.1
0
2.20E+05 2.20E+05 2.20E+05 2.20E+05 2.20E+05 2.20E+05 2.20E+05
Pressure(Pa)

Figure 9.Relation between conversion and pressure in task two

1
0.9
0.8
0.7
Conversion

0.6
0.5
0.4
0.3
0.2
0.1
0
2.20E+05 2.20E+05 2.20E+05 2.20E+05 2.20E+05
Pressure (Pa)

Figure 10.Relation between conversion and pressure in task three

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3.0 DISCUSSION
In this project a reactor designed for production of acetone using catalytic dehydrogenation
of isopropyl alcohol. Isothermal operation will be carried out at 235C and the reaction occurs
in the gase phase with a initial pressure of 2.2 bar in a Packed Bed Reactor (PBR). Pure IPA
is fed to the reactor. Reaction is endothermic, and the reactor is heated by molten salt.
Acetone is produced by the gas phase reaction dehydrogenation of isopropyl alcohol in the
presence of ZnO/ZrO (6% - 12% ZrO) as catalyst. The reaction represents as:

isopropyl alcohol acetone hydrogen

Five tasks are completed for a given feed conditions. In Task 1, equilibrium conversion is
determined. In Task 2, the reactor volume of the single PBR is optimized. In Task 3, the
optimum volume of the reactor is determined by using the Ergun equation. In Task 4, carbon
foot print is calculated and evaluated. Finally, in Task 5, all results and comparisons are
discussed.

Firstly, the change in the Gibbs Free Energy is calculated at 25 C and then equilibrium
constant is found according to Gibbs Free Energy formula at 25 C. Later, equilibrium
constant (Kc) is evaluated by Vant Hoff Equations at 427 C. The reaction took place at 427
C because at standard temperature, the reaction can not be observed. Initial concentration
of isopropyl alcohol is found from ideal gas equation. Depending on this, concentrations of
acetone and hydrogen are written. Equilibrium conversion is taken according to
concentration and equilibrium constant calculations. The most important point in Task 1 is,
although the reaction is irreversible, this is considered as reversible. This system is accepted
reversible to find the equilibrium conversion.

Secondly, eighty percent of the equilibrium conversion (Xeq) is considered optimum


conversion (Xopt), because the optimum conversion does not exceed eighty percent of the
equilibrium conversion at operating conditions. Model equations developed to describe
changes in total pressure and conversion through the reactor length. Polymath program is
used to solve the developed equations. Design equation and reaction rate equation are
written for Task 2. For the reaction rate equation, the equilibrium constant is calculated
according to the Arrhenius equation.
The ratio of the final pressure to the initial pressure is accepted as 0.95. Differential
equations are solved and then the length is read from the graph. At the end of the Task 2,
the optimum volume of the reactor is decided. The pressure drop in packed column is
calculated using the Ergun equation in Task 3. Given porosity (0.52) and catalyst density
(2500 kg/m3) values are used in Ergun equation. Initial and final length of the reactor and
initial conversion values are constituted in the program. Conversion versus length graph is
generated. The point corresponding to the optimum conversion is considered as the reactor
length. At normal condition; the pressure drop should be less than 5% , therefore, some
parameters are changed to provide this situation. This parameters are temperature,
diameters of reactor and particular. Diameter of particular range is given between 1 and 10
mm and maximum value of pressure drop is preferred for the project. Temperature is
decided 350 C as a result of the literature searches and diameter of reactor given 70 cm.(8)
The reactor volume is calculated according to the new length value. If the pressure drop is

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written with the Ergun equation, the length is reduced. However, the volume also decreases.
Accordingly, length in Task 3 is smaller than length in Task 2.

