Department of Chemical Engineering

National Institute of Technology Rourkela

Process Plant Simulation Lab

Exercise-2
Simulations using DWSIM
(Reactors)

1. Ethylene reacts with stoichiometric amounts of oxygen to form ethylene oxide (C2H4O).
Calculate the standard heat of reaction at 25OC. From the literature, the standard heats of
formation at 25OC of ethylene and ethylene oxide are 12500 kcal/kmol and -11667 kcal/kmol
respectively. Compare the results of DWSIM with the literature values and report the
percentage error.
2. Calculate the adiabatic reaction temperature for the reaction CO + 2H2  CH3OH under the
following conditions for 100 % conversion with respect to CO. The feed consisting of CO and
H2 in the stoichiometric ratio enters the reactor at 25°C and 1 atm. Make a tabular column
reporting adiabatic temperature for different conversions varying from 50% to 100 % with
respect to CO.
3. The gas phase reversible reaction C3H8  C2H4 + CH4 is allowed to reach equilibrium starting
with pure C3H8 at a pressure of 1 atm. Simulate to find the temperature at which the reactor
must operate in order to obtain a conversion of 80% at equilibrium. Use Equilibrium / Gibbs
reactor models and compare the result.

4. Feed consisting of Hydrogen = 2049.0, Methane = 3020.8, Benzene = 39.846, Toluene = 362
lbmol/hr enters into a Toluene Hydrodealkylation Reactor at 1200 F and 494 psi.
H2 + C7H8 CH4 + C6H6
The reaction may be assumed to be first order with respect to toluene and 0.5 order with
respect to hydrogen. The frequency factor and activation energy for the reaction are: 6.3x1010
and 52000 cal/mol respectively. Design an adiabatic plug flow reactor for obtaining a
conversion of 25% of toluene.

5. It is desired to feed 7850 kg of acetone per hour to a tubular reactor. If the reactor is adiabatic,
the feed is pure acetone, the inlet temperature is 1035 K, and the pressure is 162 kPa (1.6
atm), what will be the tubular reactor volume needed to achieve 20% conversion? Acetic
anhydride is prepared by the reaction of ethenone (ketene) with acetic acid at 45–55C and
low pressure (0.05–0.2 bar). Assume a PFR with 3 m length and 1 m in diameter. H2C = C =
O + CH3COOH → (CH3CO)2O The activation energy E of the Arrhenius equation, E =
284,521.7 J/mol and k* = 1.125 at 1000K . Also compare the results with CSTR operating at
the same conditions. Utilizing the results, answer the following questions: • Given that the
PFR is adiabatically operated, what will be the heat of reaction, endothermic or exothermic?