CO2 adsorption is one of the warm gas cleanup technologies under development for integrated gasification combined cycle (IGCC) applications. Computational Fluid Dynamics (CFD) can be a practical and powerful tool for reactor design for and optimization of the CO2 adsorption process. In this present work, CFD simulation was developed in commercially available ANSYS Fluent software and validated for solid sorbent CO2 capture to investigate pressure swing adsorption (PSA) for CO2 separation from syngas with all the auxiliary operating steps. The adsorption equilibrium and kinetics were incorporated into ANSYS by user defined functions (UDFs) for source terms in Navier-Stokes equations. The CFD model well predicted the CO2 breakthrough curve and temperature change. It was shown that in demo reactor operation, at the end of adsorption step, only half of the sorbent was loaded with CO2, while most of the loaded CO2 was released during the desorption step. Further optimization of sorbent packing and cycle operation can be done with assistance of this CFD model to maximize bed loading, and used to design the commercial size reactors.