Extension of the optimized RHNC equation to multicomponent liquids

Abstract

We have extended the optimized reference-hypernetted chain formalism to multicomponent liquids. The reference system is constructed from a mixed hard spheres fluid with additive diameters whose structural and thermodynamic properties have been conveniently parametrized. The theory is applied to binary liquid mixtures interacting through a repulsive Lennard-Jones potential as well as the complete Lennard-Jones potential; calculated results are in excellent agreement with those of numerical simulations.