This document provides examples of chemical reaction simulations. Example 2 simulates an equilibrium reactor where CO and H2O react to form CO2 and H2. The vapor from a conversion reactor is sent to this equilibrium reactor along with steam. Example 3 simulates two kinetic reactions in a plug flow reactor: 1) Toluene + Hydrogen reacting to form Benzene + Methane, and 2) two Benzene molecules reacting to form Biphenyl + Hydrogen. A stream with various components enters the plug flow reactor at high temperature and pressure. The reactor has specified dimensions and pressure drops are noted. The stream is then cooled before being sent to a separator.

1. SIMULATION
ENG. KAREEM H. HAMAD ENG. AMAL MAGDY

2. EXAMPLE 2
• Open example 1 then add the following:
• CO+H2O↔CO2 +H2
• The vapor from the conversion reactor will be sent to an equilibrium reactor
where the previous equation takes place.
• The vapor is sent to the reactor in addition to steam at 100C and 2 bar with a flow
rate of 100kgmole per hour

3. EXAMPLE 3 REACTION TYPE: KINETICS
• Reaction 1
• Toluene + Hydrogen  Benzene + Methane
• Partial pressure, toluene as a base component, and the reaction is in vapor phase
reaction
• Temp range = -273 to 3000 C
• A= 3.7*106 KJ/Kg mole
• E= 2.1 * 105 KJ/Kg mole
• Basis units : Psia & lbmole/ft3 min

4. EXAMPLE 3 REACTION TYPE: KINETICS
• Reaction 2
• 2 Benzene = Biphenyl + Hydrogen
• Partial pressure, benzen as base component, and the reaction is in vapor phase
• A= 60000 kj/kgmole
• E=2.1 *105 kj/kgmole
• Reverse A = 2.6 * 105 kj/kgmole
• Basis units : Psia & lbmole/ft3 min

5. EXAMPLE 3 REACTION TYPE: KINETICS
• A stream at 635 degree celsius and 3447 kpa with a total molar flow rate of
1611kgmole/hr has the following composition
• Methane 0.0425
• Benzen 0.3943
• Biphenyl 0.099
• Hydrogen 0.0634
• Toluene 0.4007

6. EXAMPLE 3 REACTION TYPE: KINETICS
• Enters a plug flow reactor
• The PFR volume is 87 m3 and the length of it is 0.34 m
• That has a pressure drop of 100 kpa

7. EXAMPLE 3 REACTION TYPE: KINETICS
• The stream is cooled to 90 degrees celsius and the pressure drop in cooler is 100
kpa
• Then sent to a separator