Kuwait University

College of Engineering and Petroleum

Department of Chemical Engineering
ChE 393 – Chemical Process Synthesis
Summer 2022/20 23

Project C: Heuristics & Process Simulation

Group #5

Cyclohexane

Group members:

Reem Almutairi ID:2191117000

Rahaf Almonyea ID:2191119762
Omar Alotaibi ID: 2181146585
Hajer Alfadhli ID: 2201118646

Date: 18 / 7 / 2023

Instructor: Prof. Haitham Lababidi

T.A: Dr. Ghanima Al-Sharrah
Table of contents
List of figures............................................................................................................................. 3

List of tables ............................................................................................................................ 4

Summary .................................................................................................................................... 5

1- Process flowsheet: ............................................................................................................... 6

1.1: Process Heuristics: ............................................................................................................ 7

1.2 Separation equipment: ..................................................................................................... 7

1.3 Temperature change equipment: .......................................................................................... 8

1.4 Heuristics of utility: ............................................................................................................. 8

1.5 Phase change equipment:..................................................................................................... 9

1.6 Reactor vessel: ................................................................................................................... 10

1.7 Pressure change: ................................................................................................................ 11

2.1 Process description: ....................................................................................................... 12

2.2 Highlights: ......................................................................................................................... 13

2.3 Discussion:......................................................................................................................... 14

2.4 Appendix:........................................................................................................................... 15
List of figures:
Figure (1): Process Flowsheet………………………………………………………….6

Figure (2): Distillation Column ………………………………………………………….7

Figure (3): Heater ………………………………………………………….8

Figure (4): Flash drum………………………………………………………….9

Figure (4): Reactor………………………………………………………….10

List of tables:
Tabel (1): Heater ………………………………………………………….13

Table (2): Reactor ………………………………………………….………13

Table (2): Cooler ………………………………………………….………13

Table (2): Flash drum ………………………………………………….………13

Summary
tonnes
This report was done to produce 10,000 of Cyclohexane. the best process creation for the industrial
year

production of cyclohexane through examining the distribution of chemicals and eliminating the difference
in molecule type of each reaction path. There are three reaction paths that are mainly used in the industries
which two have been eliminated due to their many inevitable disadvantages regarding economic potential
or their harm to the environment. In this report the chosen reaction path for the production of cyclohexane
is the widely adopted hydrogenation of benzene at typical operating conditions may involve temperatures
ranging from 150 to 250 °C and pressures ranging from 20 to 60 atmospheres (bar).

C6H6 + 3H2 → C6H12

(Benzene) (Hydrogen) (Cyclohexane)

for it positive promising results like high conversion rate (99%), high yield (95%) and great economical

potential of . A process diagram has been designed for this reaction where one reactor was
used and no recycle stream was needed because of the high conversion of the reaction. Lastly, a basic
material balance where the conservation of mass was valid.
1-Process flowsheet:

Figure 1: Flowsheet
1.1 Process Heuristics:

Heuristics in process industries are rules which are made by experience, and these are used during the
design and process calculations. Heuristics are guidelines helps in reducing the long calculations and
speed up the whole process of modeling or design. In our process, various equipment are configured for
certain purposes. Following are the heuristics which are applied on the process equipment involved in
the simulation.

1.2 Separation equipment (Distillation column):

Liquid mixture of benzene and cyclohexane coming from the bottom of flash drum needs to be separate to get
the final product. This is done with the help of distillation column as per heuristic 9. This heuristic
demonstrates that to separate liquid mixture into individual components separation techniques like distillation,
stripping, extractive distillation, or liquid-liquid extraction.

Distillation is a physical separation technique which is based on the separation of liquid substances with
respect to the boiling points. The column used in the simulation is a binary type of distillation which separate
benzene and cyclohexane.

