Weighted-density-functional theory of nonuniform fluid mixtures: Application to the structure of binary hard-sphere mixtures near a hard wall
- 1 December 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 44 (12) , 8242-8248
- https://doi.org/10.1103/physreva.44.8242
Abstract
A computationally practical density-functional theory of nonuniform fluid mixtures ‘‘designed primarily for the study of interfacial phenomena’’ is presented and applied to the structure of a binary hard-sphere mixture near a hard wall. The theory is based on a weighted-density approximation for the one-particle direct correlation functions of the nonuniform system, and requires as input only the one- and two-particle direct correlation functions of the corresponding uniform system. Numerical results for density and concentration profiles are presented and compared with available simulation data.Keywords
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