In Task 4, in series configuration, total volume of single reactor is equal to summation of


volume of sub-reactors. In parallel configuration, inital feed is divided into number of tubes
and total volume does not change. There is no difference in total reactor volume between
series or parallel operations. Moreover, it is often economically beneficial to operate
several PBRs in series or in parallel. If the production capacity is high, it is better to use
parallel PBRs. Hence, parallel PBRs are used in the system. Number of tubes is changed to
reach the appropriate reactor length. Trial-error done to find a low reactor length because as
the reactor size increases, the cost will increase. As a result of this, number of tubes and
reactor length are determined respectively 35 and 2.06 m. While diameter of tubes (dt) using,
volume of tubes is calculated. For multi-tube packed bed reactor, a shorter length is required.
Therefore; the temperature is reduced from 427 C to 347 C and given reactor diameter
increased from 50 cm to 70 cm.

The most important use of acetone is in cosmetics sector, medicine, food, environment etc.
As a result of these techniques, acetone is very consumed chemical in the world and it is
seen that it increased by 4.8% in 2014. (7) A packed bed reactor is designed for acetone
production. As a results, when pressure drop and conversion are considered, length of
reactor is available realistically. In conclusion, this process is found to be feasible.

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4.0 NOMENCLATURE

Fa : flow rate [kmol/s]

dt: diameter of tube [m]

dp : diameter of particle [m]

dR: diameter of reactor [m]

Kc : rate constant

K1: rate constant

K2: rate constant

: molecular Weight [kmol/kg]

Po : initial Pressure [Pa]

Pi: Partial Pressure [Pa]

To : initial Temperature [ oC]

L: lenght of reactor [m]

Xeq : equilibrium conversion

: density [kg/m3]

c : catalyst density [kg/m3]

: viscosity [kg/ m.s]

: porosity

Xopt : Optimum conversion

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5.0 REFERENCES
1. https://tr.scribd.com/doc/30429522/Acetone-Production-Process-From-Iso-propyl-Alcohol-
IPA. https://tr.scribd.com. [Online]

2. http://science.jrank.org/pages/24/Acetone.html. http://science.jrank.org. [Online]

3. http://www.academia.edu/24843591/Acetone_Reactor_Design_Complete_Project.
http://www.academia.edu. [Online]

4. https://en.wikipedia.org/wiki/Acetone#Uses. https://en.wikipedia.org. [Online]

5. https://en.wikipedia.org/wiki/Acetone#Safety. https://en.wikipedia.org. [Online]

6. Acetone: Health Information Summary . 2013.

7. Bra GdlL, Merve Karabacak, Bar Avc. ASETON RETM PROSES. Sivas : s.n.,
2015.

8. https://tr.scribd.com/document/87981824/Acetone-Production-Report. https://tr.scribd.com.
[Online]

9. http://wiredchemist.com/chemistry/data/entropies-organic. [Online]

10. http://chem.libretexts.org. [Online]

11.Aspen plus interface 2006.5

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6.0 APPENDIX
Data Given:

Isothermal Packed Bed Reactor

Data Value
Aceton Capacity 15000 tons/year
T 235 C
P 2.2 bar
0.52
Dr 50 cm
c 2500 kg/m3
dp 10 mm
Table 6.Given Data in Project

Capacity of Acetone

FB=15000 =9.96*10-3 kmol/s

Task 1: Determination of Equilibrium Conversion (Kc)

(CH3)2CHOH(g) (CH3)2CO(g)+H2(g)

A B C

G=-R*T*lnk

G=Gproduct-=Greactant

(G)A=-173.6 kJ/mol G=(-153.1)-(-173.6)=20.5 kJ/mol

(G)B=-153.1 kJ/mol G=20500J/mol

(G)C=0 kJ/mol

(at 25C)

(9)

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G=20500 =-(8.314 )*(25+273 K)*(lnk)

lnk=-8.274 k=2.55*10-4 at 25C equilibrium constant

(The Van't Hoff Equation)(10)

T2=700 K T1=298 K

R=8.314 J/molK

(H)A=-272.6 kJ/mol (H)B=-217.6 kJ/mol (9)

