Krienke, H. (2013) On the influence of molecular structure on the conductivity of electrolyte solutions - sodium nitrate in water. CONDENSED MATTER PHYSICS, 16 (4): 43006. ISSN 1607-324X, 2224-9079
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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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MEAN-SPHERICAL APPROXIMATION; DYNAMICS SIMULATION; CONDUCTANCE; IONS; EQUILIBRIUM; ASSOCIATION; MIXTURES; CHLORIDE; MODELS; electrolytes; aqueous sodium nitrate; structural and transport properties; conductance |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 28 Apr 2020 08:45 |
| Last Modified: | 28 Apr 2020 08:45 |
| URI: | https://pred.uni-regensburg.de/id/eprint/17329 |
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