Modeling & Simulation of Water Gas Shift Reaction

The water-gas shift reaction, CO + H₂O ↔ CO₂ + H₂, provides a method for extracting the energy from the toxic CO by converting it into usable H₂ along with CO₂. For such an reaction depends on activity of catalyst so study of different metal based catalyst including Cu, Fe, Ni, Pd, Rh and Ru is in centre of interest. Generally all gas phase reaction is carried out in catalytic bed and all the reaction kinetics is based on some mechanism and also depends on catalyst property. Some of mechanism and kinetics of catalytic reaction is illustrated from researcher’s literature and also from catalyst manufacturer.Mathematical model for such water gas shift reaction is beneficial for study of Concentration profile & Temperature profile. Thus we could get smooth curve for concentration profile by doing modeling and simulation of such catalytic reaction. The main aim of modeling and simulation of any reaction are to provide or compare appropriate kinetics for particular reaction and also sometimes it used to comparison among different catalysts.