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Benzoic Acid Project C Corrected

The project focuses on designing a benzoic acid production process using toluene oxidation, targeting a production rate of 10,000 tons/year with 99.9% purity. The Aspen Plus simulation was employed to optimize the process, which includes the use of heuristics for separation and operating conditions, resulting in effective recycling and waste management. Key challenges addressed include distillation efficiency and the management of emissions and waste.

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0% found this document useful (0 votes)
5 views56 pages

Benzoic Acid Project C Corrected

The project focuses on designing a benzoic acid production process using toluene oxidation, targeting a production rate of 10,000 tons/year with 99.9% purity. The Aspen Plus simulation was employed to optimize the process, which includes the use of heuristics for separation and operating conditions, resulting in effective recycling and waste management. Key challenges addressed include distillation efficiency and the management of emissions and waste.

Uploaded by

malakpinkcupcake
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as DOCX, PDF, TXT or read online on Scribd
You are on page 1/ 56

KUWAIT UNIVERSITY

College of Engineering & Petroleum

CHEMICAL ENGINEERING DEPARTMENT


SECOND SEMESTER 2024-2025

Chemical Process Synthesis (0640-393)

Prof. Hisham Ettouney

Dr. Hala Alfulaij

Project – C
Heuristics & Process Simulation
Benzoic Acid

Group No. 2

Name Student ID

Farah Alshaiji 2211129030

Farah Alrabiah 2211119390

Malak Alkandari 2191113062

Mariam Alenezi 2192131193

Salma Razzouk 2211150064


Summary No need for this information

This project designs a benzoic acid production process targeting 10,000 tons/year via

toluene oxidation. Aspen plus program was used to simulate this process. Initial feeds of

10.9 kmol/hr toluene and 136.1 kmol/hr oxygen were scaled up to 11.42kmol/hr and

142.6kmol/hr, achieving 99.9% purity and 9999.43 tons/year. 1% of the distillation

bottom product was purged and the remaining was recycled. Heuristics guided

separation and operating conditions, with a separator membrane added to address

distillation issues. Separation was done by heuristic S17 and SD3 according to relative

volatility. Utility selection matched thermal needs. Water was the main waste, and

untreated oxygen, nitrogen emissions pose flammability risks.

Should not be mentioned here !!

1
Table of Contents
Summary................................................................................................................1

List of Figures........................................................................................................3

List of Tables.........................................................................................................4

Chapter 1: Introduction..........................................................................................6

1.1 Process Description...............................................................................................7


1.2 Process flow development:.................................................................................10
1.2.1 Selection of Separation Units:..........................................................................10
1.2.2 selection of temperature and phase change units:..........................................12
1.2.3 selection of pressure change units:..................................................................16
Chapter 2: Aspen Plus Simulation.......................................................................24

2.1 Aspen Plus...........................................................................................................24


2.2 Highlights of Aspen Plus Material and Energy Balance................................25
Chapter 3: Utility.................................................................................................34

3.1 Utility...................................................................................................................34
3.2 Utility calculations...............................................................................................35
Chapter 4: Discussion and Conclusions..............................................................47

3.1 Discussion............................................................................................................47
3.2 Conclusion...........................................................................................................48
References...........................................................................................................49

Appendix.............................................................................................................51

2
List of Figures

Figure1. 1: Process flowsheet of Benzoic Acid production..............................................9

3
List of Tables

Table1. 1: Separation Units Heuristics...........................................................................10

Table1. 2: Calculations on T-102 using SD3&S17.........................................................11

Table1. 3: (Continued) Calculations on T-102 using SD3&S17....................................11

Table1. 4: (Continued) Calculations on T-102 using SD3&S17....................................11

Table1. 5: temperature and phase change units’ heuristics...........................................12

Table1. 6: (continued) temperature and phase change units’ heuristics........................13

Table1. 7: (Continued) temperature and phase change units’ heuristics.......................14

Table1. 8: Selection of Pressure Change Units..............................................................16

Table2. 1: Specification of Air fresh feed stream (stream No. 1)...................................25

Table2. 2: Specification of Toluene fresh feed stream (stream No. 2)............................25

Table2. 3: Specification of Reactor feed (stream No. 7).................................................26

Table2. 4: Specification of Rector feed (stream No. 9)...................................................26

Table2. 5: Specification of Rector product (stream No. 10)...........................................27

Table2. 6: Specification of main product (stream No. 19).............................................27

Table2. 7: Specification of emissions (stream No. 12)...................................................28

4
Table2. 8: Specification of emissions (stream No. 14)...................................................28

Table2. 9: Specification of waste (stream No. 22)..........................................................29

Table2. 10: Specification of waste (stream No. 26)........................................................29

Table2. 11: specification of energy consumption/duty of each unit................................30

Table2. 12: (Continued) specification of energy consumption/duty of each unit...........31

Table2. 13: (continued) specification of energy consumption/duty of each unit............32

Table2. 14: (continued): specification of energy consumption/duty of each unit...........33

Table A. 1: Aspen plus results table................................................................................51

Table A. 2: Continued Aspen plus results table.............................................................51

Table A. 3: Continued Aspen plus results table..............................................................52

Table A. 4: Continued Aspen plus results table..............................................................52

5
Chapter 1:
Introduction

Benzoic acid (C6H5COOH) is the simplest benzene-based carboxylic acid

(Benzoic Acid, 2020). It is a compound that consists of benzene ring core carrying a

carboxylic acid substituent. Benzoic acid appears as a white crystalline solid that is

slightly soluble in water. It is used to make many chemicals, such as food preservatives,

intermediate in the synthesis of dyes, plastics, and pharmaceuticals (Benzoic Acid,

2004). There are various industrial methods to produce benzoic acid. The oxidation of

toluene was selected as the optimal method for benzoic acid production. This is due to

its high yield (above 90%), selectivity (above 95%), and economic viability (Hundly,
Repeated
unless you
1965). In addition, the oxidation of toluene with air has become the main technology for
provide new
reasons
producing benzoic acid. It is the most common industrial method to produce benzoic

acid (The toluene oxidation reaction, 2010). This method involves the catalytic

oxidation of toluene (C6H5CH3) in the presence of oxygen (O 2) using vanadium

pentoxide (V2O5) as a catalyst, producing benzoic acid (C 6H5COOH) and water (H2O).

