Structure of binary hard-sphere mixtures near a hard wall: A simple weighted-density-functional approach

Authors
Citation
Cn. Patra, Structure of binary hard-sphere mixtures near a hard wall: A simple weighted-density-functional approach, J CHEM PHYS, 111(14), 1999, pp. 6573-6578
Citations number
32
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
14
Year of publication
1999
Pages
6573 - 6578
Database
ISI
SICI code
0021-9606(19991008)111:14<6573:SOBHMN>2.0.ZU;2-6
Abstract
The structure of binary hard-sphere mixtures near a hard wall is studied us ing a density functional theory. The formalism is based on a simple weighte d density approach for the one-particle correlation functions of the nonuni form system, and requires as input only the one- and two-particle direct co rrelation functions of the corresponding uniform system. The approach is de signed in a way, where the weight function is decoupled from the weighted d ensity. Numerical results on the density profiles are shown to compare well with available simulation data. (C) 1999 American Institute of Physics. [S 0021-9606(99)50738-1].