Rigorous development and comparison of multi-dimensional reactor models encompassing the catalyst domains for steam methane reforming

Abstract

Hydrogen is being considered as a possible large-scale carbon-free industrial combustion and transportation fuel. Steam methane reforming (SMR) reaction is the most dominant industrial hydrogen production method. This paper develops comprehensive models and delves into the influences of the multi-dimensional reactor and catalyst domains in SMR. Several single-scale or multi-scale SMR packed-bed reactor models are developed with the Aspen Custom Modeler and solved by the built-in finite difference method. These models are categorized into pseudo-homogeneous and heterogeneous models. This study thoroughly compares and discusses the effects of axial and/or radial mixing due to mass/heat dispersion as well as interfacial and intraparticle mass/heat transport phenomena across various types of reactor-catalyst configurations. Furthermore, insights into the prediction accuracy of each model under various operating conditions are provided. This research fills a gap in the existing literature by developing rigorous dynamic models for SMR reactors to investigate their profiles and performances, offering a clearer understanding of the relative importance of different modeling approaches in predicting the behavior of SMR reactors. The findings provide valuable guidelines for researchers and industry professionals in selecting the appropriate model for their design, analysis, optimization, and control tasks.