Density-functional theory for inhomogeneous fluids: Adsorption of binary mixtures

E. Kierlik and M. L. Rosinberg
Phys. Rev. A 44, 5025 – Published 1 October 1991
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Abstract

The nonlocal-density-functional theory for hard-sphere mixtures proposed in an earlier paper [Phys. Rev. A 42, 3382, (1990)] is used to investigate the structure and the thermodynamics of binary simple liquid mixtures adsorbed on substrates. We study (i) the adsorption of Lennard-Jones fluids in slit-shaped pores with varying pore size, (ii) the selective adsorption of liquid argon-methane mixtures onto a planar graphite surface at constant pressure, (iii) the density profiles of charged hard spheres in the vicinity of a highly charged hard wall (primitive model of the electrical double layer). We compare our calculations to computer-simulation data and to the predictions of other recent theories. In all cases, packing effects are very well described by the theory, and most discrepancies can be ascribed to the mean-field treatment of attractive forces.

  • Received 21 February 1991

DOI:https://doi.org/10.1103/PhysRevA.44.5025

©1991 American Physical Society

Authors & Affiliations

E. Kierlik and M. L. Rosinberg

  • Laboratoire de Structure et Reactivité aux Interfaces, Université Pierre et Marie Curie, Bâtiment F, 4 place Jussieu, 75230 Paris CEDEX 05, France

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Vol. 44, Iss. 8 — October 1991

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