Extended version of the van der Waals capillarity theory

An extended version of the van der Waals capillarity theory describing the liquid-vapor interface in the temperature range from the triple to the critical point is suggested. A model functional of thermodynamic potential for a two-phase Lennard-Jones system taking into account the effect of the high...

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Veröffentlicht in:The Journal of chemical physics 2004-11, Vol.121 (17), p.8594-8601
Hauptverfasser: Baidakov, V G, Boltachev, G Sh
Format: Artikel
Sprache:eng
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Zusammenfassung:An extended version of the van der Waals capillarity theory describing the liquid-vapor interface in the temperature range from the triple to the critical point is suggested. A model functional of thermodynamic potential for a two-phase Lennard-Jones system taking into account the effect of the highest degree terms of gradient expansion has been constructed. The identity of the thermodynamic and the mechanical definition of Tolman's length has been proved in the framework of the adopted form of functional. The properties of nuclei of the liquid and the vapor phase are described. The paper determines: the work of formation of a nucleus, density profiles, size dependences of the surface tension, and the parameter delta in the Gibbs-Tolman-Koenig-Buff equation.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1789920