INDIVIDUAL IONIC ACTIVITY-COEFFICIENTS FROM A SYMMETRICAL POISSON-BOLTZMANN THEORY

被引:43
|
作者
MOLERO, M
OUTHWAITE, CW
BHUIYAN, LB
机构
[1] UNIV SHEFFIELD,DEPT APPL & COMP MATH,SHEFFIELD S10 2TN,S YORKSHIRE,ENGLAND
[2] UNIV PUERTO RICO,DEPT PHYS,RIO PIEDRAS,PR 00931
关键词
D O I
10.1039/ft9928801541
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 symmetric Poisson-Boltzmann equation is used to calculate individual activity coefficients for 1 : 1 and 2 : 1 primitive model electrolytes. Comparisons are made with the mean-spherical approximation and hypernetted chain integral equation predictions and available Monte Carlo simulation results. A brief comparison is also made with the mean-spherical approximation and Monte Carlo results for the aqueous mixture KCI-KF.
引用
收藏
页码:1541 / 1547
页数:7
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