A New Approach in the Theory of Spatially-Restricted Nonlocal Dielectric Media

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TitreA New Approach in the Theory of Spatially-Restricted Nonlocal Dielectric Media
Type de publicationJournal Article
Year of Publication2018
AuteursVorotyntsev M.A, Rubashkin A.A, Antipov A.E
JournalRUSSIAN JOURNAL OF ELECTROCHEMISTRY
Volume54
Pagination879-885
Date PublishedNOV
Type of ArticleArticle
ISSN1023-1935
Mots-clésDielectric permittivity, nonlocal electrostatics, solvation energy, spatial dispersion of dielectric permittivity, volume cutting effect
Résumé

A new method for the calculation of electric field distributions in the systems with spatiallyrestricted regions filled with polar media with nonlocal dielectric characteristics is proposed. The presence of regions with different dielectric properties in the system (as exemplified by the presence of an ion-filled cavity in which there is no polar medium surrounding the ion) is automatically taken into account within this procedure. The field distribution inside a uniform and isotropic nonlocal dielectric medium outside the spherical cavity containing a spherically symmetric charge distribution (the system represents the ion inside the polar solvent) has illustrated this new approach. In contrast to the previously suggested approach (dielectric approximation), where calculations of this characteristic required complex numerical and analytical calculations, the new method requires only single integration in order to determine the distribution of the potential of the electric field inside the polar medium with an arbitrary law of spatial dispersion of its dielectric permittivity (which can be specified eithter analytically or numerically).

DOI10.1134/S1023193518130505