Figure 2: Distillation Column

1.3 Temperature change equipment (Heater):

Mixed stream entering in reactor is composed of hydrogen and benzene. Benzene exists in liquid form which
needs to be vaporized before the reactor vessel. For the vaporization purpose, a heater is used. Heater provides
heat with the help of superheated steam at high pressure to raise the temperature of stream from 37.57 oC to
149 oC. Heater is a heat exchanger which transfers heat between process stream and superheated steam.

Figure 3: Heater

According to heuristic 25, heat exchangers are used for the heating and cooling applications with or without
utilities. If the temperature needs to be raised greater than 400 oC a furnace is used. In our case the target
temperature is 149 oC, hence heater is used with steam as utility.

1.4 Heuristics of utility:

According to heuristics, the pressure of superheated steam used for the maximum temperature raises up to 186
o
C is 10 barg.
 1.5 Phase change equipment (Flash Drum):

Phase change is occurred in flash drum where heavier components liquefy due to expansion of vapor stream.
Flash drum is used to separate the mixture of vapors with the help of condensation technique. In this
equipment, hydrogen is not condensed at low temperature of 49 oC, while unreacted benzene and cyclohexane
condensed into liquid phase. The pressure of outlet stream is also less than the inlet pressure due to expansion
of vapors.

Figure 4: Flash Drum

In this equipment, heuristic 11 is applied which tells that to separate mixture of vapors partial condensation is
used. In flash drum heavy components condensed while lighter components which are hydrogen leaves from
the top of the flash drum.
 1.6 Reactor vessel:

Reactor is a vessel used for the conversion of reactants into products at certain parameters of temperature and
pressure. In this simulation, the chemical reaction between benzene and hydrogen to produce cyclohexane is
occurred. This reaction is exothermic in nature.

Therefore, to maintain the temperature of reactor vessel and remove extra amount of heat produced cooling
water circulation is provided as per heuristic 22.

Figure 5: Reactor
 1.7 Pressure change:

The stream after heater is the reactor feed is vapor, but its pressure is 22.7 bar in the range reach reaction
pressure conditions so before the reactor we don’t need compressor to increase pressure.

According to Heuristics 31 to measure the pressure drop:

Heater has a pressure drop of 20 psi.

Cooler has pressure drop of 1.5 psi.

According to Heuristics 38 to measure the pressure drop:

Control valve has pressure drop of 10 psi.

 2- Aspen Plus Simulation:

2.1 Process description:

From the process flow sheet, stream 1 includes Benzene, stream 2 includes Hydrogen, stream 3 includes
benzene and hydrogen. In stream 4, mixture was heated to 149ᵒC above the boiling point to hydrogen
(-252.9ᵒC) and benzene (80.1ᵒC). Vaporizing benzene inside the furnace will require more energy which will
affect the cost also, it needs a larger size of furnace which also will increase the cost. Stream 3 enters the
furnace to be heated more reaching the reaction temperature 149 ᵒC. Stream 4 that includes hydrogen and
benzene at the reaction conditions (149ᵒC, 22.79 bar, 99% conversion) is entering the reactor. The reactor
outlet stream 5 included Cyclohexane needed to be purified so it entered a cooler to be cooled till 100ᵒC using
cooling water as a utility to make the further separation easier in the distillation column. Stream 6 out of the
cooler entering the flash drum the hydrogen will out as gas, and flash drum will give us 98% purity of
cyclohexane. Stream 9 out of the flash drum entering as liquid distillation column with partial condenser to
give us 99% purity.
 2.2 Highlights:

Table (1): Heater

Stream Temp. Pressure Phase Mass Flow Mol Flow hydrogen Benzene Utility
No. (°C) (bar) (Kg/hr) (Kmol/hr) mol frac. mol Type
frac.
Inlet 3 2.2 1.01 Vap-liq 1262.4192 60 0.75 0.25 Furnace

