Multicomponent fluid of hard spheres near a wall

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

Multicomponent fluid of hard spheres near a wall

Authors

Malijevsky, Alexandr

Yuste, Santos B.

Santos, Andres

de Haro, Mariano Lopez

Description

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.
10 pages, 5 figures; v2: minor changes; Fig. 5 is new; to be published in PRE