SPICE_MARS: A Process Synthesis Framework for Membrane-Assisted Reactive Separations

Abstract

A membrane reactor (MR) combines reaction and separation phenomena in a single unit and offers an energy-efficient, cost-effective, compact, modular, and sustainable design compared to conventional designs. A systematic design framework can yield such benefits of MRs and increase their adoption in the chemical process industry. To this end, we present SPICE_MARS (synthesis and process intensification of chemical enterprises involving membrane-assisted reactive separations), a software prototype for conceptual design, simulation, synthesis, and optimization of MRs for different process applications. At the conceptual level, we can determine whether MR is desired or not and select which species to convert/separate. At the equipment level, we obtain optimal MR configurations considering different flow arrangements, intensification strategies, membrane types, sweep gases, reactor lengths, membrane areas, and catalyst amounts. Additionally, we can generate rank-ordered lists of optimal reactor configurations for different design objectives. These enabling capabilities are demonstrated using two case studies involving methanol synthesis and methane partial oxidation. In both cases, novel MR designs—achieving drastic improvement compared to current industrial practice—are found.