A Microscopic Study of Multicomponent Adsorption Equilibrium in Porous Solids

Abstract

We present Monte Carlo simulation results for the adsorption of binary mixtures of mediane and ethane in graphitic pores and in ‘model solids’ (which are characterised by a distribution of pore sizes). The fluid-fluid interactions are modelled using the truncated Lennard Jones potential, and the fluid-wall interactions are described by the “10–4–3” potential. Ideal Adsorbed Solution (IAS) theory predictions, on both the single pore and model solid levels, are compared with the binary simulation results. For both the single pores and the model solids, IAS theory performed well for pressures up to about 10 bar — although the accuracy of the prediction is seen to vary with pore size.