Outlet 4 149 22.79 vapor 1262.4192 60 0.75 0.25

Table (2): Reactor

Stream Temp. Pressure Phase Mass Flow Mol Flow hydrogen Benzene Cyclohexane
No. (°C) (bar) (Kg/hr) (Kmol/hr) mol frac. mol mol frac
frac.
Inlet 4 149 22.79 Vapor 1262.4192 60 0.75 0.25 0

Outlet 5 149 22.79 vapor 1262.4192 15.45 0.0291 0.0097 0.961165049

Table (3): Cooler

Stream Temp. Pressure Phase Mass Flow Mol Flow hydrogen Benzene Cyclohexane
No. (°C) (bar) (Kg/hr) (Kmol/hr) mol frac. mol mol frac
frac.
Inlet 5 149 22.79 Vap 1262.4192 15.45 0.0291 0.0097 0.961165049

Outlet 6 100 30.39 Vapor- 1262.4192 15.45 0.0291 0.0097 0.961165049

liq

Table (4): Flash drum

Stream Temp. Pressure Phase Mass Flow Mol Flow hydrogen Benzene Cyclohexane
No. (°C) (bar) (Kg/hr) (Kmol/hr) mol frac. mol mol frac
frac.
Inlet 7 100 24.318 Vap-liq 1262.4192 15.45 0.0291 0.0097 0.961165049

Outlet 8 49 24.318 vapor 1.00408 0.30347 0.9842 0.00016 0.0155823

Outlet 9 49 24.318 liquid 1261.4151 15.1465 0.0099 0.0098 0.980110395

2.3 Discussion:

tonnes
This project was mainly focused on produce 10,000 of Cyclohexane by the simulation of the
year

process by using Aspen to construct the process flow sheet and taking heuristics under consideration. 3
main equipment were used heater, reactor, and a distillation column. The conversion was high about 99%
and the purity of the distilled product was high, and the amount of raw material was very small so there
was no need to use another separator nor a recycle stream.
 2.4 Appendix:

-all Aspen Plus printouts:

