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

Szabolcs Varga, Dezso Boda, Douglas Henderson, Stefan Sokołowski

Research output: Contribution to journalArticle

26 Citations (Scopus)

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 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. (C) 2000 Academic Press.

Original languageEnglish
Pages (from-to)223-226
Number of pages4
JournalJournal of colloid and interface science
Volume227
Issue number1
DOIs
Publication statusPublished - Jul 1 2000

Keywords

  • Capillary evaporation
  • Density functional theory
  • Inhomogeneous fluids
  • Pore
  • Slit

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Biomaterials
  • Surfaces, Coatings and Films
  • Colloid and Surface Chemistry

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