Density functional theory and the capillary evaporation of a liquid in a slit

Citation
S. Varga et al., Density functional theory and the capillary evaporation of a liquid in a slit, J COLL I SC, 227(1), 2000, pp. 223-226
Citations number
27
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF COLLOID AND INTERFACE SCIENCE
ISSN journal
00219797 → ACNP
Volume
227
Issue
1
Year of publication
2000
Pages
223 - 226
Database
ISI
SICI code
0021-9797(20000701)227:1<223:DFTATC>2.0.ZU;2-#
Abstract
Density functional theory is applied to a Lennard-Jones fluid near a single hard wall and in a slit formed by two walls. We use some simplified versio ns of the Wecks-Chandler-Andersen (WCA) and the Barker-Henderson (BH) theor ies. Only the most crude mean field version of the WCA theory, in which the hard-sphere correlation function is set equal to unity for all distances, seems useful. Use of the full WCA approximation is impractical because the effective hard-sphere diameter is density dependent. Generally, the best re sults are obtained using the BH macroscopic compressibility approximation. Our earlier study of "evaporation" of Lennard-Jones molecules in a slit is extended to other densities using the mean field theory. (C) 2000 Academic Press.