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Inversion of the Kirkwood–Buff Theory of Solutions: Application to Tetrahydrofuran + Aromatic Hydrocarbon Binary Liquid Mixtures

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Abstract

The Kirkwood–Buff (K-B) integrals play an important role in characterizing the intermolecular interactions in liquid mixtures. The interaction is represented by the K-B parameters, G AA,G BB, and G AB, which reflect correlation between like-like and like-unlike species in the mixture. The K-B integrals of binary mixtures of tetrahydrofuran with benzene, toluene, o-xylene, m-xylene, p-xylene and mesitylene at 298.15 K and atmospheric pressure have been computed from the experimental data of ultrasonic speed and density. We have used the similar inverse procedure (as proposed by Ben-Naim) to compute the K-B parameters of the mixture, in which thermodynamic information on mixtures, such as partial molar volumes, isothermal compressibility and experimental data of partial vapor pressures were used. A new route has been incorporated by using regular solution theory in the computation of excess Gibbs energy for obtaining the partial vapor pressures of binary liquid mixtures. The low values of excess entropy, S E≈0, obtained for these mixtures indicate the applicability of regular solution theory to the mixtures. The values of the K-B parameter, G AB, obtained using this procedure indicate that the correlation/affinity between THF and aromatic hydrocarbon molecules follows the order: benzene > toluene > o-xylene > m-xylene > p-xylene > mesitylene, which is in good agreement with the results obtained from the trends exhibited by the excess functions of these mixtures.

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  1. Department of Chemistry, Dyal Singh College (University of Delhi), New Delhi, 110 003, India

    Anil Kumar Nain

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Nain, A.K. Inversion of the Kirkwood–Buff Theory of Solutions: Application to Tetrahydrofuran + Aromatic Hydrocarbon Binary Liquid Mixtures. J Solution Chem 37, 1541–1559 (2008). https://doi.org/10.1007/s10953-008-9326-7

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  • DOI: https://doi.org/10.1007/s10953-008-9326-7

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