Induction effects in polar-polarizable liquid mixtures: Calculation of thermodynamic properties using renormalized perturbation theory

We generalize Wertheim's renormalized perturbation theory for polar, polarizable fluids to mixtures. The generalized theory is used to calculate the thermodynamic excess functions and phase equilibria for a variety of polar/non-polar and polar/polar mixtures. The results demonstrate the importa...

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Veröffentlicht in:Molecular physics 1984-08, Vol.52 (6), p.1411-1429
Hauptverfasser: Venkatasubramanian, V., Gubbins, K.E., Gray, C.G., Joslin, C.G.
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Sprache:eng
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Zusammenfassung:We generalize Wertheim's renormalized perturbation theory for polar, polarizable fluids to mixtures. The generalized theory is used to calculate the thermodynamic excess functions and phase equilibria for a variety of polar/non-polar and polar/polar mixtures. The results demonstrate the importance of including induction effects in a proper description of mixtures, and show the superiority of the 1-R form of the theory (which includes higher order multibody effects) over the 0-R form. Comparisons are made with experimental data for methyl chloride/xenon mixtures.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268978400102011