Experimental studies, molecular simulation and process modelling \simulation of adsorption-based post-combustion carbon capture for power plants: A state-of-the-art review

Adsorption-based post-combustion carbon capture is a promising emerging technology for capturing CO2 emissions from fossil-fueled power plants due to the ease of adsorbent regeneration in comparison with solventbased technologies. To increase its competitiveness, research efforts have focused on the development of new adsorbent materials and processes. This paper presents a state-of-the-art review of such efforts, focusing on lab synthesis and characterization of adsorbent materials, (carbon capture) experimental studies, molecular simulation, process modelling\simulation and techno-economic analysis. Most experimental studies on adsorptionbased post-combustion capture are at bench scale. Just a few experimental studies are at pilot scale. There are currently no commercial deployment of adsorption-based post-combustion capture technology. This review paper points out challenges encountered in these experimental investigations utilizing different adsorbent materials, limiting its commercial deployment. These gaps in experimental investigations need further research especially in the chemical modification of the adsorbent materials to increase the adsorption capacity. Molecular simulation of adsorbents and process modelling\simulation of carbon capture processes are cost-effective and time efficient approaches for the assessment of adsorbents' CO2 capture performance. The review also highlighted the need for more research in the model development of adsorbent materials at molecular scale and the model development of adsorption-based post-combustion process adopting new reactor configurations to further reduce the cost of CO2 capture.