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Structral and thermodynamic characteristics and intermolecular interactions in aqueous solutions of diols

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Abstract

The structural and thermodynamic characteristics of aqueous solutions of ethanediol, 1,2-and 1,3-propanediols, and 1,2-and 1,4-butanediols were calculated over the whole range of the compositions of the mixtures. The specific and nonspecific components of the total energy of intermolecular interactions were determined. The boundaries of the concentration regions with different structural organizations of solutions were established, and the parameters of preferable solvation of the solution components were evaluated.

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Authors and Affiliations

  1. Ivanovo State Chemical Engineering University, Russia

    A. M. Zaichikov & G. N. Levochkina

  2. Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo

    M. A. Krest’yaninov

Authors
  1. A. M. Zaichikov
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  2. M. A. Krest’yaninov
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  3. G. N. Levochkina
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Correspondence to A. M. Zaichikov.

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Original Russian Text Copyright © 2007 by A. M. Zaichikov, M. A. Krest’yaninov, and G. N. Levochkina

__________

Translated from Zhurnal Strukturnoi Khimii, Vol. 48, No. 6, pp. 1154–1163, November–December, 2007.

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Zaichikov, A.M., Krest’yaninov, M.A. & Levochkina, G.N. Structral and thermodynamic characteristics and intermolecular interactions in aqueous solutions of diols. J Struct Chem 48, 1089–1098 (2007). https://doi.org/10.1007/s10947-007-0175-9

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  • DOI: https://doi.org/10.1007/s10947-007-0175-9

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