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Phys. Rev. Lett. 75, 2694 - 2697 (1995)

Self-Consistent Treatment of Repulsive and Attractive Forces in Nonuniform Liquids

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John D. Weeks1, Robin L. B. Selinger2, and Jeremy Q. Broughton3
1Institute for Physical Science and Technology and Department of Chemistry, University of Maryland, College Park, Maryland 20742
2National Institute of Standards and Technology, Gaithersburg, Maryland 20899
3Naval Research Laboratory, Washington, D.C. 20375

Received 19 July 1995

Structural and thermodynamic properties of a nonuniform liquid are related to those of a reference fluid with purely repulsive intermolecular forces in an external field. A new equation for that field derived from the Yvon-Born-Green hierarchy permits a self-consistent description of correlations induced by the exact repulsive forces and a mean field treatment of the attractive forces. Predictions of the theory for drying effects at repulsive walls and for the liquid-vapor interface are compared to molecular dynamics simulations.


©1995 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.75.2694
DOI: 10.1103/PhysRevLett.75.2694
PACS: 61.20.Gy, 68.10.Cr, 68.45.Gd

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