Solvation energy of ions and dipoles in a finite number of solvent shells

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Abstract

The contribution of a polar solvent in solvent in thermodynamic equilibriuum to the solvation free energy of a dipole and of an ion are estimated anarytically as funtion of distance within the framework of the mean-sphereical approximation theory and compared to the analogous results derived from simple electroatical arguments. For equal-sized solute and solvent molecules. accumulanting 90% of the total enrgy in media of moderate polarity involves ∼1 and ∼7 solvent shells for dipole and ion solvation, respectively. For solvents characterized by high values of ε only upper bounds for the energy relevant to the solvent range can be stated. Relative to the continuum picture, the MSA calculation predicts an increase of the coupling range by ∼50%, without a significant dependence on the dielectric constant ε.

Original languageEnglish (US)
Pages (from-to)6185-6190
Number of pages6
JournalJournal of Physics Condensed Matter
Volume8
Issue number34
DOIs
StatePublished - Aug 19 1996
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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