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Density Functional Theory and the Capillary Evaporation of a Liquid in a Slit

✍ Scribed by Szabolcs Varga; Dezső Boda; Douglas Henderson; Stefan Sokołowski

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
67 KB
Volume
227
Category
Article
ISSN
0021-9797

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✦ Synopsis

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 versions of the Weeks-Chandler-Andersen (WCA) and the Barker-Henderson (BH) theories. 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 results 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.

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