Molecular Thermodynamics of Adsorption

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Adsorption of gases on solid surfaces is studied using molecular theory. The primary focus is on understanding the relationship between effects of surface structure and adsorbate-adsorbate interactions in adsorption equilibria. Two complementary thrusts are pursued. The first concerns the development and application of theories of adsorption equilibria for multicomponent systems. Of particular interest is the influence of surface structure on non-ideal behavior in adsorbed solutions. The second thrust is concerned with the molecular based computer simulation of adsorbed layers. The layers on highly structured surfaces. This work will be extended to multicomponent systems and multilayer adsorption.