COMPUTER-SIMULATION STUDY OF THE SURFACE POLARIZATION OF PURE POLAR LIQUIDS

被引：38

作者：

BRODSKAYA, EN

ZAKHAROV, VV

机构：

[1] Department of Chemistry, St. Petersburg University, Petrodvoretz, St. Petersburg

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 102卷 / 11期

关键词：

D O I：

10.1063/1.469507

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：

Clusters containing 64 molecules of water or bromine were investigated by the molecular dynamics method. Several water models and a bromine model were taken into consideration in order to test the modern theory of the surface potential of polar liquid and to find out the dipole and quadrupole contribution to this potential. The results of the simulations confirm strongly the theoretical conclusion that equally with the dipole contribution there is a purely quadrupolar contribution to the surface potential. © 1995 American Institute of Physics.

引用

页码：4595 / 4599

页数：5

共 20 条

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