2-D Homogeneous Modeling and Simulation of Catalytic WGS Reactor

Document Type: Original Article


1 Department of Chemical Engineering, Petroleum University of Technology, Abadan, Iran.

2 Department of Gas Engineering, Petroleum University of Technology, Ahwaz, Iran.


In this paper, a simulation of a fixed bed reactor for water gas shift reaction, which forms part of a hydrogen production, was carried out. A commercial CuO/ZnO/Al2O3 catalyst was employed and a two-dimensional homogeneous model was applied for the simulation. The kinetic information has been taken from literature for the WGS reaction. The distribution of concentration in fluid bulk as well as porous catalyst, rate of reaction, pressure profile and superficial velocity distribution were represented as results of study. The simulation results validated using pressure drop of the reactor obtained via Darcy’s law as well as equilibrium conversions.  gPROMS, a general purpose modeling package, was used for modeling and simulation of the water–gas shift reaction.