The oxidation of toluene reaction is (Study, 2025):

2 C6 H 5 CH 3 +3 O2 V 2 O5 2C 6 H 5 COOH +2 H 2 O

(1)

6
Is this the storage condition of toluene ?? reference ?
1.1 Process Description
Benzoic acid is produced by the oxidation of Toluene (reaction of Toluene with

oxygen) as shown in the flowsheet in figure 1, 142.6 kmol/hr Air (21% O 2, 79% N2) and

11.42 kmol/hr Toluene at ambient conditions interred as fresh feeds. Air is compressed

using a multistage compressor system to reach 10 bar and heated up to 165 oC. Toluene

is also pressurized to 10 bar and heated up to 10 bar and 165 OC which are reactor

operating conditions. The two streams are then fed to the reactor where the following

reaction occurs: Toluene is then mixed with a recycle stream before entering the reactor

2 C6 H 5 CH 3 +3 O2 V 2 O5 2C 6 H 5 COOH +2 H 2 O (conversion = 50% of Toluene)


Partial condenser Explain what happened here


The reactor effluent is then cooled to 50 oC and sent to a flash then a membrane

was used to get rid of all non-condensable gases (oxygen and nitrogen). The liquid

stream pressure leaving the flash is then reduced to 2 bar HOW?? and sent to a

distillation column to separate the main product in the bottom (Benzoic acid) with a

production rate of 9999.43 tonne/yr and purity of 99.9% where:

 Number of stages = 6 Wrong


 Condenser pressure = 1.8 bar

 Reboiler pressure = 1.9 bar The top is liquid or vapor?


 Toluene recovery in the top = 0.9999

 Benzoic acid recovery in the bottom = 0.001 Wrong

The top stream is then cooled to 20 oC and sent to another distillation column to

separate Toluene in the bottom and water in the top where:

Was it pure water ?

7
 Number of stages = 15

 Feed stage = 7

 Reflux ratio = 1

 Distillate to feed mole ratio = 0.5

 Condenser pressure = 1.4 bar

 Reboiler pressure = 1.5 bar

Water is then cooled to ambient conditions and sent off the plant for waste

treatment. Toluene is pressurized to 9.66 bar and heated up to 165 oC. 1% of the bottom

stream (Toluene) is purged and the remaining is recycled and mixed with the Toluene

entering the reactor to avoid accumulation and to save raw materials.

WHY ?? Of what ?

8
1
C-101 E-102
E-101 C-102
3 5
6
P-101 E-103 7 12
4
2 T-101
Figure1. 1: Process flowsheet of Benzoic Acid production

10 11
R-101 E-104
8
9
13 E-105
E-107
17 21 22
20

9
T-103
T-102
14 16
E-108
E-106 23 P-102 26
24
VL-101 18 19
15
V-101 25
27
B7
B9
1.2 Process flow development:

1.2.1 Selection of Separation Units:

Selection units were selected based on process needs following standard chemical

engineering heuristics (Turton, 2012).

Unit name ?? Distillation , Flash …

Table1. 1: Separation Units Heuristics

Unit Heuristics
SS3: Remove the largest product stream first. This makes all of

the subsequent separation units smaller (Turton, 2012)

S6: Consider membranes to separate gases of cryogenic boiling

SS2 ?? This islow


point and relatively notflow
membrane !!
rates (Turton, 2012)

SD3: When the adjacent ordered components in the feed vary

widely in relative volatility, sequence the splits in order of

decreasing volatility. (Turton, 2012)

S16: Distillation is usually the most economical method for

separation (Turton, 2012)

S17: For ideal mixtures, relative volatility is the ratio of vapor

pressures

𝛼1,2=𝐾1 /𝐾2 =𝑃1∗ /𝑃2 ∗ (Turton, 2012)

SD3: When the adjacent ordered components in the feed vary

widely in relative volatility, sequence the splits in order of

decreasing volatility. (Turton, 2012)

S16 ??

10
Table1. 2: Calculations on T-102 using SD3&S17

A B C

8.1401 1810.9 244.48

Water W 9 4 5

Toluen 6.9546 219.48

e T 4 1344.8 2

Benzoi

c B 7.454 1820 147.96

@T=165

P*= 10^(A-B/(T+C)

Table1. 3: (Continued) Calculations on T-102 using SD3&S17

P* mmHg

W 5220.452 mmHg

T 2863.828 mmHg

B 43.50712 mmHg

Table1. 4: (Continued) Calculations on T-102 using SD3&S17

Relativ

n(kmol/ volatilit

comp hr) P* alpha y

A Water 4.672971 5220.45 119.990 1.82289 A/B

11
2 8 3

Toluen 2863.82 65.8243 65.8243

B e 4.672971 8 6 6 B/C

Benzoi 43.5071

C c 4.672971 2 1 _ _

Wrong numbers .. check


aspen
Where α= 𝛼1,2=𝐾1 /𝐾2 =𝑃1∗ /𝑃2 (S17)

1.2.2 selection of temperature and phase change units:

Temperature and phase change units were selected based on process needs following

standard chemical engineering heuristics (Turton, 2012).

H36 is for
compressors !!!!
Table1. 5: temperature and phase change units’ heuristics

Unit Purpose Temperature approach Heuristics


Stage compressors coolers both sides: 30°C H31

(Turton, 2012) H36


Multi stage compressor
intercooler H26

(Turton, 2012)

Stage compressors coolers inlet temperature: H31

150°C (Turton, 2012) H36


cooler
outlet temperature: H26

30°C (Turton, 2012) (Turton, 2012)

12
Cooling the stream for the inlet temperature: 30°C H31

separation process (Turton, 2012) H26

outlet temperature: (Turton, 2012)

10°C (Turton, 2012)

Heating the stream for the inlet temperature: 10°C H31

reactor (Turton, 2012) H26

outlet temperature: (Turton, 2012)

30°C (Turton, 2012)

Table1. 6: (continued) temperature and phase change units’ heuristics

Unit Purpose Temperature approach Heuristics

Cooling the stream to inlet temperature: 10°C H31

Temperature that is (Turton, 2012) H26

lower than boiling outlet temperature: 5°C (Turton, 2012)

point (100,110) (Turton, 2012)

because DC can’t deal

Suitable for with high


distillation column temperature feed

Storage conditions inlet temperature: 30°C H31

What ?? cooling (Turton, 2012) H26

or heating outlet temperature: 10°C (Turton, 2012)

(Turton, 2012)

13
Storage conditions inlet temperature: 10°C H31

(Turton, 2012) H26


What ?? cooling
outlet temperature: 10°C (Turton, 2012)
or heating
(Turton, 2012)

Increased to 165 C inlet temperature: 10°C H31

(reactor operating (Turton, 2012) H26

temp) to mix with outlet temperature: 30°C (Turton, 2012)

the fresh feed (Turton, 2012)

Increased
what ??

