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.

吸附增强型水煤气变换 (SEWGS) 将水煤气变换反应与用于制氢和 CO _{2 的}钾促进水滑石 (K-HTC) 吸附剂材料上的CO ₂吸附结合起来捕获。在这里，开发了计算流体动力学 (CFD) 模型来模拟 SEWGS 中考虑填充床和整体反应器的吸附步骤。这项研究的目标是通过使用 3D 打印结构化床反应器来提高 SEWGS 的生产力，而不是传统的填充床反应器，这是由于整料的众所周知的优点，例如较少的传质限制和较低的压降。本文介绍了由实验验证支持的数值建模和模拟工作，以便在 SEWGS 性能方面比较填充床和整体式反应器。使用突破性实验数据验证填充床多尺度 CFD 模型。基于 TNO 使用 3D 打印的 K-HTC 整体结构进行的突破性测量，开发和验证了实验室规模的 CFD 结构化床模型。此外，通过实验室规模反应器的 CFD 建模研究了几何形状对传质效率的影响。将整体模型放大到中试规模可以与填充床技术进行适当的比较。整体反应器模型的突破性预测表明，SEWGS 中的吸附步骤在填充床反应器上的传质速率有相当大的提高，这证明了增强碳捕获技术的潜力。