Water-gas-shift (WGS) membrane reactor
is a promising approach
to purify hydrogen produced by hydrocarbon or biomass reforming to
fuel cell grade (<10 ppm CO). CO2-selective polymer
membranes suitable for the above operation can potentially be fabricated
into spiral-wound modules with catalyst packed on the feed side and
sweep gas flowing on the permeate side. This paper presents a detailed
model based on both mass and enthalpy balances as well as pressure
drop to study this intricate reactive separation system. The kinetics
of the WGS reaction was incorporated using a published rate expression
for the commercial CuO/ZnO/Al2O3 catalyst. The
resulting 1-D (cocurrent or countercurrent flow of feed and sweep
streams) or 2-D (crossflow) system of differential equations was solved
using COMSOL Multiphysics. The model was validated by comparing the
predicted CO results with previously published experimental data for
a lab-scale flat rectangular membrane reactor. The effects of the
type of flow mode on concentration and temperature profiles within
the membrane reactor were predicted. Also, a sensitivity study was
carried out to quantify the effects of operating parameters like feed
pressure, sweep to feed flow rate ratio, and steam/CO ratio on membrane
area and hydrogen recovery. Results show that although the countercurrent
flow mode is the most efficient in terms of CO reduction, the crossflow
mode might provide a better trade-off between CO reduction and heat
management. For the countercurrent mode, it was also shown that it
is important to enhance both the CO2 permeance as well
as the catalyst activity to reduce the membrane reactor size.