INTEGRAL EQUATION COMPUTATIONS FOR AQUEOUS 1-1 ELECTROLYTES . ACCURACY OF METHOD

被引：160

作者：

RASAIAH, JC

FRIEDMAN, HL

机构：

[1] Department of Chemistry, State University of New York at Stony Brook, Stony Brook

来源：

JOURNAL OF CHEMICAL PHYSICS | 1969年 / 50卷 / 09期

关键词：

D O I：

10.1063/1.1671657

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 computations described earlier [J. Chem. Phys. 48, 2742 (1968)] have been carried out for a variety of primitive-model parameters representative of aqueous 1-1 electrolyte solutions at 25°C. A number of tests, some new, have been applied to assess the accuracy of the results. One test involves a square-mound model, for which some results are also given. The hypernetted-chain equation is found to be quite satisfactory for these models up to 1M electrolyte concentration.

引用

页码：3965 / &

共 19 条

[1]

Friedman H.L., 1962, IONIC SOLUTION THEOR

[2] DENSITY EXPANSIONS OF CORRELATION FUNCTIONS FOR EQUILIBRIUM SYSTEMS [J].