Pertubation theory for systems with strong short-ranged interactions |
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Authors: | Per SillrÉn Jean-Pierre Hansen |
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Affiliation: | Department of Chemistry , University of Cambridge , Lensfield Road, Cambridge CB2 1EW, UK |
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Abstract: | We propose a variant of thermodynamic perturbation theory based on the Mayer f-function which is applicable to strongly repulsive, and even singular interactions. The expansion of the free energy is successfully tested against known ‘exact results’ for hard-sphere fluids, and then applied to binary mixtures of particles with non-additive hard cores or shouldered potentials. The resulting phase diagrams agree well with existing simulation data and theoretical predictions. |
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