Effective spherical potentials for molecular fluids

J.W. Austin Physical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, England

P. Dominick Physical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, England

E.B. Smith Physical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, England

A.R. Tindell Physical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, England

B.H. Wells Physical Chemistry Laboratory, South Parks Road, Oxford, OX1 3QZ, England

Abstract

A method is described by which second virial coefficient data from an anisotropic potential can be used to define an effective spherical potential. Equilibrium liquid state properties are calculated using this effective spherical potential and found to agree closely with those obtained from the original anisotropic potential.

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Effective spherical potentials for molecular fluids

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