Phase diagrams of interaction site fluids

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Abstract
We present results for the vapour-liquid coexistence properties of dipolar diatomic fluids modelled using interaction site potentials, calculated via a recently developed theory which is based upon resummations of interaction site cluster expansions. The model under consideration is a homonuclear diatomic with site-site Lennard-Jones interactions and dipole-dipole interactions produced by the presence of a discrete charge distribution obtained by placing a positive charge on one site and a negative charge upon the other. The theory includes contributions to the free energy beyond first order through resummation of the interaction site cluster expansions of the correlation functions and the Helmholtz free energy. The theoretical results are used to describe the effects of molecular shape and polarity upon the phase diagram.