Review on computational fluid dynamics (CFD) modeling and simulation of CO2 adsorption

Abstract

The increasing emission of carbon dioxide (CO₂) into the environment has a significant influence on increasing global warming. The widely used carbon capture technologies (CCTs), including adsorption, absorption, cryogenics and membrane separation, have been reported previously through both experimental and simulation studies. Simulation studies are particularly considered essential tools for investigating the performance of the process from various aspects, as well as for predicting the complex behavior in any real system without actual experimental setups. This review mainly focuses on the recent advancements in computational fluid dynamics (CFD), modeling and simulation as a transformative tool for optimizing CO₂ adsorption processes. The fundamentals of CFD with their role in accurately simulating complex phenomena involved in the CO₂ adsorption are discussed. Parametric sensitivity analysis, hydrodynamics, kinetic and adsorption isotherms are thoroughly studied, and critical challenges, including mesh independence, model complexity, and scalability, are also addressed. The future research directions proposed include the integration of CFD with machine learning algorithms, the development of multi-scale models, and the deployment of CFD methodologies to industrial-scale applications.