Units 1 2 3 4 6
Description
From MIXER HEATER B1
To MIXER MIXER HEATER REACTOR B2
Stream Class CONVEN CONVEN CONVEN CONVEN CONVEN
Maximum Relative
Error
Cost Flow $/hr
MIXED Substream
Liquid
Phase Phase Vapor Phase Vapor Phase
Temperature C 25 25 2.213212 149 100
Pressure bar 1.01325 1.01325 1.01325 22.79813 30.3975
Molar Vapor Fraction 0 1 0.784217 1 0.014665
Molar Liquid Fraction 1 0 0.215783 0 0.985335
Molar Solid Fraction 0 0 0 0 0
Mass Vapor Fraction 0 1 0.199056 1 0.001283
Mass Liquid Fraction 1 0 0.800944 0 0.998717
Mass Solid Fraction 0 0 0 0 0
Molar Enthalpy 11976.66 0.133412 2994.264 6284.32 -32687.6
Mass Enthalpy 153.3235 0.066181 142.3108 298.6799 -400.045
Molar Entropy -59.6215 -0.00052 -14.8 -10.6497 -132.658
Mass Entropy -0.76327 -0.00026 -0.70341 -0.50616 -1.62352
Molar Density 0.011164 4.09E-05 5.64E-05 0.000657 0.00754
Mass Density 0.872073 8.24E-05 0.001186 0.013832 0.616113
Enthalpy Flow 49902.74 1.667654 49904.4 104738.7 -140284
Average MW 78.11364 2.01588 21.04032 21.04032 81.70998
Mole Flows kmol/hr 15 45 60 60 15.45
HYDRO-01 kmol/hr 0 45 45 45 0.45
BENZE-01 kmol/hr 15 0 15 15 0.15
CYCLO-01 kmol/hr 0 0 0 0 14.85
METHA-01 kmol/hr 0 0 0 0 0
NITRO-01 kmol/hr 0 0 0 0 0
Mole Fractions
HYDRO-01 0 1 0.75 0.75 0.029126
BENZE-01 1 0 0.25 0.25 0.009709
CYCLO-01 0 0 0 0 0.961165
METHA-01 0 0 0 0 0
NITRO-01 0 0 0 0 0
Mass Flows kg/hr 1171.705 90.7146 1262.419 1262.419 1262.419
HYDRO-01 kg/hr 0 90.7146 90.7146 90.7146 0.907146
BENZE-01 kg/hr 1171.705 0 1171.705 1171.705 11.71705
CYCLO-01 kg/hr 0 0 0 0 1249.795
METHA-01 kg/hr 0 0 0 0 0
NITRO-01 kg/hr 0 0 0 0 0
Mass Fractions
HYDRO-01 0 1 0.071858 0.071858 0.000719
BENZE-01 1 0 0.928142 0.928142 0.009281
CYCLO-01 0 0 0 0 0.99
METHA-01 0 0 0 0 0
NITRO-01 0 0 0 0 0
Volume Flow 22.39308 18357.71 17743.97 1521.165 34.15012
Vapor Phase
Molar Enthalpy 0.133412 696.2998 6284.32 -1190.31
Mass Enthalpy 0.066181 130.3779 298.6799 -166.495
Molar Entropy -0.00052 -1.86755 -10.6497 -12.1724
Mass Entropy -0.00026 -0.34969 -0.50616 -1.70262
Molar Density 4.09E-05 4.42E-05 0.000657 0.000969
Mass Density 8.24E-05 0.000236 0.013832 0.006928
Enthalpy Flow 1.667654 9100.836 104738.7 -74.9141
Average MW 2.01588 5.340629 21.04032 7.149215
Mole Flows kmol/hr 45 47.05302 60 0.226572
HYDRO-01 kmol/hr 45 44.99725 45 0.212402
BENZE-01 kmol/hr 0 2.05577 15 0.000153
CYCLO-01 kmol/hr 0 0 0 0.014017
METHA-01 kmol/hr 0 0 0 0
NITRO-01 kmol/hr 0 0 0 0
Mole Fractions
HYDRO-01 1 0.956309 0.75 0.937459
BENZE-01 0 0.043691 0.25 0.000676
CYCLO-01 0 0 0 0.061865
METHA-01 0 0 0 0
NITRO-01 0 0 0 0
Mass Flows kg/hr 90.7146 251.2927 1262.419 1.619809
HYDRO-01 kg/hr 90.7146 90.70906 90.7146 0.428176
BENZE-01 kg/hr 0 160.5837 1171.705 0.011958
CYCLO-01 kg/hr 0 0 0 1.179675
METHA-01 kg/hr 0 0 0 0
NITRO-01 kg/hr 0 0 0 0
Mass Fractions
HYDRO-01 1 0.36097 0.071858 0.264338
BENZE-01 0 0.63903 0.928142 0.007382
CYCLO-01 0 0 0 0.72828
METHA-01 0 0 0 0
NITRO-01 0 0 0 0
Volume Flow 18357.71 17725.12 1521.165 3.896875
Liquid Phase
Molar Enthalpy 11976.66 11345.72 -33156.4
Mass Enthalpy 153.3235 145.2764 -400.345
Molar Entropy -59.6215 -61.8 -134.451
Mass Entropy -0.76327 -0.79132 -1.62342
Molar Density 0.011164 0.011451 0.008387
Mass Density 0.872073 0.894278 0.694581
Enthalpy Flow 49902.74 40803.57 -140210
Average MW 78.11364 78.09748 82.81967
Mole Flows kmol/hr 15 12.94698 15.22343
HYDRO-01 kmol/hr 0 0.002749 0.237598
BENZE-01 kmol/hr 15 12.94423 0.149847
CYCLO-01 kmol/hr 0 0 14.83598
METHA-01 kmol/hr 0 0 0
NITRO-01 kmol/hr 0 0 0
Mole Fractions
HYDRO-01 0 0.000212 0.015607
BENZE-01 1 0.999788 0.009843
CYCLO-01 0 0 0.974549
METHA-01 0 0 0
NITRO-01 0 0 0
Mass Flows kg/hr 1171.705 1011.126 1260.799
HYDRO-01 kg/hr 0 0.005542 0.47897
BENZE-01 kg/hr 1171.705 1011.121 11.70509
CYCLO-01 kg/hr 0 0 1248.615
METHA-01 kg/hr 0 0 0
NITRO-01 kg/hr 0 0 0
Mass Fractions
HYDRO-01 0 5.48E-06 0.00038
BENZE-01 1 0.999995 0.009284
CYCLO-01 0 0 0.990336
METHA-01 0 0 0
NITRO-01 0 0 0
Volume Flow 22.39308 18.84437 30.25324