Table1. 7: (Continued) temperature and phase change units’ heuristics

Unit Purpose Temperature approach Heuristics

Condensation for condenser temperature: 10°C H31

condenser (Turton, 2012) H26

(Turton, 2012)
reboiler temperature
Evaporation for
approach= 10°C (Turton,
reboiler
2012)

Condensation for Condenser temperature: H31


condenser 10°C (Turton, 2012) H26

Reboiler temperature: 10°C (Turton, 2012)


Evaporation for
(Turton, 2012)
reboiler

14
The Heuristics for the tables above are: Missing
heuristics
H31: Estimate heat-exchange pressure drop as follows:

 1.5 psi for boiling and condensing

 3 psi for a gas

 5 psi for low-viscosity liquid

 7 – 9 psi for a high-viscosity liquid

 20 psi for a process fluid passing through a furnace (Turton, 2012)


Not related

H36: Estimate interstage pressures by using approximately the same compression ratio

for each stage with an intercooler pressure drop of 2 psi or 15 kPa (Turton, 2012)

H26: Near-optimal minimum temperature approaches in heat exchangers depend on the

temperature level as follows:

 5° C (10° F) or less for temperatures below ambient.

 10° C (20° F) for temperatures at or above ambient up to 150° C (300° F)

 30° C (50° F) for high temperatures.

 150° C (250° F) to 200° C (350° F) in a furnace for gas temperature above inlet

process fluid temperature. (Turton, 2012)

15
1.2.3 selection of pressure change units:

Pressure change units were selected based on process needs following standard
chemical engineering heuristics (Turton, 2012). The main heuristics applied were:

Table1. 8: Selection of Pressure Change Units

Inlet Outlet Number of Reason of selection


Unit Name Type of Unit Pressure Pressure Heuristics
(bar) (bar) Applied

HE34 Staged compressor to


Compressor C- increase pressure of gas
Compressor 1.01 3.183 HE36
101 to (10 bar)
(Turton, 2012)

HE34 Staged compressor to


Compressor C- increase pressure of gas
Compressor 2.9 10 HE36
102 to (10 bar)
(Turton, 2012)

Increasing liquid
HE37 pressure to 10 bar
Pump P-101 Pump 1.01325 10
(Turton, 2012) (reactor operating
pressure)

Increasing liquid
HE37 pressure to 10 bar
Pump P-102 Pump 1.5 9.655
(Turton, 2012) (reactor operating
pressure)

Control valve because


HE38 pressure was too high
Valve VL-101 Valve 9.79 2
(Turton, 2012) for separator, so needs
pressure drop of 6 bar.

16
Definitions of heuristics used in pressure change units:

 HE34: Use a fan to raise the gas pressure from atmospheric pressure to a high as

0.1 atm-g (1.47 psig). Use a blower or compressor to raise the gas pressure to as

high as 2 atm-g (30 psig). Use a compressor or a staged compressor system to

attain pressures greater than 2 atm-g (30 psig) (Turton, 2012).

 HE36: Estimate the number of gas compression stages, N, from the following

table, which assumes a specific heat ratio of 1.4 and a maximum compression

ratio of 4 for each stage. (See Table in book or slides).

Optimal interstage pressures correspond to equal work for each compressor.

Estimate interstage pressures by using approximately the same compression

ratio for each stage with an intercooler pressure drop of 2psi or 15kPa (Turton,

2012).

 HE37: For heads up to 975 m (3200 ft) and flow rates in the range of 40-19000

Lpm (10 to 5000 gpm), use a centrifugal pump. For high heads up to 6100 m

(20000 ft) and flow up to 1900 Lpm (500 gpm), use a reciprocating pump

(Turton, 2012).

 HE38: For liquid flow, assume a pipeline pressure drop of 2 psi / 100 ft of pipe

and a control valve pressure drop of at least 10 psi. For each 10-ft rise in

elevation, assume a pressure drop of 4 psi (Turton, 2012).

17
1.2.4 selection of utilities used:

Utilities were selected for each equipment based on outlet temperature, required duty,

pressure requirements, and process type, following chemical engineering heuristics

(TLV CO., n.d.). Below is a detailed breakdown for each equipment:

1. Cooler E-101

 Utility Used: Cooling Water (CW entering 29.5°C).

 Inlet Temperature stream 3: 183.644°C Wrong


 Outlet Temperature stream 5: 165°C Very high !!! you should cool more

 Approach both sides: 30°C (Turton, 2012)

 Duty: -5231.47 cal/sec ≈ -21.9 kW ≈ -0.07884 GJ/hr No need here


 Reason: Cooling water range between 27°C to 32 °C, no heating (TLV CO.,

n.d.). ?

Wrong Ref

2. Cooler E-102

 Utility Used: Cooling Water (CW entering 29.5°C).

 Inlet Temperature stream 6: 405.84°C Wrong


Very high because inlet Temp is very high!
 Outlet Temperature stream 7: 165°C

 Approach for inlet temperature: 150°C (Turton, 2012)

 Approach for outlet temperature: 30°C (Turton, 2012)

 Duty: -69280.8 cal/sec ≈ -290.0 kW ≈ -1.044 GJ/hr No need here

 Reason: Cooling water range between 27°C to 32 °C, no heating (TLV CO.,

Wrong Ref
18
n.d.).

19
3. Heater E-103

 Utility Used: Medium-Pressure Steam (MPS at 10 barg entering 186°C).

 Inlet Temperature stream 4: 26.7251°C

 Outlet Temperature stream 8: 165°C

 Approach for inlet temperature: 10°C (Turton, 2012)

 Approach for outlet temperature: 30°C (Turton, 2012)

 Duty: +18178.9 cal/sec ≈ +76.1 kW ≈ +0.274 GJ/hr

 Reason: Heating from ambient temperature to 165°C requires medium-pressure

steam (suitable for 160–180°C heating range) (TLV CO., n.d.). No .. Wrong

4. Cooler E-104

 Utility Used: Cooling Water (CW entering 29.5°C)

 Inlet Temperature: 165°C

 Outlet Temperature: 50°C

 Approach for inlet temperature: 30°C (Turton, 2012)

 Approach for outlet temperature: 10°C (Turton, 2012)

 Duty: -89517.6 cal/sec ≈ -375.0 kW ≈ -1.35 GJ/hr

 Reason: : Cooling water range between 27°C to 32 °C, no heating (TLV CO.,

n.d.). Wrong Ref

Inlet Temp

20
5. Cooler E-105

 Utility Used: Refrigerated Water (RW entering 5°C).

