New Model for the Correlation of the Surface Tension Based on Friction Theory

A new correlation method for the surface tension of fluids is proposed, which is based on friction theory applied to the interface of a two-phase system. The substance properties enter the model by a regular equation of state. Here we derive the method and test it with the Lennard-Jones 12-6 fluid a...

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Bibliographic Details
Published inThe journal of physical chemistry. B Vol. 113; no. 11; pp. 3504 - 3511
Main Authors Quiñones-Cisneros, S. E, Deiters, U. K, Rozas, R. E, Kraska, T
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 19.03.2009
Subjects
B: Statistical Mechanics, Thermodynamics, Medium Effects
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Summary:A new correlation method for the surface tension of fluids is proposed, which is based on friction theory applied to the interface of a two-phase system. The substance properties enter the model by a regular equation of state. Here we derive the method and test it with the Lennard-Jones 12-6 fluid as the reference system using molecular dynamics simulations of the vapor−liquid interface in combination with a new Lennard-Jones 12-6 equation of state. Further correlations of experimental surface tension data based on the Peng−Robinson and the PC-SAFT equations of state are presented. As a result, we find that the method allows an accurate correlation of the surface tension of pure fluids.
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ISSN:1520-6106
1520-5207
DOI:10.1021/jp8073255