DENSITY PROFILES OF ASSOCIATING FLUID NEAR A HARD WALL - PY/EMSA AND HNC/EMSA SINGLET THEORY

摘要

A two-component model of hard spheres with a spherically symmetric associative interaction between the particles of different species near a hard wall is studied by using the integral equation method. It is shown that the extended mean spherical approximation for the bulk associating fluid in conjunction with the Percus-Yevick closure of the singlet level theory of inhomogeneous fluids leads to very good agreement of theoretical density profiles with simulation data for highly associated fluid at a high bulk density. [References: 31]