 Inlet Temperature stream 17: 87.9153°C

 Outlet Temperature stream 20: 20°C

 Approach for inlet temperature: 10°C (Turton, 2012)

 Approach for outlet temperature: 5°C (Turton, 2012)

 Duty: -7997.87 cal/sec ≈ -33.5 kW ≈ -0.1206 GJ/hr

 Reason: Refrigerated water was selected because the outlet temperature (20°C)

is not in the limit for cooling water and river water (TLV CO., n.d.).
Wrong Ref

6. Cooler E-106

 Utility Used: Refrigerated Water (RW entering 5°C)

 Inlet Temperature stream 18: 274.356°C

 Outlet Temperature stream 19: 25°C

 Approach for inlet temperature: 30°C (Turton, 2012)

 Approach for outlet temperature: 10°C (Turton, 2012)

 Duty: -33785.1 cal/sec ≈ -141.5 kW ≈ -0.509 GJ/hr

 Reason: Refrigerated water was selected because the outlet temperature (25°C)

is not in the limit for cooling water and river water (TLV CO., n.d.).

 Wrong Ref

21
7. Cooler E-107

 Utility Used: Refrigerated Water (RW entering 5°C)

 Inlet Temperature stream 21: 31.7886°C

 Outlet Temperature stream 22: 25°C

 Approach for inlet temperature: 10°C (Turton, 2012)

 Approach for outlet temperature: 10°C (Turton, 2012)

 Duty: -937.831 cal/sec ≈ -3.9 kW ≈ -0.014 GJ/hr

 Reason: Refrigerated water was selected because the outlet temperature (25°C)

is not in the limit for cooling water and river water (TLV CO., n.d.).

Wrong Ref

8. Heater E-108

 Utility Used: Medium-Pressure Steam (HPS at 27.6 barg entering 186°C).

 Inlet Temperature stream 24: 128.356°C


Wrong below
 Outlet Temperature stream 25: 165°C approach

 Approach for inlet temperature: 10°C (Turton, 2012)

 Approach for outlet temperature: 30°C (Turton, 2012)

 Duty: +3477.37 cal/sec ≈ +14.6 kW ≈ +0.0525 GJ/hr

 Reason: High-pressure steam was used to heat from above 180°C (TLV CO.,

n.d.). What is this Temp?

22
9. Tower T-102 (Condenser)

 Utility Used: Cooling Water (CW)

 Condensed Liquid Temperature stream 17: 87.9°C

 Approach for condensor temperature: 10°C (Turton, 2012)

 Duty: 31944.1 cal/sec ≈ 133.7 kW ≈ 0.481 GJ/hr

 Reason: Condenser needs cooling. 97.9°C is in the limit of Cooling water (TLV

CO., n.d.). Not clear ! Wrong Ref

10. Tower T-102 (Reboiler)

 Utility Used: Low Pressure Steam (LPS).


Wrong Utility!!!
 Outlet Temperature stream 18: 274.356°C

 Boiling temperature of key component (Toluene) = 110.6°C

 Temperature approach= 10°C (Turton, 2012)

 Duty: 67417.5 cal/sec ≈ 282.264 kW ≈ 1.01615 GJ/hr

Wrong X  Reason: Reboiler needs heating above 120.6°C , so low pressure steam is

chosen.

11. Tower T-103 (Condenser) Wrong Utility!!!


 Utility Used: Cooling water (CW).

 Outlet Temperature stream 21: 31.7889°C

 Approach for inlet temperature: 10°C (Turton, 2012)

 Duty: 37092.0175 cal/sec ≈ 155.297 kW ≈ 0.559 GJ/hr

Wrong X  Reason: Condenser needs cooling. 41.7°C is within the limit of cooling water

23
(TLV CO., n.d.).

12. Tower T-103 (Reboiler)

 Utility Used: Low Pressure Steam (LPS). LPS at P = ???

 Temperature of reboiler stream 23: 274.356°C Wrong .. Check Aspen

 Boiling temperature of key component (Toluene) = 110.6°C

 Temperature approach= 10°C (Turton, 2012)

 Duty: 67417.5 cal/sec ≈ 282.264 kW ≈ 1.01615 GJ/hr

Wrong X  Reason: Reboiler needs heating above 120.6°C , so low pressure steam is

chosen. (TLV CO., n.d.)

13. Reactor R-101

 Utility Used: Cooling Water (CW).

 Inlet Temperature stream 7 and 9: 165°C

 Outlet Temperature stream 10: 165°C

 Duty: -362662 cal/sec ≈ -1518.39 kW ≈ -5.461 GJ/hr

 Reason: exothermic reaction (negative Q ) (TLV CO., n.d.).

Wrong Ref

24
Chapter 2:
Aspen Plus Simulation

2.1 Aspen Plus

Aspen Plus is a highly acclaimed process modelling program widely used in

various industries, including chemical and petrochemicals, pharmaceuticals, and power

generation. It is a computer package (or software) provided by a US based company

called AspenTech (Abuelrub, 2025). User is allowed to build a process model and then

simulate it using complex calculations (models, equations, math calculations,

regressions, etc) (What is Aspen Plus?, 2025).Users of Aspen are likely, process

engineer, Simulation Engineer, Plant Designer and Process Design Engineer. One of the

best advantages is that Aspen Plus has already an existing database of species and their

pure/binary regressed parameters. Also, it can handle very complex processes, such as:

Chemical reactors, Multiple-column separation systems, Complex Recycle – Bypass

Stream in Processes and Distillation of chemically reactive compounds (What is Aspen

Plus?, 2025).

What is this ref ??

