Dielectric response of solvent surrounding an ion pair: Ewald potential versus spherical truncation

被引：28

作者：

DelBuono, GS

Figueirido, FE

Levy, RM

机构：

[1] Department of Chemistry, Rutgers, State University of New Jersey, Piscataway

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 263卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(96)01234-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The solvent dielectric response has been evaluated for a system of two oppositely charged ions in aqueous solution. When the Ewald potential is used to model the long-range interactions, the correct high dielectric shielding of the ions by the water is obtained by either of two methods; from the ion charging free energies, or the slope of the ion-ion potential of mean force in the asymptotic region. In contrast, simply truncating the Coulomb interactions leads to unphysical dielectric behavior.

引用

页码：521 / 529

页数：9

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