Hydrogen production from methane steam reforming: parametric and gradient based optimization of a Pd-based membrane reactor

In this work three mathematical models for methane steam reforming in membrane reactors were developed. The first one is a steady state, non isothermal, non isobaric and one dimensional model derived from material and energy balances and validated using experimental data from the literature. It is referred as full model. The influence of two different intrinsic kinetics available, as well as, the influence of five important parameters on methane conversion (X_CH4_{\mathrm{CH}_{4}}) and hydrogen recovery (Y_H2_{\mathrm{H}_{2}}) were parametrically evaluated through simulations. The second model, referred as meta-model, was obtained though the response surface technique. This meta-model was included into a constrained optimization problem solved using NPSOL. The third model, referred as a simplified model, takes into account only mass balances from the full model. Using this model, a gradient based method (DIRCOL) was used to perform the optimization of the sum of methane conversion and hydrogen recovery. High methane conversions and hydrogen recoveries were reached through these methodologies.