25
2.2 Highlights of Aspen Plus Material and Energy Balance

Table2. 1: Specification of Air fresh feed stream (stream No. 1)

Temperature (oC) 25

Pressure (bar) 1.01325

Total Molar flow rate (kmol/hr) 142.6

Components

O2 N2

Components Molar flow rate (kmol/hr) 29.95 112.65

Compositions 0.233 0.767

Table2. 2: Specification of Toluene fresh feed stream (stream No. 2)

Component C6H5CH3

Temperature (oC) 25

Pressure (bar) 1.01325

Total Molar flow rate (kmol/hr) 11.42

Composition 1

26
Table2. 3: Specification of Reactor feed (stream No. 7)

Temperature (oC) 165

Pressure (bar) 9.79

Total Molar flow rate (kmol/hr) 142.6

Components

O2 N2

Components Molar flow rate (kmol/hr) 29.95 112.65

Compositions 0.233 0.767

Table2. 4: Specification of Rector feed (stream No. 9)

Temperature (oC) 165

Pressure (bar) 9.79

Total Molar flow rate (kmol/hr) 142.6

Components

C6H5CH3 H2O C6H5COOH

Components Molar flow rate (kmol/hr) 18.68 3.51x10-5 0.0093

Compositions 0.9993 3.67x10-7 0.00066

27
How did the pressure increased in the reactor ??

Table2. 5: Specification of Rector product (stream No. 10)

Temperature (oC) 165

Pressure (bar) 10

Total Molar flow rate (kmol/hr) 156.62

Components

C6H5CH3 C6H5COOH H2O O2 N2

Components Molar flow rate (kmol/hr) 9.341 9.35 9.341 15.935 112.654

Compositions 0.1475 0.1965 0.0288 0.0874 0.5407

Table2. 6: Specification of main product (stream No. 19)

Temperature (oC) 25

Pressure (bar) 1.555

Total Molar flow rate (kmol/hr) 9.34081

Components

C6H5CH3 C6H5COOH H2O O2 N2

Components Molar flow rate (kmol/hr) 0.000834 9.34 1.972x10-6 0 0

Compositions 6.735x10-5 0.9999 3.115x10-5 0 0

28
Table2. 7: Specification of emissions (stream No. 12)

Temperature (oC) 50

Pressure (bar) 9.79

Total Molar flow rate (kmol/hr) 123.48

Components

C6H5CH3 C6H5COOH H2O O2 N2

Components Molar flow rate (kmol/hr) 1.003 0.0008 2.9985 15.907 112.7

Compositions 0.024 2.72x10-5 0.0142 0.1336 0.8279

Table2. 8: Specification of emissions (stream No. 14)

Temperature (oC) 50

Pressure (bar) 9.79

Total Molar flow rate (kmol/hr) 0.11

Components

C6H5CH3 C6H5COOH H2O O2 N2

Components Molar flow rate (kmol/hr) 0 0 0 0.028 0.08

Compositions 0 0 0 0.285 0.72

29
Table2. 9: Specification of waste (stream No. 22)

Temperature (oC) 25

Pressure (bar) 1.055

Total Molar flow rate (kmol/hr) 7.345

Components

C6H5CH3 C6H5COOH H2O O2 N2

Components Molar flow rate (kmol/hr) 1.0021 0 6.342 0 0

Compositions 0.45 0 0.553 0 0

Table2. 10: Specification of waste (stream No. 26)

Temperature (oC) 165

Pressure (bar) 9.31

Total Molar flow rate (kmol/hr) 0.07

Components

C6H5CH3 C6H5COOH H2O O2 N2

Components Molar flow rate (kmol/hr) 0.073 9.33x10-5 3.54x10-7 0 0

Compositions 0.998 0.0017 9.43x10-7 0 0

Table2. 11: specification of energy consumption/duty of each unit

30
Units Q (kW)

C-101
184.566

E-101
-21.903

C-102
289.246

E-102
-290.065

P-101
1.02745

E-103
76.1114

-1518.39

R-101

31
Table2. 12: (Continued) specification of energy consumption/duty of each unit
Units Q (kW)

E-104
-374.792

T-101 0.3311

T-102 (reboiler)

282.264
T-102

T-102 (condenser)

133.743

T-102

32
Table2. 13: (continued) specification of energy consumption/duty of each unit

Units Q (kW)

E-105

-33.4855

E-106

-141.451

T-103 (reboiler)

T-102
180.293

T-103 (condenser)

155.297

T-102

33
Table2. 14: (continued): specification of energy consumption/duty of each unit
Units Q (kW)

E-107

-3.926

P-102

0.679

E-108

14.5591

34
Chapter 3:
Utility

3.1 Utility

Every chemical plant needs raw materials to manufacture final products. It also

requires various other services called utilities for effectively carrying out the processes.

Utility is neither a reactant nor a product. Utilities are required for maintaining proper

process conditions such as pressure and temperature of a manufacturing unit

(Manickkam, 2016). The utilities used in the process of benzoic acid production using

the oxidation of toluene reaction are cooling water, medium-pressure steam, high-

pressure steam, and refrigerated water.

35
3.2 Utility calculations

183.644 oC
E-101 (Cooler)

165 oC
o
Stream Inlet Temperature: 183.644 C
48.5 oC
o
Stream Outlet Temperature: 165 C
29.5
Temperature approach: 30 oC (Turton, 2012) o
C

Utility name: Cooling water (CW)


o
Utility Inlet Temperature: 29.5 C
o
Utility Outlet Temperature: 48.5 C

Q = -21.9 kW You should cool to a lower


temperature !!
Q = Mutility * Cputility * ΔTutility

21.9 = Mutility * 4.18 * (48.5-29.5)

Mutility = 0.276 kg/sec

Mutility Aspen = 0.276 kg/sec

|Mutility calculated−Mutility Aspen|


%Error= ∗100
M utility Aspen

∗100 = 0%
|0.276−0.276|
%Error=
0.276

36
405.84oC
E-102 (Cooler)

165oC
Stream Inlet Temperature: 405.84 oC
48.5 oC
Stream Outlet Temperature: 165 oC
29.5
Inlet temperature approach: 30 oC (Turton, 2012) o
C
o
Outlet temperature approach: 30 C (Turton, 2012)

Utility name: Cooling water (CW)


o
Utility Inlet Temperature: 29.5 C
o
Utility Outlet Temperature: 48.5 C

The inlet temperature is very high !!


