A reformulation of the Percus-Yevick approximation for the density profile of a fluid of non-spherical molecules in contact with solid surfaces

Abstract

A numerical procedure that puts the practice of solution of the linear Percus-Yevick equation for the density profile of a fluid of non-spherical molecules on a par with that of one component fluids is described. The essential element is an expansion in spherical harmonics. Illustrative calculations for a hard dumbell fluid in contact with a Lennard-Jones (9, 3) wall are presented.