(503b) Modeling and Simulation  of a Hybrid Adsorptive-Membrane Reactor (HAMR) for Intensification of the Water-Gas Shift (WGS) Reaction Process

The Hybrid Adsorptive-Membrane Reactor (HAMR) is a dynamically operated process, which consists of a metal tube containing one or more tubular membranes. The HAMR’s reaction section, surrounding the membrane tubes, contains catalyst and adsorbent material that accelerate reaction kinetics and adsorb some reaction products from the reacting mixture respectively. The HAMR’s permeation section consists of the membrane tubes’ interior, and physically removes some other reaction products from the reacting mixture. The HAMR is typically operated in reaction and regeneration modes, since the adsorbent meterial reaches its adsorption capacity after a period of operation, and thus needs to be regenerated.

In this work a mathematical model of HAMR is developed and simulated. The aim of this effort is to intensify the water gas shift (WGS) reaction process for hydrogen production. Indeed, the coupling of reaction and separation in the HAMR process can substantially improve reactant conversion, product selectivity, and can even yield near pure products. In addition, for reversible reactions such as the WGS, the HAMR process can be designed so as to deliver reactant conversions that exceed even equilibrium conversions attainable in conventional reactors. The HAMR system is composed of a, where some reaction products permeate. The proposed HAMR model quantifies velocity, species concentration, and temperature profiles throughout the reaction-adsorption, and permeation zones, by solving momentum/species/energy transport equations accounting for convection/reaction /diffusion/conduction mechanisms.

The developed model is used to intensify the Water Gas Shift Reactor (WGSR) Process. To this end, the performance of the traditional packed bed reactor is first quantified. Then parametric studies of the HAMR are carried out, so as to identify maximum intensification designs. These studies include a broad range of operating conditions and parameters (e.g. reactor operating temperature, catalyst and adsorbent weight to feed flowrate ratios, and others.