(H)=55000 J/mol

k2=Kc=87.74 equilibrium constant at 700 K

Task 2:Optimization of Reactor Volume of Single Packed Bed Reactor

CA0=

P0=2.2 bar T0=700 K R=0.082 dm3*atm/mol*K

=0.039 mol/dm3=0.039 kmol/m3

Kc=

87.74=

Xeq=0.9997952

Xop=0.8*Xeq=0.8*0.99839=0.7998362

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Packed Bed Reactor Design Equation:

W=FA0*

FA0* =-rA

-rA=k1*CA0*

[ ] =1.39

=0.52

Ac=pi*Dr2/4=pi*0.72/4=0.38 m2

k1=1.39

FA0=FB/x

CA0=0.039 kmol/m3

From graph L=3.18 is obtained.

Vreactor=Ac,reactor*L=1.208 m3

Check

= ( )

Pressure Drop= =-0.0011767 0.05

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TASK 3: Repeat Task 2 in the absance of Pressure drop

(CH3)2CHOH(g) (CH3)2CO(g)+H2(g)

A B C

= ( )

G=FA0*x*Mw/Ac =0.732/0.38=1.88 kgm2/s

Ac=pi*Dr2/4=pi*0.72/4=0.38 m2

at 700 K (11)

at 700 K (11)

dp=0.01 m

=0.52

L is read as 3.05 from graph.

Vreactor=Ac,reactor*L=1.159 m3

Pressure Drop= =-0.0011767 0.05

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TASK 4: Multitube Packed Bed Reactor

FAi

FA0

35 TUBES

T =620 K

FAi=FA0/35 flow rate in each tubes

FB= 0.00996 kmol/s aceton capacity

FA0=FB/Xopt

FAi=(0.00996/0.79)/35=3.602*10-4 kmol/s

dt=2 inch=0.0508 m

Total cross sectional area of tubes=Ac,t=n*pi*dt2/4=0.071 m2

L is read as 2.06 meter from graph.

Vtubes=Ac,tubes*L=0.146 m3

Vreactor=Ac,reactor*L=0.7828 m3

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TASK 1 and TASK 2
# ACETONE PRODUCTION FROM ISOPROPANOL DEHYDRATION
# TASK 1, TASK2

K1 = 0.000255 # at 25 C
T = 700 # K
KC = K1 * exp(55000 / 8.314 * (1 / 298 - 1 / T)) # equilibrium cnst at T #from van hoff equation
k1 = 351000 * exp(-72380 / (8.314 * T))
Ca0 = (2.2/1.013) / (0.082 / 1000 * T) / 1000 # kmol/m^3gas
conv = (KC/(KC + 0.95 * Ca0)) ^ (1 / 2) # equilibrium conversion
conV = 0.8 * conv # optimum conversion
FB = 0.00996 # aceton capacity (kmol/s)
FA0 = (FB/conV) # IPA flow
Fb = 0.5787 # aceton flow (kg/s)
Fac = Fb / conV
Ac = ((3.14) * (Dr) ^ 2) / 4 # m^2
Dr = 0.7 # m
d(X)/d(L) = (1 - fi) * Ac * (k1 / FA0) * (Ca0 * (1 - X) / (1 + X)) * (0.95)
fi = 0.52

# CHECK PRESSURE DROP WITH HELP OF ERGUN EQUATION

G = Fac / Ac # kg/m^2*s
d(P)/d(L) = -(G / (rho * dp) * (1 - fi / fi ^ 3) * ((150 * (1 - fi) * nu) / dp) + 1.75 * G) # Ergun equation
rho = 2.271655 # kg/m^3
nu = 0.00001815 # Pa*s
dp = 0.01 # particle diameter (m)
P(0) = 220000 # Pa
P0 = 220000 # Pa
L(0) = 0
L(f) = 10
X(0) = 0
Pdrop = (P0 - P) / P0 # must be less than 0.05
Vr = 3.14 * (Dr ^ 2) / 4 * L # m^3 optimum volume

