On the influence of molecular structure on the conductivity of electrolyte solutions - sodium nitrate in water

被引：8
|
作者：
Krienke, H. [1 ]
机构：
[1] Univ Regensburg, Inst Phys & Theoret Chem, D-93053 Regensburg, Germany
来源：
CONDENSED MATTER PHYSICS | 2013年 / 16卷 / 04期
关键词：
electrolytes; aqueous sodium nitrate; structural and transport properties; conductance; MEAN-SPHERICAL APPROXIMATION; DYNAMICS SIMULATION; CONDUCTANCE; IONS; EQUILIBRIUM; ASSOCIATION; MIXTURES; CHLORIDE; MODELS;
D O I：
10.5488/CMP.16.43006
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Theoretical calculations of the conductivity of sodium nitrate in water are presented and compared with experimental measurements. The method of direct correlation force in the framework of the interionic theory is used for the calculation of transport properties in connection with the associative mean spherical approximation (AMSA). The effective interactions between ions in solutions are derived with the help of Monte Carlo and Molecular Dynamics calculations on the Born-Oppenheimer level. This work is based on earlier theoretical and experimental studies of the structure of concentrated aqueous sodium nitrate solutions.
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页数：12
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