Q = -290 kW

Q = Mutility * Cputility * ΔTutility

290 = Mutility * 4.18 * (48.5-29.5)

Mutility = 3.651 kg/sec

Mutility Aspen = 3.659 kg/sec

|Mutility calculated−Mutility Aspen|


%Error= ∗100
M utility Aspen

∗100 = 0.219 %
|3.651−3.659|
%Error=
3.659

37
E-103 (Heater)
186oC 186oC

o 165 oC
Stream Inlet Temperature: 26.7251 C

Stream Outlet Temperature: 165 oC 26.7251oC

Inlet temperature approach: 10 oC (Turton, 2012)

Outlet temperature approach: 30 oC (Turton, 2012)

WRONG
Utility name: Medium-pressure steam (mps at 10 barg)
o
utility
Utility Inlet Temperature: 186 C
o
Utility Outlet Temperature: 186 C

Q = 76.1 kW

ΔHutility = 1999.28 kJ/kg (Calculator: Saturated Steam Table by Pressure,

2025)

Q = Mutility * ΔHutility

76.1 = Mutility * 1999.28

Mutility = 0.0381 kg/sec

Mutility Aspen = 0.0382 kg/sec

|Mutility calculated−Mutility Aspen|


%Error= ∗100
M utility Aspen

|0.0381−0.0382|
%Error= ∗100 = 0.262 %
0.0382

38
165oC
E-104 (Cooler)

50oC

Stream Inlet Temperature: 165 oC 48.5 oC

Stream Outlet Temperature: 50 oC 29.5oC

Inlet temperature approach: 30 oC (Turton, 2012)

Outlet temperature approach: 10 oC (Turton, 2012)

Utility name: Cooling water (CW)


o
Utility Inlet Temperature: 29.5 C
o
Utility Outlet Temperature: 48.5 C

Check value in
Q = -375 kW
aspen and above
Q = Mutility * Cputility * ΔTutility table

375 = Mutility * 4.18 * (48.5-29.5)

Mutility = 4.72 kg/sec

Mutility Aspen = 4.73 kg/sec

|Mutility calculated−Mutility Aspen|


%Error= ∗100
M utility Aspen

∗100 = 0.211 %
|4.72−4.73|
%Error=
4.73

39
E-105 (Cooler) 87.9153oC

20oC
Stream Inlet Temperature: 87.9153 oC 15 oC

Stream Outlet Temperature: 20 oC


5oC
Inlet temperature approach: 10 oC (Turton, 2012)

Outlet temperature approach: 5 oC (Turton, 2012)

Utility name: Refrigerated water (RW)


o
Utility Inlet Temperature: 5 C
o
Utility Outlet Temperature: 15 C

Why didn’t use the


Q = -33.5 kW values in the table
above ?
Q = Mutility * Cputility * ΔTutility

33.5 = Mutility * 4.18 * (15-5)

Mutility = 0.801 kg/sec

Mutility Aspen = 0.799 kg/sec

|Mutility calculated−Mutility Aspen|


%Error= ∗100
M utility Aspen

∗100 = 0.250 %
|0.801−0.799|
%Error=
0.799

40
E-106 (Cooler) 274.356oC

25oC
o
Stream Inlet Temperature: 274.356 C
15 oC
Stream Outlet Temperature: 25 oC
5oC
o
Inlet temperature approach: 30 C (Turton, 2012)

Outlet temperature approach: 10 oC (Turton, 2012)

Utility name: Refrigerated water (RW)


o
Utility Inlet Temperature: 5 C
o
Utility Outlet Temperature: 15 C

Q = -141.5 kW

Q = Mutility * Cputility * ΔTutility

141.5 = Mutility * 4.18 * (15-5)

Mutility = 3.385 kg/sec

Mutility Aspen = 3.377 kg/sec

|Mutility calculated−Mutility Aspen|


%Error= ∗100
M utility Aspen

∗100 = 0.237 %
|3.385−3.377|
%Error=
3.377

41
E-107 (Cooler)

31.7886oC

Stream Inlet Temperature: 31.7886 oC


25oC
Stream Outlet Temperature: 25 oC 15 oC

Inlet temperature approach: 10 oC (Turton, 2012)


5oC
Outlet temperature approach: 10 oC (Turton, 2012)

Utility name: Refrigerated water (RW)


o
Utility Inlet Temperature: 5 C
o
Utility Outlet Temperature: 15 C

Q = -3.9 kW

Q = Mutility * Cputility * ΔTutility

3.9 = Mutility * 4.18 * (15-5)

Mutility = 0.0933 kg/sec

Mutility Aspen = 0.0937 kg/sec

|Mutility calculated−Mutility Aspen|


%Error= ∗100
M utility Aspen

∗100 = 0.427 %
|0.0933−0.0937|
%Error=
0.0937

42
E-108 (Heater)

231 oC 231 oC

Stream Inlet Temperature: 128.356 oC


165 oC
Stream Outlet Temperature: 165 oC
128.356oC
o
Inlet temperature approach: 10 C (Turton, 2012)

Outlet temperature approach: 30 oC (Turton, 2012)

Utility name: High-pressure steam (hps at 27.6 barg)


o
Utility Inlet Temperature: 231 C
o
Utility Outlet Temperature: 231 C

Q = 14.6 kW

ΔHutility = 1807.05 kJ/kg (Calculator: Saturated Steam Table by Pressure,

2025)

Q = Mutility * ΔHutility

14.6 = Mutility * 1807.05

Mutility = 0.00808 kg/sec

Mutility Aspen = 0.00806 kg/sec

|Mutility calculated−Mutility Aspen|


%Error= ∗100
M utility Aspen

∗100 = 0.248 %
|0.00808−0.00806|
%Error=
0.00806

43
Tower T-102 (Condenser)
87.9oC 87.9oC

Utility Used: Cooling Water (CW)

Condensed Liquid Temperature stream 17: 87.9°C 48.5 oC

Approach for condensor temperature: 10°C (Turton, 2012)


29.5oC
Duty: 31944.1 cal/sec ≈ 133.7 kW ≈ 0.481 GJ/hr

Q = 133.7 kW, Cp = 4.18 kJ/kg·K, ΔT = 48.5 - 29.5 = 19°C

ṁ = 1.683 kg/s
Show equation used for
calculation ??

Tower T-102 (Reboiler)

Utility Used: Low Pressure Steam (LPS).


135.6
Outlet Temperature stream 18: 274.356°C C

Boiling temperature of key component (Toluene) = 110.6°C

Temperature approach= 10°C (Turton, 2012)

Duty: 67417.5 cal/sec ≈ 282.264 kW ≈ 1.01615 GJ/hr


110.6 oC

Tb + 25 = 110.6 +35 = 135.6 °C


λ = 2199.35 kJ/kg (steam Table by Temperature , 2025)
Q=λ*ṁ
282.264 = 2199.35 * ṁ
ṁ = 0.1283 kg/s
WRONG

44
Tower T-103 (Condenser) 31.78 oC 31.78o
C
C

Utility Used: Cooling water (CW).


