Industrial & Engineering Chemistry Research · 2007 · 10 citations · 38 references
Natural SciencesChemistryPhysical ChemistrySurface ScienceTheoretical ChemistryEquations Of StateMixture ThermodynamicsPhase EquilibriaPhase EquilibriumSolid-liquid InterfacesSurface TensionBinary MixturesInterfacial Tension ModelingLiquid-liquid EquilibriaMixture Equations Of StatePhase Equilibrium CalculationSolid-liquid Interface ModelingSolid-liquid Interfacial TensionStatistical Mechanics Of Liquids
A new statistical mechanics model is developed to calculate the surface tensions of liquid mixtures, based on an equation of state for chain fluids and the scaled particle theory. Transferrable molecular parameters fitted to experimental phase equilibrium properties are used in this model. The feasibility of the model has been systematically tested in the correlations of 62 binary mixtures and in the predictions of 7 binary and 5 ternary mixtures, including nonassociating, self-associating, and cross-associating systems with overall average absolute relative deviations of 0.31%, 0.86%, and 0.92%, respectively. The accuracy of the new model makes it particularly well-suited in the calculation of surface tensions for a wide range of complex liquid mixtures.
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Statistical Mechanics of Rigid Spheres
Howard Reiss, H. L. Frisch, Joel L. Lebowitz · The Journal of Chemical Physics · 1959 · 1.4K citations
Scaled Particle Theory of Fluid Mixtures
Joel L. Lebowitz, Eugene Helfand · The Journal of Chemical Physics · 1965 · 587 citations
Natural Sciences, Chemistry, Physics +13