The structure of fluids confined to spherical pores: theory and simulation

Abstract

A study of the density profiles of a hard sphere and a Lennard-Jones fluid confined to spherical pores has been carried out using both computer simulation and a density functional proposed by Rickayzen and Augousti. For hard sphere fluids very good agreement between the results of theory and simulation are obtained. For the Lennard-Jones fluid, there is reasonable agreement between theory and simulation at the highest temperature studied (T = 2·01 T c) but the agreement deteriorates as the temperature of the fluid is reduced.