Units 7 8 9 10 11
Description
From B2 FLASH FLASH DISTIL DISTIL
To FLASH DISTIL
Stream Class CONVEN CONVEN CONVEN CONVEN CONVEN
Maximum Relative
Error
Cost Flow $/hr
MIXED Substream
Vapor Liquid Vapor Liquid
Phase Phase Phase Phase Phase
Temperature C 100.2039 49 49 122.944 123.4626
Pressure bar 24.318 24.318 24.318 3.03975 3.03975
Molar Vapor Fraction 0.018408 1 0 1 0
Molar Liquid Fraction 0.981592 0 1 0 1
Molar Solid Fraction 0 0 0 0 0
Mass Vapor Fraction 0.001889 1 0 1 0
Mass Liquid Fraction 0.998111 0 1 4.62E-11 1
Mass Solid Fraction 0 0 0 0 0
Molar Enthalpy -32687.6 -280.754 -35369 -25862.1 -32953.7
Mass Enthalpy -400.045 -84.8536 -424.696 -310.708 -391.695
Molar Entropy -132.607 -7.55034 -140.956 -115.898 -134.265
Mass Entropy -1.6229 -2.28198 -1.69254 -1.39241 -1.59591
Molar Density 0.007098 0.000898 0.008976 1.00E-04 0.008035
Mass Density 0.579988 0.002971 0.747544 0.008322 0.676009
Enthalpy Flow -140284 -23.6668 -148811 -103371 -6932.43
Average MW 81.70998 3.308686 83.2808 83.23605 84.13113
Mole Flows kmol/hr 15.45 0.30347 15.14653 14.3892 0.757327
HYDRO-01 kmol/hr 0.45 0.29869 0.15131 0.15131 0
BENZE-01 kmol/hr 0.15 5.10E-05 0.149949 0.146173 0.003776
CYCLO-01 kmol/hr 14.85 0.004729 14.84527 14.09172 0.753551
METHA-01 kmol/hr 0 0 0 0 0
NITRO-01 kmol/hr 0 0 0 0 0
Mole Fractions
HYDRO-01 0.029126 0.98425 0.00999 0.010515 0
BENZE-01 0.009709 0.000168 0.0099 0.010159 0.004986
CYCLO-01 0.961165 0.015582 0.98011 0.979326 0.995014
METHA-01 0 0 0 0 0
NITRO-01 0 0 0 0 0
Mass Flows kg/hr 1262.419 1.004088 1261.415 1197.7 63.71474
HYDRO-01 kg/hr 0.907146 0.602124 0.305022 0.305022 0
BENZE-01 kg/hr 11.71705 0.003985 11.71306 11.41812 0.29494
CYCLO-01 kg/hr 1249.795 0.397979 1249.397 1185.977 63.4198
METHA-01 kg/hr 0 0 0 0 0
NITRO-01 kg/hr 0 0 0 0 0
Mass Fractions
HYDRO-01 0.000719 0.599673 0.000242 0.000255 0
BENZE-01 0.009281 0.003968 0.009286 0.009533 0.004629
CYCLO-01 0.99 0.396359 0.990473 0.990212 0.995371
METHA-01 0 0 0 0 0
NITRO-01 0 0 0 0 0
Volume Flow 36.27717 5.632448 28.12354 2398.687 1.570855
Vapor Phase
Molar Enthalpy -1601.49 -280.754 -25862.1
