1 Process Simulator / L3/GP S2 :2024/2025

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Lab Work 2 - PROCESS SIMULATION
Toluene Production
1- Process Description
The reaction involves the dehydrogenation of n-heptane (C7H16) using a chromium(III) oxide (Cr2O3)
catalyst. The process starts by heating 10 kg of the incoming reactant from an initial temperature of 18°C
to 426°C in a heat exchanger. It is then introduced into an isothermal stoichiometric reactor, where 50%
of the n-heptane is converted into toluene (C7H8).
At the reactor outlet, the mixture is cooled in a heat exchanger to a temperature of 18°C before being fed
into a flash column.(Liquid / Vapor separaion)
Assuming that the entire installation operates at atmospheric pressure (1.01 bar), determine the output
streams from the flash column (Stream 5 and Stream 6) as shown in the diagram below.

Unit operation #1
Heat exchanger #1
row 5- column 4
Feed: Stream #1
Stream #2
n-HeptaneC7H16
Unit operation #2
Stoichiometric reactor #1
ligne 8- colonne 3

Stream #3
Unit operation #3
Heat exchanger #1
ligne 5- colonne 4
Stream #5
Stream #4
Hydrogen H2
Unit operation #4
Flash #1
ligne 5- colonne 2
Stream #6
Toluene C7H16
2 Process Simulator / L3/GP S2 :2024/2025
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Echangeur 1 Réacteur stœchiométrique

Colonne Flash

Echangeur 2

1- Operating Conditions:
a- Feed Stream:
 Temperature (°C) = 18.0
 Pressure (Bar) = 1.01
 Initial Quantity:
o n-Heptane (Kg/h) = 10.0 / Toluene = 0.0 / Hydrogen = 0.0
b- Heat Exchanger 1 (Unit operation. #1):
 Outlet Temperature (Stream #2) = 426°C
c- Reactor (Unit operation #2):
 Isothermal stoichiometric reactor T = 426°C
 Conversion Rate (n-Heptane) = 0.50
 Stoichiometric Coefficients:
o n-Heptane (-1) / Toluene (+1) / Hydrogen (+4)
d- Heat Exchanger 2 (Unit operation #3):
 Outlet Temperature (Stream 4) = 18°C
e- Flash Separator (Unit operation #4):
 No specifications provided
Summary:
The process consists of four (04) unit operations and six (06) streams.
Chemical Reaction:
C7H16→C7H8+4H2
3 Process Simulator / L3/GP S2 :2024/2025
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2- Thermodynamic Models:
 K-Value: Peng-Robinson
 H-Value (Enthalpy): Peng-Robinson
3- Stoichiometric Reactor Parameters:

Reactor temperature 426 C

Conversion rate 0.5

Stoichiometric coefficients

1- Heat Exchanger #1 Parameters:

Heating temperature 426 °C

2- Heat Exchanger #2 Parameters:

Cooling temperature 18 °C

3- Simulation results : (menu : Results / stream compositions / all stream):

Stream number

Mass balance :
Mass of each component
in each stream

4- Overall mass balance (menu : Results / convergence)

Total input Total output