The role of ion-aggregate formation in the calculation of physical properties of electrolyte solutions

被引：41

作者：

Barthel, J ^{[1
]}

Krienke, H

Neueder, R

Holovko, MF

机构：

[1] Univ Regensburg, Inst Phys & Theoret Chem, D-93040 Regensburg, Germany

[2] Natl Acad Sci Ukraine, Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine

来源：

FLUID PHASE EQUILIBRIA | 2002年 / 194卷

关键词：

electrolyte solution; ion-aggregate formation; chemical model; osmotic coefficient; activity coefficient; electrical conductivity;

D O I：

10.1016/S0378-3812(01)00644-6

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The use of chemical models is shown based on pair distribution functions (pdf) taking into account long and short-range interaction forces on the McMillan-Mayer (MM) level for the calculation of thermodynamic properties (association constant, activity coefficient, osmotic coefficient) and transport properties (conductivity) of electrolyte solutions from dilute to concentrated solutions. Extensions of the Debye-Huckel theory including ion association and solvation are used at low concentrations. High concentrations are treated by the use of the mean spherical approximation (MSA), the MSA-mass action law (MAL), and the associative MSA (AMSA) permitting one the access to systems with ion aggregation to trimers and tetramers. Comparison is made with experimental data. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：107 / 122

页数：16

共 47 条

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