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The VIM theory of molecular thermodynamics: Part II: Analytic equation of state of polar fluids
Author(s) -
Alem A. H.,
Mansoori G. A.
Publication year - 1984
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690300317
Subject(s) - thermodynamics , equation of state , chemistry , polar , intermolecular force , butane , function (biology) , statistical mechanics , chemical polarity , non equilibrium thermodynamics , dipole , physics , molecule , organic chemistry , quantum mechanics , evolutionary biology , biology , catalysis
Variational inequality minimization (VIM) theory of statistical mechanics is used to derive analytic equations of state for polar fluids. For the pair‐intermolecular potential energy function in the formulation of this theory, the Lennard‐Jones, dipolar, quarupolar, and dipolar‐quadrupolar interactions are used. For the three‐body potential Axilrod‐Teller function is used. The VIM theory has made it possible to derive algebraically analytic expressions for the thermodynamic functions of polar fluids. Thermodynamic properties of carbon dioxide, methyl chloride, ethane, hexane, iso‐butane, and sulfur dioxide in the liquid and vapor phases are predicted with the use of the VIM equation of state. The results of the predictions are shown to be in very good agreement with the experimental data for majority of the fluids which are studied.