Benzoic Acid Project C Corrected
Benzoic Acid Project C Corrected
Project – C
Heuristics & Process Simulation
Benzoic Acid
Group No. 2
Name Student ID
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
bottom product was purged and the remaining was recycled. Heuristics guided
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
1
Table of Contents
Summary................................................................................................................1
List of Figures........................................................................................................3
List of Tables.........................................................................................................4
Chapter 1: Introduction..........................................................................................6
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
3
List of Tables
4
Table2. 8: Specification of emissions (stream No. 14)...................................................28
5
Chapter 1:
Introduction
(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,
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
pentoxide (V2O5) as a catalyst, producing benzoic acid (C 6H5COOH) and water (H2O).
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
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
The top stream is then cooled to 20 oC and sent to another distillation column to
7
Number of stages = 15
Feed stage = 7
Reflux ratio = 1
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
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:
Selection units were selected based on process needs following standard chemical
Unit Heuristics
SS3: Remove the largest product stream first. This makes all of
pressures
S16 ??
10
Table1. 2: Calculations on T-102 using SD3&S17
A B C
Water W 9 4 5
e T 4 1344.8 2
Benzoi
@T=165
P*= 10^(A-B/(T+C)
P* mmHg
W 5220.452 mmHg
T 2863.828 mmHg
B 43.50712 mmHg
Relativ
n(kmol/ volatilit
11
2 8 3
B e 4.672971 8 6 6 B/C
Benzoi 43.5071
C c 4.672971 2 1 _ _
Temperature and phase change units were selected based on process needs following
H36 is for
compressors !!!!
Table1. 5: temperature and phase change units’ heuristics
(Turton, 2012)
12
Cooling the stream for the inlet temperature: 30°C H31
(Turton, 2012)
13
Storage conditions inlet temperature: 10°C H31
Increased
what ??
(Turton, 2012)
reboiler temperature
Evaporation for
approach= 10°C (Turton,
reboiler
2012)
14
The Heuristics for the tables above are: Missing
heuristics
H31: Estimate heat-exchange pressure drop as follows:
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)
150° C (250° F) to 200° C (350° F) in a furnace for gas temperature above inlet
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:
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)
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
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 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
17
1.2.4 selection of utilities used:
Utilities were selected for each equipment based on outlet temperature, required duty,
1. Cooler E-101
n.d.). ?
Wrong Ref
2. Cooler E-102
Reason: Cooling water range between 27°C to 32 °C, no heating (TLV CO.,
Wrong Ref
18
n.d.).
19
3. Heater E-103
steam (suitable for 160–180°C heating range) (TLV CO., n.d.). No .. Wrong
4. Cooler E-104
Reason: : Cooling water range between 27°C to 32 °C, no heating (TLV CO.,
Inlet Temp
20
5. Cooler E-105
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
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
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
Reason: High-pressure steam was used to heat from above 180°C (TLV CO.,
22
9. Tower T-102 (Condenser)
Reason: Condenser needs cooling. 97.9°C is in the limit of Cooling water (TLV
Wrong X Reason: Reboiler needs heating above 120.6°C , so low pressure steam is
chosen.
Wrong X Reason: Condenser needs cooling. 41.7°C is within the limit of cooling water
23
(TLV CO., n.d.).
Wrong X Reason: Reboiler needs heating above 120.6°C , so low pressure steam is
Wrong Ref
24
Chapter 2:
Aspen Plus Simulation
called AspenTech (Abuelrub, 2025). User is allowed to build a process model and then
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:
Plus?, 2025).
25
2.2 Highlights of Aspen Plus Material and Energy Balance
Temperature (oC) 25
Components
O2 N2
Component C6H5CH3
Temperature (oC) 25
Composition 1
26
Table2. 3: Specification of Reactor feed (stream No. 7)
Components
O2 N2
Components
27
How did the pressure increased in the reactor ??
Pressure (bar) 10
Components
Components Molar flow rate (kmol/hr) 9.341 9.35 9.341 15.935 112.654
Temperature (oC) 25
Components
28
Table2. 7: Specification of emissions (stream No. 12)
Temperature (oC) 50
Components
Components Molar flow rate (kmol/hr) 1.003 0.0008 2.9985 15.907 112.7
Temperature (oC) 50
Components
29
Table2. 9: Specification of waste (stream No. 22)
Temperature (oC) 25
Components
Components
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
(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-
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
∗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)
∗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
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
2025)
Q = Mutility * ΔHutility
|0.0381−0.0382|
%Error= ∗100 = 0.262 %
0.0382
38
165oC
E-104 (Cooler)
50oC
Check value in
Q = -375 kW
aspen and above
Q = Mutility * Cputility * ΔTutility table
∗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
∗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)
Q = -141.5 kW
∗100 = 0.237 %
|3.385−3.377|
%Error=
3.377
41
E-107 (Cooler)
31.7886oC
Q = -3.9 kW
∗100 = 0.427 %
|0.0933−0.0937|
%Error=
0.0937
42
E-108 (Heater)
231 oC 231 oC
Q = 14.6 kW
2025)
Q = Mutility * ΔHutility
∗100 = 0.248 %
|0.00808−0.00806|
%Error=
0.00806
43
Tower T-102 (Condenser)
87.9oC 87.9oC
ṁ = 1.683 kg/s
Show equation used for
calculation ??
44
Tower T-103 (Condenser) 31.78 oC 31.78o
C
C
Reason: Condenser needs cooling. 41.7°C is within the limit of cooling water (TLV
CO., n.d.).
WRONG
ṁ = Q / (Cp × ΔT)
ṁ = 1.955 kg/s
135.6
C
Tower T-103 (Reboiler)
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
Q = -1528.39kW
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
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
48
3.2 Conclusion
the main waste component, and toluene was also present in the waste
appeared in the emission outputs and were released directly into the
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
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
There are also findings that highlight areas for improvement, such
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
49
50
References
Abuelrub, D. Z. (2025). Aspen Plus Lab Pharmaceutical Plant. Retrieved from German
_introduction.pdf
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
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/
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
pressure.html
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
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