The role of attractive intermolecular forces in the density functional theory of inhomogeneous fluids
- 1 April 1992
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (7) , 5441-5447
- https://doi.org/10.1063/1.462727
Abstract
The density functional theory of Meister and Kroll for nonuniform simple fluids [Phys. Rev. A 3 1, 4055, (1985)] is modified in order to take into account pair correlations in the attractive energy term. The theory is applied for the calculation of density profiles of argon in the case of the free liquid surface and in the case of adsorption on ‘‘solid carbon dioxide.’’ For the gas–liquid interface the theory yields dew and bubble densities, which are in good agreement with computer simulations. For the adsorption of argon on solid CO2, the first‐order thin‐film to thick‐film transition is confirmed.Keywords
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