首页> 外文期刊>Zeitschrift fur Physikalische Chemie: International Journal of Research in Physical Chemistry and Chemical Physics >On the Influence of Molecular Structure on the Conductivity of Electrolyte Solutions - Sodium Chloride in Dioxane-Water Mixtures
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On the Influence of Molecular Structure on the Conductivity of Electrolyte Solutions - Sodium Chloride in Dioxane-Water Mixtures

机译:分子结构对二恶烷-水混合物中氯化钠电解质溶液电导率的影响

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摘要

Theoretical calculations of the conductivity of sodium chloride in water -f 1,4-dioxane mixtures are presented and compared with experimental mea.surements. 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 calculations on the Born-Oppenheimer level. This work is based on earlier studies on structure of dioxane + water mixtures and the solvation of ions in it.
机译:提出了在水-f 1,4-二恶烷混合物中氯化钠电导率的理论计算方法,并与实验方法进行了比较。在离子间理论的框架内,直接相关力的方法被用于结合缔合平均球面近似(AMSA)的传输性质的计算。溶液中离子之间的有效相互作用是借助Born-Oppenheimer级的Monte Carlo计算得出的。这项工作是基于对二恶烷+水混合物的结构及其中离子的溶剂化的早期研究。

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