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Wetting and drying transitions in mean-field theory: Describing the surface parameters for the theory of Nakanishi and Fisher in terms of a microscopic model
Author(s) -
Joris Kuipers,
Edgar M. Blokhuis
Publication year - 2009
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.3184613
Subject(s) - wetting , density functional theory , mean field theory , surface (topology) , square lattice , molecular dynamics , thermodynamics , physics , field theory (psychology) , statistical physics , condensed matter physics , mathematics , mathematical physics , quantum mechanics , ising model , geometry
The theory of Nakanishi and Fisher [Phys. Rev. Lett. 49, 1565 (1982)] describes the wetting behavior of a liquid and vapor phase in contact with a substrate in terms of the surface chemical potential h(1) and the surface enhancement parameter g. Using density functional theory, we derive molecular expressions for h(1) and g and compare with earlier expressions derived from Landau lattice mean-field theory. The molecular expressions are applied to compare with results from density functional theory for a square-gradient fluid in a square-well fluid-substrate potential and with molecular dynamics simulations.

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