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Nonlocal electrostatic theory of ion solvation: A combination of the overscreening effect in the dielectric response of the medium with a smeared ion charge distribution

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Abstract

Factors responsible for the considerable decrease in the solvation energy values calculated by Kornyshev and Sutmann using the “smeared Born sphere” model have been examined. The W values for the charge density distribution selected by Kornyshev and Sutmann and for the same distribution but confined within the ion cavity have been compared. This comparison enables the conclusion that charge smearing into the ion cavity leads only to an increase in solvation energy, and the predicted values can only be decreased down to the experimental ones for the dielectric response of a medium with the overscreening effect if the ion charge density is assumed to extend substantially beyond the cavity into the region occupied by the solvent.

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Authors and Affiliations

  1. Institute of Cytology, Russian Academy of Sciences, Tikhoretskii pr. 4, St. Petersburg, 194064, Russia

    A. A. Rubashkin

  2. Institute of Problems of Chemical Physics, Russian Academy of Sciences, pr. Akademika Semenova 1, Chernogolovka, Moscow oblast, 142432, Russia

    M. A. Vorotyntsev, E. M. Antipov & Academician S. M. Aldoshin

  3. Moscow State University, Moscow, 119991, Russia

    M. A. Vorotyntsev, E. M. Antipov & Academician S. M. Aldoshin

  4. Mendeleev Institute of Chemical Technology of Russia, Miusskaya pl. 9, Moscow, 125047, Russia

    M. A. Vorotyntsev & E. M. Antipov

  5. Institute of Molecular Chemistry of the University of Burgundy (ICMUB, UMR 6302 CNRS), Université de Bourgogne, UFR Sciences et Techniques, 9 avenue Alain Savary, 21078, Dijon Cedex, France

    M. A. Vorotyntsev

Authors
  1. A. A. Rubashkin
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  2. M. A. Vorotyntsev
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  3. E. M. Antipov
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  4. Academician S. M. Aldoshin
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Correspondence to A. A. Rubashkin.

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Original Russian Text © A.A. Rubashkin, M.A. Vorotyntsev, E.M. Antipov, S.M. Aldoshin, 2015, published in Doklady Akademii Nauk, 2015, Vol. 464, No. 1, pp. 56–60.

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Rubashkin, A.A., Vorotyntsev, M.A., Antipov, E.M. et al. Nonlocal electrostatic theory of ion solvation: A combination of the overscreening effect in the dielectric response of the medium with a smeared ion charge distribution. Dokl Phys Chem 464, 198–201 (2015). https://doi.org/10.1134/S0012501615090031

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  • DOI: https://doi.org/10.1134/S0012501615090031

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