THE DIELECTRIC-CONSTANT AND THE SITE SITE DIRECT CORRELATION-FUNCTION OF THE RISM-2 THEORY FOR POLAR POLYATOMIC MOLECULAR FLUIDS

被引：3

作者：

OHBA, M ^{[1
]}

NOMURA, H ^{[1
]}

机构：

[1] NAGOYA UNIV,SCH ENGN,DEPT CHEM ENGN,CHIKUSA KU,NAGOYA,AICHI 464,JAPAN

来源：

MOLECULAR PHYSICS | 1992年 / 77卷 / 04期

关键词：

D O I：

10.1080/00268979200102701

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 exact expression of the dielectric constant for polar polyatomic molecular fluids is obtained in terns of the site-site direct correlation function. This equation is closely related to the formula of the dielectric constant in terms of the molecular direct correlation function (the Ramshaw equation, Ramshaw, 1972, J. chem. Phys., 57, 2684). We discuss why RISM-1 theory gives a trivial expression for the dielectric constant using equations obtained here, and show that RISM-2 theory leads to a non-trivial result for the dielectric constant of molecular liquids.

引用

页码：689 / 695

页数：7

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