TASK 3
# MONDAY B2 GROUP 1
# ACETONE PRODUCTION FROM ISOPROPANOL DEHYDRATION
# TASK 3

K1 = 0.000255 # at 25 C
T = 700 # K
KC = K1 * exp(55000 / 8.314 * (1 / 298 - 1 / T)) # equilibrium cnst at T
k1 = 351000 * exp(-72380 / (8.314 * T))
Ca0 = (2.2/1.013) / (0.082 / 1000 * T) / 1000 # kmol/m^3gas
conv = (KC/(KC + (P / P0) * Ca0)) ^ (1 / 2) # equilibrium conversion
conV = 0.8 * conv # optimum conversion
FB = 0.00996 # aceton capacity (kmol/s)
FA0 = (FB/conV) # IPA flow
Fb = 0.5787 # aceton flow (kg/s)
Fac = Fb / conV
Ac = ((3.14) * (Dr) ^ 2) / 4 # m^2
Dr = 0.7 # m
G = Fac / Ac # kg/m^2*s
d(P)/d(L) = -(G / (rho * dp) * (1 - fi / fi ^ 3) * ((150 * (1 - fi) * nu) / dp) + 1.75 * G)

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d(X)/d(L) = (1 - fi) * Ac * (k1 / FA0) * (Ca0 * (1 - X) / (1 + X)) * (P / P0)
rho = 2.271655 # kg/m^3
nu = 0.00001815 # Pa*s
dp = 0.01 # particle diameter (m)
fi = 0.52
P(0) = 220000 # Pa
P0 = 220000 # Pa
L(0) = 0
L(f) = 10
X(0) = 0
Pdrop = (P0 - P) / P0 # must be less than 0.05
Vr = 3.14 * (Dr ^ 2) / 4 * L # m^3 optimum volume

TASK 4

# MONDAY B2 GROUP 1
# ACETONE PRODUCTION FROM ISOPROPANOL DEHYDRATION
# TASK4:MULTITUBE PACKED BED REACTOR

K1 = 0.000255 # at 25 C
T = 620 # K
KC = K1 * exp(55000 / 8.314 * (1 / 298 - 1 / T)) # equilibrium cnst at T,Van Hoff Equation
k1 = 351000 * exp(-72380 / (8.314 * T))
Ca0 = (2.2/1.013) / (0.082 / 1000 * T) / 1000 # kmol/m^3gas
conv = (KC/(KC + 0.95 * Ca0)) ^ (1 / 2) # equilibrium conversion
conV = 0.8 * conv # optimum conversion
FB = 0.00996 # aceton capacity (kmol/s)
FAi = (FB/conV) / n # IPA flow for each tube
n = 35 # tube number
Fb = 0.5787 # aceton flow (kg/s)
Ac = n * (3.14 * (dt ^ 2) / 4) # tube cross sectional area m^2
Acr = (3.14 * (Dr ^ 2) / 4) # reactor cross sectional area m^2
dt = 0.0508 # m
Dr = 0.7 # m
G = Fac / Ac # kg/m^2*s
Fac = Fb / conV
d(P)/d(L) = -(G / (rho * dp) * (1 - fi / fi ^ 3) * ((150 * (1 - fi) * nu) / dp) + 1.75 * G) # Ergun equation
d(X)/d(L) = (1 - fi) * Ac * (k1 / FAi) * (Ca0 * (1 - X) / (1 + X)) * (P / P0)
rho = 2.564772 # kg/m^3
nu = 0.000016204 # Pa*s
dp = 0.01 # particle diameter (m)
fi = 0.52
P(0) = 220000 # Pa
P0 = 220000 # Pa
L(0) = 0
L(f) = 10
X(0) = 0
Pdrop = (P0 - P) / P0 # must be less than 0.05
Vt = n * (3.14 * (dt ^ 2) / 4 * L) # tube volume
Vr = 3.14 * (Dr ^ 2) / 4 * L # reactor volume

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