Optimization of Carbon Dioxide Utilization: Simulation-Based Analysis of Reverse Water Gas Shift Membrane Reactors

This study focuses on optimizing the Reverse Water Gas Shift (RWGS) reaction system using a membrane reactor to improve CO₂ conversion efficiency. A one-dimensional simulation model was developed using FlexPDE Professional Version 8.01/W64 software to analyze the performance of ZSM-5 membranes integrated with 0.5 wt% Ru-Cu/ZnO/Al₂O₃ catalysts. The results show that the membrane reactor significantly outperforms the conventional Packed Bed Reactor by achieving higher CO₂ conversion (0.61 vs. 0.99 with optimized parameters), especially at lower temperatures, due to its ability to remove H₂O and shift the reaction equilibrium selectively. Key operational parameters, including temperature, pressure, and sweep gas flow rate, were optimized to maximize membrane reactor performance. The ZSM-5 membrane showed strong H₂O selectivity, with an optimum operating temperature of around 400-600 °C. The problem is that many reactants permeate at higher temperatures. Subsequently, a Half-MPBR design was introduced. This design was able to overcome the reactant permeation problem and increase the conversion. The conversion ratios for PBR, MPBR, and Half-MPBR are 0.71, 0.75, and 0.86, respectively. This work highlights the potential of membrane reactors to overcome the thermodynamic limitations of RWGS reactions and provides valuable insights to advance Carbon Capture and Utilization technologies.