Extension of the optimized RHNC equation to multicomponent liquids

E. Enciso, F. Lado, M. Lombardero, J. L. F. Abascal and S. Lago

J. Chem. Phys. 87, 2249 (1987)

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.