Membrane Reactor Modelling, Validation and Simulation for the WGS Reaction using Metal Doped Silica Membranes

In this work, a Matlab Simulink© model was developed to analyse and predict the performance of a metal doped silica membrane reactor for H2 production via both the high and low temperature water gas shift reaction. An activated transport model for mixed gas separation with combined reaction was developed to model the effects within a membrane reactor unit. The membrane reactor was modelled as a number of perfectly mixed compartments containing a catalyst bed and a gas selective membrane. The combined model provided a good fit to experimentally measured results for higher conversions up to equilibrium, which is generally the case for industrial applications. Simulation results showed that H2 separation and H2 recovery improved with pressure, due to the H2 concentration driving force across the membrane. For a single stage membrane reactor unit, a maximum conversion of 93% could be achieved with a H2 recovery rate of 95%. In addition, the membrane reactor efficiency increased at higher temperatures and lower H2O:CO feed ratios, allowing for CO conversion improvements by the membrane reactor.

Journal article