Free-energy density functional for the inhomogeneous hard-sphere fluid: Application to interfacial adsorption

E. Kierlik and M. L. Rosinberg
Phys. Rev. A 42, 3382 – Published 1 September 1990
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Abstract

We propose a simplified version of the free-energy density functional for the inhomogeneous hard-sphere fluid mixture recently derived by Rosenfeld [Phys. Rev. Lett. 63, 980 (1989)]. This new functional, which requires four distinct weight functions, generates a triplet-direct-correlation function for the one-component fluid, which is in good agreement with Monte Carlo simulation results. It also performs well in describing the density profile of the hard-sphere fluid in contact with hard and soft walls. Yet, it is not suitable for studying the freezing transition.

  • Received 30 January 1990

DOI:https://doi.org/10.1103/PhysRevA.42.3382

©1990 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. 42, Iss. 6 — September 1990

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