Assessment of CO2 capture efficiency in packed bed versus 3D-printed monolith reactors for SEWGS using CFD modeling

Abstract Sorption Enhanced Water-Gas Shift (SEWGS) couples the water gas-shift reaction with CO2 adsorption on potassium-promoted hydrotalcite (K-HTC) sorbent material for hydrogen production and CO2 capture. Here, computational fluid dynamics (CFD) models are developed to simulate the adsorption step in SEWGS considering both packed bed and monolith reactors. The goal of this research is increasing SEWGS productivity by using 3D-printed structured bed reactors, as opposed to conventional packed bed reactors, due to the well-known advantages of monoliths, such as less mass transfer limitations and lower pressure drops. The paper presents numerical modeling and simulation work supported by experimental validation in order to compare packed bed and monolith reactors with respect to SEWGS performance. The packed bed multiscale CFD model is validated using breakthrough experimental data. A bench-scale CFD structured bed model is developed and validated based on breakthrough measurements performed by TNO using 3D-printed K-HTC monolith structures. Furthermore, geometry effects on mass transfer efficiency are investigated through CFD modeling for the bench-scale reactor. A scale-up of the monolith model to pilot-scale allows for a proper comparison with the packed bed technology. Monolith reactor model breakthrough predictions show there is a considerable increase in mass transfer rate over the packed bed reactor for the adsorption step in SEWGS, demonstrating promising potential towards enhancing the carbon capture technology.