Mass Enthalpy -191 -84.8536 -310.708
Molar Entropy -13.4289 -7.55034 -115.898
Mass Entropy -1.60159 -2.28198 -1.39241
Molar Density 0.000777 0.000898 1.00E-04
Mass Density 0.006519 0.002971 0.008322
Enthalpy Flow -126.519 -23.6668 -103371
Average MW 8.384744 3.308686 83.23605
Mole Flows kmol/hr 0.284404 0.30347 14.3892
HYDRO-01 kmol/hr 0.262336 0.29869 0.15131
BENZE-01 kmol/hr 0.000239 5.10E-05 0.146173
CYCLO-01 kmol/hr 0.021829 0.004729 14.09172
METHA-01 kmol/hr 0 0 0
NITRO-01 kmol/hr 0 0 0
Mole Fractions
HYDRO-01 0.922407 0.98425 0.010515
BENZE-01 0.000839 0.000168 0.010159
CYCLO-01 0.076754 0.015582 0.979326
METHA-01 0 0 0
NITRO-01 0 0 0
Mass Flows kg/hr 2.384654 1.004088 1197.7
HYDRO-01 kg/hr 0.528838 0.602124 0.305022
BENZE-01 kg/hr 0.018636 0.003985 11.41812
CYCLO-01 kg/hr 1.837179 0.397979 1185.977
METHA-01 kg/hr 0 0 0
NITRO-01 kg/hr 0 0 0
Mass Fractions
HYDRO-01 0.221767 0.599673 0.000255
BENZE-01 0.007815 0.003968 0.009533
CYCLO-01 0.770418 0.396359 0.990212
METHA-01 0 0 0
NITRO-01 0 0 0
Volume Flow 6.097072 5.632448 2398.687
Liquid Phase
Molar Enthalpy -33270.6 -35369 -32953.7
Mass Enthalpy -400.44 -424.696 -391.695
Molar Entropy -134.842 -140.956 -134.265
Mass Entropy -1.62294 -1.69254 -1.59591
Molar Density 0.008375 0.008976 0.008035
Mass Density 0.695842 0.747544 0.676009
Enthalpy Flow -140158 -148811 -6932.43
Average MW 83.08507 83.2808 84.13113
Mole Flows kmol/hr 15.1656 15.14653 0.757327
HYDRO-01 kmol/hr 0.187664 0.15131 0
BENZE-01 kmol/hr 0.149761 0.149949 0.003776
CYCLO-01 kmol/hr 14.82817 14.84527 0.753551
METHA-01 kmol/hr 0 0 0
NITRO-01 kmol/hr 0 0 0
Mole Fractions
HYDRO-01 0.012374 0.00999 0
BENZE-01 0.009875 0.0099 0.004986
CYCLO-01 0.977751 0.98011 0.995014
METHA-01 0 0 0
NITRO-01 0 0 0
Mass Flows kg/hr 1260.035 1261.415 63.71474
HYDRO-01 kg/hr 0.378308 0.305022 0
BENZE-01 kg/hr 11.69841 11.71306 0.29494
CYCLO-01 kg/hr 1247.958 1249.397 63.4198
METHA-01 kg/hr 0 0 0
NITRO-01 kg/hr 0 0 0
Mass Fractions
HYDRO-01 0.0003 0.000242 0
BENZE-01 0.009284 0.009286 0.004629
CYCLO-01 0.990416 0.990473 0.995371
METHA-01 0 0 0
NITRO-01 0 0 0
Volume Flow 30.1801 28.12354 1.570855