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.
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.
Kuipers
Joris
J
Colloid and Interface Science, Leiden Institute of Chemistry, Gorlaeus Laboratories, P.O. Box 9502, 2300 RA Leiden, The Netherlands. j.kuipers@chem.leidenuniv.nl
Blokhuis
Edgar M
EM