Modeling and Simulation of Combined CO2 Capture and Hydrogenation to Methanol at Atmospheric Pressure and Low Temperature

Unofficial AI-generated summary based on the public title and abstract. Not an official translation.

🔬研究者:Provides a validated kinetic model for combined CO2 capture and hydrogenation to methanol, useful for process optimization and catalyst development.

🏢実務担当者:Offers insights into operational parameters for maximizing methanol production, potentially applicable to pilot-scale CCU facilities.

Carbon capture and utilization play an important role by converting CO2 emissions to high value fuels and chemicals such as methanol. This work reports the modelling and simulation of the CCU to methanol using a bifunctional catalyst with amine sites for CO2 capture and Pt sites to catalyze the reduction of intermediates to methanol. The bifunctional material exhibited high CO2 capture capacity under post‐combustion conditions at 50°C–70°C and promising methanol formation under dynamic experiments of sequential CO2 capture and hydrogenation steps. CO2 sorption experiments using TGA were employed to extract kinetics for the CO2 capture. Steady‐state CO2 hydrogenation over the bifunctional material was used for the development of the hydrogenation kinetic model. The validation of the kinetic models coupled with a transient reactor model under dynamic conditions showed that the model can predict the transient formation of methanol. A parametric investigation under varying operation conditions highlighted the advantage of isothermal cycles at high temperature with respect to experimental time efficiency and maximized methanol formation rate compromised by the lower capture capacity. Further investigations in material development focusing on the facilitation of the methanol desorption from the pores would significantly improve the combined process and allow more time‐efficient screening protocols.

• semanticscholar https://doi.org/10.1002/cctc.202501318first seen 2026-05-05 23:54:46