Generalized mean field theory of molecular liquids. II. Thermodynamic properties

Abstract

The generalized mean field (GMF) theory for the angular pair correlation function g(rω 1 ω 2 ) for a molecular fluid, derived in an earlier paper, is applied to the calculation of the fluid thermodynamic properties. Explicit expressions are derived for the contribution of the anisotropic intermolecular forces to the free energy, energy, and pressure of the fluid. Numerical results are presented for a fluid with Lennard-Jones plus quadrupole–quadrupole interaction, and are compared to computer simulation and to perturbation theory (Padé) results.