Krienke, Hartmut and Ahn-Ercan, Gudrun and Maurer, Alexander (2013) On the Influence of Molecular Structure on the Conductivity of Electrolyte Solutions - Sodium Chloride in Dioxane-Water Mixtures. ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 227 (2-3). pp. 285-302. ISSN 0942-9352,
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Theoretical calculations of the conductivity of sodium chloride in water + 1,4-dioxane mixtures 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 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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | WATER+1,4-DIOXANE MIXTURES; 1,4-DIOXANE-WATER MIXTURES; CONDUCTANCE; APPROXIMATION; 35-DEGREES-C; MODELS; Dioxane-Water Mixtures; Transport Properties; Electrolytes; Conductance |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 29 Apr 2020 06:14 |
| Last Modified: | 29 Apr 2020 06:14 |
| URI: | https://pred.uni-regensburg.de/id/eprint/17442 |
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