48.5 oC
Outlet Temperature stream 21: 31.7889°C
29.5oC
Approach for inlet temperature: 10°C (Turton, 2012)

Duty: 37092.0175 cal/sec ≈ 155.297 kW ≈ 0.559 GJ/hr

Reason: Condenser needs cooling. 41.7°C is within the limit of cooling water (TLV

CO., n.d.).
WRONG

ṁ = Q / (Cp × ΔT)

Q = 155.297 kW, Cp = 4.18 kJ/kg·K, ΔT = 48.5 - 29.5 = 19°C

ṁ = 1.955 kg/s

135.6
C
Tower T-103 (Reboiler)

Utility Used: Low Pressure Steam (LPS).

Temperature of reboiler stream 23: 274.356°C


110.6 oC
Boiling temperature of key component (Toluene) = 110.6°C

Temperature approach= 10°C (Turton, 2012)

Duty: 67417.5 cal/sec ≈ 282.264 kW ≈ 1.01615 GJ/hr

Reason: Reboiler needs heating above 120.6°C , so low pressure steam is chosen. (TLV

CO., n.d.)

WRONG
Tb + 25 = 110.6 +35 = 135.6 °C

45
λ = 2199.35 kJ/kg (steam Table by Temperature , 2025)

Q=λ*ṁ

282.264 = 2199.35 * ṁ

ṁ = 0.1283 kg/s

165oC 165oC
Reactor R-101

Utility Used: Cooling Water (CW). 48.5 oC

Inlet Temperature stream 7 and 9: 165°C


29.5oC
Outlet Temperature stream 10: 165°C

Duty: -362662 cal/sec ≈ -1518.39 kW ≈ -5.461 GJ/hr

Reason: exothermic reaction (negative Q ) (TLV CO., n.d.)

Utility name: Cooling water (CW)


o
Utility Inlet Temperature: 29.5 C
o
Utility Outlet Temperature: 48.5 C

Q = -1528.39kW

Q = Mutility * Cputility * ΔTutility

1518.39= Mutility * 4.18 * (48.5-29.5)

Mutility = 19.11 kg/sec

Mutility Aspen = 19.152 kg/sec

46
|Mutility calculated−Mutility Aspen|
%Error= ∗100
M utility Aspen

|19.11−19.152|
%Error= ∗100=0.219
19.152

47
This is not Chapter 4:
abstract !!
Discussion and Conclusions

3.1 Discussion
This project aims to produce 10000 tonne/yr of Benzoic acid by the oxidation of

Toluene. 10.9 kmol/hr Toluene and 136.1 kmol/hr Oxygen entered as the process fresh

feeds according to a material balance done before simulating. Several Heuristics such as

heuristics 2, 31, 34, 36, S17, SD3, and SS3 were applied for choosing separating

methods, sequences, and operating conditions. Error was found in distillation columns

because of impurities so that according to heuristic S6 a component separator

membrane was used. The production rate was found to be 9544.21 tonne/yr. After

scaling up Toluene fresh feed to 11.42 kmol/hr and Oxygen to 142.6 kmol/hr the

production rate of benzoic acid has increased to 9999.43 tonne/yr with 99.9% purity.

1% of the distillation bottom product was purged and the remaining was recycled to

avoid wasting raw materials and accumulation of impurities in the reactor.

48
3.2 Conclusion

The Benzoic Acid production process designed in this project

successfully produced a high purity product of Benzoic Acid our main

production material. Based on the stream results, water was discharged as

the main waste component, and toluene was also present in the waste

stream, indicating a loss of valuable material. Oxygen and Nitrogen gases

appeared in the emission outputs and were released directly into the

environment without treatment. For decreasing gas emission especially

oxygen since it increases the risk of flammability. Flow control loops and

raito controllers are commonly used (Seborg). The utility selection was

aligned with the temperature needs of each unit, supporting proper thermal

performance. Additionally, heat integration can be applied to recover

excess heat from hot streams (such as reactor outlets or product streams)

and reuse it in other units, reducing the need for external heating sources

like steam or electricity.

There are also findings that highlight areas for improvement, such

as reducing toluene loss in the waste by using multi-stage reactor system,

where two or more reactors are connected in series. This approach allows

the unreacted Toluene from the first stage to undergo further reaction in the

subsequent stages, increasing overall conversion.

49
50
References

Abuelrub, D. Z. (2025). Aspen Plus Lab Pharmaceutical Plant. Retrieved from German

Jordanian University: https://www.gju.edu.jo/sites/default/files/aspen_plus_-

_introduction.pdf

Benzoic Acid. (2004, 9 16). Retrieved from PubChem:

https://pubchem.ncbi.nlm.nih.gov/compound/Benzoic-Acid

Benzoic Acid. (2020, December 21). Retrieved from American Chemical Society :

https://www.acs.org/molecule-of-the-week/archive/b/benzoic-acid.htm

Calculator: Saturated Steam Table by Pressure. (2025, April 29). Retrieved from

https://toolbox.tlv.com/global/ME/calculator/steam-table-pressure.html

Hundly, F. (1965). Maufacture of Benzoic Acid from Toluene. U.S Patent.

Manickkam, S. (2016, October ). Chemical Plant Utilities. Retrieved from

https://www.researchgate.net/publication/328567969_Chemical_Plant_Utilities

Seborg, D. E. (n.d.). Process dynamics and control (4th ed.). Retrieved from

https://elmoukrie.com/wp-content/uploads/2022/06/process-dynamics-and-

control-dale-e.-seborg-thomas-f.-edgar-etc.-z-lib.org_.pdf

51
Study, Q. (2025, March 25). Industrial Production of Benzoic Acid. Retrieved from

https://qsstudy.com/industrial-production-benzoic-acid/

The toluene oxidation reaction. (2010, April). Retrieved from ResearchGate:

https://www.researchgate.net/figure/The-toluene-oxidation-

reaction_fig1_238118659

TLV CO., L. (n.d.). Saturated Steam Table by Pressure. Retrieved from TLV - A Steam

Specialist Company: https://toolbox.tlv.com/global/ME/calculator/steam-table-

pressure.html

Turton, R. B. (2012). Analysis, Synthesis, and Design of Chemical Processes.

