Multicomponent fluid of hard spheres near a wall.
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.
E. Hála Laboratory of Thermodynamics, Academy of Science of the Czech Republic, Prague 6, Czech Republic. malijevsky@icof.cas.cz
Alexandr
A
Malijevský
Santos B
SB
Yuste
Andrés
A
Santos
Mariano
M
López de Haro