Multicomponent and multi-dimensional modeling and simulation of adsorption-based carbon dioxide separation

We simulated the adsorption process at high temperature-low pressure and low temperature-high pressure conditions as well as the pressure swing adsorption. For adsorption of CO2/N2 and CO2/H2 mixtures, Toth and Viral models are used calculate equilibrium isotherms. The breakthrough curves obtained from the simulations compare well with the experimental data. Moreover, the effects of aspect ratio and geometric shapes were studied. The results show that varying the bed aspect ratio from 7.77 to 2 has an insignificant effect on the adsorption capacity and performance.