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Multicomponent fluid of hard spheres near a wall

Alexandr Malijevsky·Santos B. Yuste·Andres Santos·Mariano Lopez de Haro
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Abstract

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.

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Alexandr Malijevsky, Santos B. Yuste, Andres Santos, Mariano Lopez de Haro. 2007-04-07. Multicomponent fluid of hard spheres near a wall. https://doi.org/10.1103/physreve.75.061201

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