MONTE-CARLO SIMULATIONS OF ADSORPTION IN A SLITLIKE PORE FOR BINARY-MIXTURES OF BUTANE AND CARBON-DIOXIDE AT SUPERCRITICAL CONDITIONS

The Gibbs ensemble MC method has been used for computing adsorption eq uilibria for binary mixtures of butane and CO2 in a slitpore of width 2 nm at 344.3 K and two pressures, 6 and 10 MPa. The adsorption of but ane from supercritical CO2 decreases with increasing pressure while th e adsorption of CO2 increases with increasing pressure; the enhanced s olubility in supercritical CO2 has been illustrated for the major reas on of the adsorption decrease of butane. The local density profile and the radial distribution functions in a pore are shown for each compon ent. Three-dimensional graphics is shown to be a powerful technique fo r representing the radial distribution functions to understand the mol ecular structure in a slitpore.