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Final Project 2022 Modeling Simulation

This document outlines a final project in process systems engineering and process modeling. Students will model and simulate the hydrodealkylation of toluene using ProSim Plus and MATLAB under different conditions to achieve a desired final conversion of toluene. The reaction scheme and kinetics will be provided. Students are asked to use MATLAB to determine the volume of plug flow reactors required to reach 75% toluene conversion under various temperature and pressure conditions. They will also use ProSim Plus to simulate the designed processes and compare results to MATLAB. The goal is to maximize benzene yield from toluene with isothermal, isobaric conditions.

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coco
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41 views

Final Project 2022 Modeling Simulation

This document outlines a final project in process systems engineering and process modeling. Students will model and simulate the hydrodealkylation of toluene using ProSim Plus and MATLAB under different conditions to achieve a desired final conversion of toluene. The reaction scheme and kinetics will be provided. Students are asked to use MATLAB to determine the volume of plug flow reactors required to reach 75% toluene conversion under various temperature and pressure conditions. They will also use ProSim Plus to simulate the designed processes and compare results to MATLAB. The goal is to maximize benzene yield from toluene with isothermal, isobaric conditions.

Uploaded by

coco
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
You are on page 1/ 6

Chemical Engineering /

modeling / simulation

Final Project in PSE and Process Modeling

2022 UFAZ

Christophe Castel
Dimitrios Meimaroglou
Content

1 Case Study. 2

2 Reaction scheme 3

3 Reaction rates 4
3.1 Reaction rates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
3.2 Kinetic constants . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4

4 Questions 5
4.1 MATLAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
4.2 PROSIM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5

1
1 Case Study.

In this project, the hydrodealkylation of toluene will be considered. More specifically, you
will have to use ProSim Plus and Matlab to model and simulate the process, under different
conditions, in order to achieve the desired final conversion of toluene. During this process, you
will have to consider different types of reactors as well as isothermal and adiabatic conditions.
In all cases, you will consider an inlet stream, at 1200 F and 494 psia, with the following
composition:

ˆ Hydrogen, H2 : 2045.9 lb-mol/hr

ˆ Methane, CH4 : 3020.8 lb-mol/hr

ˆ Benzene, C6 H6 : 46.2 lb-mol/hr

ˆ Toluene, C7 H8 : 362.0 lb-mol/hr

ˆ Biphenyl, C12 H10 : 1.0 lb-mol/hr

You are asked to provide two text reports and the associated ProSim Plus and Matlab files.
The reports should contain a brief introduction, the main results of the different cases, along
with the necessary critical discussion and comments, and some concluding results. All figures
and tables should be properly named and numbered and their format should facilitate legibility
(attention to the quality of screenshots!).
All files must be sent by e-mail to [email protected] and to dimitrios.meimaroglou@univ-
lorraine.fr, no later than January 8, 2023.

2
2 Reaction scheme

The following reaction scheme will be considered :

C7 H8 + H2 →
− C6 H6 + CH4 (2.1)
2C6 H6 →
− C12 H10 + H2 (2.2)

These reactions occur in gas phase.


The first of the above reactions will be considered to be the principal reaction, while the second
one will be considered to be the secondary one.

3
3 Reaction rates

3.1 Reaction rates


The reaction rate of the principal reaction

C7 H8 + H2 →
− C6 H6 + CH4

is the following:

r1 = k1 [C7 H8 ]0.5 [H2 ] (3.1)


This reaction rate is expressed in mol/s/L and the associated concentrations expressed in
mol/L.

The reaction law of the secondary rection is unknown.

3.2 Kinetic constants


The parameter k1 is expressed through Arrhenius laws :

−E
k1 = k0 exp( )
RT
with :

coefficient k0 E
L0.5 /mol0.5 /s cal/mol

k1 6.3e10 50000

4
4 Questions

4.1 MATLAB
ˆ Determine the volume of a PFR to reach 75% conversion in toluene, under constant Tem-
perature and Pressure (equal to feed conditions).

ˆ Determine the volume of a PFR to reach 75% conversion in toluene, under constant T,
considering a linear (with reactor volume) dP along the reactor. You will consider a global
(for the entire reactor) pressure drop DP equal to 50 psi.

ˆ Determine the volume of a PFR to reach 75% conversion in toluene, considering a linear
dP and dT along the reactor. In the same way, you will consider a global temperature rise
of 65 F.

In all cases, we will consider a first reactor to achieve the 2% conversion in benzene from the
secondary reactor.

4.2 PROSIM
ˆ Simulate on PROSIM the process designed at the first question of the MATLAB section
(isothermal and isobaric). Exact design (length, internal diameter and number of tubes)
of the reactor will be provided, relevant results (to be precised) compared with MATLAB
and discussed.

ˆ Simulate on PROSIM the process designed at the third question of the MATLAB section
(Temperature rise and pressure drop). Exact design of the reactor will be provided, relevant
results compared with MATLAB and discussed..

ˆ Propose a process (general scheme and reactor design) that maximises the real yield in
benzene Ybenzene/toluene and allow 75% conversion in toluene with isobaric and isothermal
conditions. Separation operation can be considered as ideal (No requested design to be
provided)

The classical SRK thermodynamic model (with binary parameters !!) can be used.

We will also consider, in all cases, a first reactor to achieve the 2% conversion in benzene from
the secondary reactor.

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