Classical density functional theory of orientational order at interfaces: Application to water

Khuloud Jaqaman; Kagan Tuncay; Peter J. Ortoleva

doi:10.1063/1.1630012

Classical density functional theory of orientational order at interfaces: Application to water

Khuloud Jaqaman, Kagan Tuncay, Peter J. Ortoleva

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

A field theoretical approach was used to devise a phenomenological expression for the Helmholtz free energy of fluids that accounts for molecular structures. The expression contains a sufficient number of terms to model the phenomenon of interest. This approach was applied to determine the position-orientation density of water molecules at the liquid-vapor interface.

Original language	English (US)
Pages (from-to)	926-938
Number of pages	13
Journal	Journal of Chemical Physics
Volume	120
Issue number	2
DOIs	https://doi.org/10.1063/1.1630012
State	Published - Jan 8 2004

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.1630012

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abstract = "A field theoretical approach was used to devise a phenomenological expression for the Helmholtz free energy of fluids that accounts for molecular structures. The expression contains a sufficient number of terms to model the phenomenon of interest. This approach was applied to determine the position-orientation density of water molecules at the liquid-vapor interface.",

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Classical density functional theory of orientational order at interfaces: Application to water

Abstract

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