Induced-dipole contributions to the conductivity and dielectric response of molten ZnCl2

被引：17

作者：

Gray-Weale, A ^{[1
]}

Madden, PA ^{[1
]}

Wilson, M ^{[1
]}

机构：

[1] Univ Oxford, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 16期

关键词：

D O I：

10.1063/1.1310602

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：

A molecular dynamics simulation of molten ZnCl2 with a realistic interionic potential is used to evaluate the contribution of interaction-induced dipoles to the dielectric response, or equivalently, to the conductivity. The induced dipoles are included self-consistently in the interionic potential. The contribution is found to be significant across the accessible range of frequencies, modifying various features of the spectrum ordinarily attributed to elementary translations of the ionic charges, and markedly improving agreement with experimental spectra. (C) 2000 American Institute of Physics. [S0021-9606(00)50440-1].

引用

页码：6782 / 6787

页数：6

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