A ‘‘RISM’’ theory for multicomponent molecular fluids

Publisher Website
Google Scholar
Abstract
The Chandler–Andersen RISM theory is extended to multicomponent molecular fluids made up of molecules consisting of fused hard spheres. Following these authors the diagram technique, as formulated by Morita and Hiroike, is used to obtain the RISM equation for mixtures. This equation is solved for a binary mixture formed by hard spheres and homonuclear hard-sphere diatomics; the correlation functions obtained are used to investigate structural properties of Ar/N2 mixtures. The behavior of the correlation functions with density, molecular geometry, and concentration in an arbitrary atomic/diatomic mixture are also examined.