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Choice of basis mixtures for the prediction of vapor-liquid equilibria using the UNIFAC model

T.M. Kushner, G. Z. Fainburg, T.A. Vitman, Л. А. Серафимов

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Abstract

A link was established between the accurate prediction of vapor-liquid equilibria and azeotropes using the UNIFAC group model and the choice of the basis information. The component activity coefficients are plotted as functions of composition for all the sets of data in each binary system. The activity coefficients at infinite dilution are determined as graphical extrapolations of these plots. The plot for the butanol-hydrocarbon system is shown. It is shown that azeotrope parameters can be used as the basis information to predict vapor-liquid equilibria for several sets of systems.

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What this paper is about

A link was established between the accurate prediction of vapor-liquid equilibria and azeotropes using the UNIFAC group model and the choice of the basis information. The component activity coefficients are plotted as functions of composition for all the sets of data in each binary system. The activity coefficients at infinite dilution are determined as graphical extrapolations of these plots. The plot for the butanol-hydrocarbon system is shown. It is shown that azeotrope parameters can be used as the basis information to predict vapor-liquid equilibria for several sets of systems.

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Available abstract

A link was established between the accurate prediction of vapor-liquid equilibria and azeotropes using the UNIFAC group model and the choice of the basis information. The component activity coefficients are plotted as functions of composition for all the sets of data in each binary system. The activity coefficients at infinite dilution are determined as graphical extrapolations of these plots. The plot for the butanol-hydrocarbon system is shown. It is shown that azeotrope parameters can be used as the basis information to predict vapor-liquid equilibria for several sets of systems.

Key concepts: UNIFAC, Activity coefficient, Azeotrope, Thermodynamics, Basis (linear algebra), Dilution, Chemistry, Vapor–liquid equilibrium

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