Abstract

Monte Carlo computer simulations of monolayer adsorption of a gas on a solid surface are described in which the potential distribution method was used to directly calculate the adsorption isotherms. The systems studied were the two-dimensional, Lennard-Jones fluid and such a fluid in external potentials chosen to represent the interactions of the adsorbate molecules with exposed faces of an inert fcc crystal. The adsorption isotherms for the structured surfaces show a substantial influence of the surface corrugation upon the adsorption equilibria. The results demonstrate that the potential distribution method is a useful approach to studying adsorption equilibria.

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