Dipole solvation in dielectrics

Research output: Contribution to journalArticle

36 Citations (Scopus)

Abstract

An exact, analytical solution for the linear solvation free energy of a dipolar solute in an arbitrary dielectric material characterized by the microscopic spectrum of fluctuations of its dipolar polarization is formulated. A general formulation of the problem in terms of a solute of an arbitrary shape with an arbitrary charge distribution. Thus, this formulation may provide a basis for numerical calculations of the solvation thermodynamics.

Original languageEnglish (US)
Pages (from-to)1375-1382
Number of pages8
JournalJournal of Chemical Physics
Volume120
Issue number3
DOIs
StatePublished - Jan 15 2004

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Solvation
solvation
solutes
dipoles
formulations
Charge distribution
charge distribution
Free energy
free energy
Thermodynamics
Polarization
thermodynamics
polarization

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Dipole solvation in dielectrics. / Matyushov, Dmitry.

In: Journal of Chemical Physics, Vol. 120, No. 3, 15.01.2004, p. 1375-1382.

Research output: Contribution to journalArticle

Matyushov, Dmitry. / Dipole solvation in dielectrics. In: Journal of Chemical Physics. 2004 ; Vol. 120, No. 3. pp. 1375-1382.
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