Multicomponent fluid of hard spheres near a wall

Alexandr Malijevsky, Santos B. Yuste, Andres Santos, Mariano Lopez de Haro

Published 2007-02-12, updated 2007-04-07Version 2

The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio 1:3 in which both components occupy a similar volume are specifically examined. The results indicate that the present version of density functional theory yields an excellent overall performance. A reasonably accurate behavior of the rational function approximation method is also observed, except in the vicinity of the first minimum, where it may even predict unphysical negative values.