PearsonEducation. Retrieved from

https://ptgmedia.pearsoncmg.com/images/9780132618120/samplepages/013261

8125.pdf

What is Aspen Plus? (2025, 5 2). Retrieved from Chemical Engineering Guy (also

known as ChemEngGuy):

https://chemicalengineeringguy.com/the-blog/process-simulation/what-is-aspen-

plus/#:~:text=Aspen%20Plus%20%28AP%20for%20short%29%20is%20the

%20leading,complex%20calculations%20%28models%2C%20equations%2C

%20math%20calculations%2C%20regressions%2C%20etc%29

52
Appendix
Table A. 1: Aspen plus results table
Strea 1 2 3 4 5 6 7
m
Phase Vapor Liquid Vapor Liquid Vapor Vapor Vapor
Temperature C 25 25 183.64 26.73 165.00 405.84 165.00
Pressure bar 1.01 1.01 3.18 10.00 2.98 10.00 9.79
Mass Vapor 1 0 1 0 1 1 1
Fraction
Total Mole Flow kmol/ 142.6 11.42 142.6 11.42 142.6 142.6 142.6
rate hr
Comp Mole Flow
rate
TOLUENE kmol/ 0 11.42 0 11.42 0 0 0
hr
O2 kmol/ 29.95 0 29.95 0 29.95 29.95 29.95
hr
N2 kmol/ 112.65 0 112.65 0 112.65 112.65 112.65
hr
WATER kmol/ 0 0 0 0 0 0 0
hr
BENZOIC kmol/ 0 0 0 0 0 0 0
hr
Total Mass Flow kg/hr 4114.0 1052.2 4114.07 1052. 4114.07 4114.07 4114.07
rate 7 4 24
Mass Fractions
TOLUENE 0 1 0 1 0 0 0
O2 0.233 0 0.233 0 0.233 0.233 0.233
N2 0.767 0 0.767 0 0.767 0.767 0.767
WATER 0 0 0 0 0 0 0
BENZOIC 0 0 0 0 0 0 0

Table A. 2: Continued Aspen plus results table

Strea 8 9 10 11 12 13 14
m
Phase Liquid Liquid mixture mixture Vapor Liquid Vapor
Temperature C 165.00 165.00 165 50 50 50 50
Pressure bar 9.66 9.31 10 9.895 9.79 9.79 9.79
Mass Vapor 0 0 0.8097 0.6524 1 0 1
Fraction
Total Mole Flow kmol/ 11.42 18.69 156.62 156.62 132.48 24.14 0.11
rate hr
Comp Mole Flow
rate
TOLUENE kmol/ 11.42 18.68 9.341 9.341 1.003 8.338 0
hr

53
O2 kmol/ 0 0 15.935 15.935 15.907 0.028 0.028
hr
N2 kmol/ 0 0 112.65 112.65 112.574 0.080 0.080
hr 4 4
WATER kmol/ 0 3.51E-05 9.3409 9.3409 2.9985 6.3425 0
hr
BENZOIC kmol/ 0 0.0093 9.35 9.35 0.0008 9.349 0
hr
Total Mass Flow kg/hr 1052.2 1722.48 5836.5 5836.5 3809.09 2027.4 3.15
rate 4 5 5 6
Mass Fractions
TOLUENE 1 0.9993 0.1475 0.1475 0.0243 0.3789 0
O2 0 0 0.0874 0.0874 0.1336 0.0004 0.2849
N2 0 0 0.5407 0.5407 0.8279 0.0011 0.7151
WATER 0 3.67E-07 0.0288 0.0288 0.0142 0.0564 0
BENZOIC 0 0.00066 0.1956 0.1956 2.72E-05 0.5632 0
Strea 15 16 17 18 19 20 21
m
Phase Liquid Liquid Liquid Liquid Liquid Liquid Liquid
Temperature C 50 50.38 87.92 274.36 25 20 31.79
Pressure bar 9.79 2 1.8 1.9 1.555 1.695 1.4
Mass Vapor 0 0 0 0 0 0 0
Fraction
Total Mole Flow kmol/ 24.03 24.03 14.69 9.34 9.34 14.69 7.34
rate hr
Comp Mole Flow
rate
TOLUENE kmol/ 8.338 8.3381 8.3372 0.0008 0.0008 8.337 1.0021
hr 1
O2 kmol/ 0 0 0 0 0 0 0
hr
N2 kmol/ 0 0 0 0 0 0 0
hr
WATER kmol/ 6.342 6.3425 6.3425 1.97E- 1.97E- 6.3425 6.3424
hr 5 06 06
BENZOIC kmol/ 9.349 9.349 0.0093 9.34 9.34 0.0093 0
hr
Total Mass Flow kg/hr 2024. 2024.31 883.60 1140.71 1140.7 883.60 206.59
rate 31 1
Mass Fractions
TOLUENE 0.379 0.3795 0.8694 6.74E- 6.74E- 0.8694 0.4469
5 05 05
O2 0 0 0 0 0 0 0
N2 0 0 0 0 0 0 0
WATER 0.056 0.0564 0.1293 3.11E- 3.11E- 0.1293 0.5531
4 08 08
BENZOIC 0.564 0.5640 0.0013 0.9999 0.9999 0.0013 0
0
Table A. 3: Continued Aspen plus results table

54
Strea 22 23 24 25 26 27
m
Phase mixture liquid liquid liquid liquid liquid
Temperature C 25 126.80 128.36 165 165 165
Pressure bar 1.055 1.5 9.655 9.31 9.31 9.31
Mass Vapor 0.44912 0 0 0 0 0
Fraction
Total Mole Flow kmol/ 7.34 7.34 7.34 7.34 0.07 7.27
rate hr
Comp Mole Flow
rate
TOLUENE kmol/ 1.0021 7.335 7.335 7.335 0.073 7.262
hr
O2 kmol/ 0 0 0 0 0 0
hr
N2 kmol/ 0 0 0 0 0 0
hr
WATER kmol/ 6.3424 3.54E- 3.54E- 3.54E- 3.54E- 3.51E-
hr 05 05 05 07 05
BENZOIC kmol/ 0 0.00935 0.00935 0.00935 9.35E- 0.0093
hr 05
Total Mass Flow kg/hr 206.59 677.01 677.01 677.01 6.77 670.24
rate
Mass Fractions
TOLUENE 0.4469 0.9983 0.9983 0.9983 0.9983 0.9983
O2 0 0 0 0 0 0
N2 0 0 0 0 0 0
WATER 0.5531 9.43E- 9.43E- 9.43E- 9.43E- 9.43E-
07 07 07 07 07
BENZOIC 0 0.0017 0.0017 0.0017 0.0017 0.0017
Table A. 4: Continued Aspen plus results table

55

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