Condensed Matter Physics, 2013, vol. 16, No. 4, 43006:1-12
On the influence of molecular structure on the conductivity of electrolyte solutions - sodium nitrate in water
(Universitat Regensburg, Institut fur Physikalische und Theoretische Chemie,
Universitatsstrasse 31, D-93053 Regensburg, Germany)
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.
electrolytes, aqueous sodium nitrate, structural and transport properties, conductance
05.70.Ln, 61.20.Ja, 61.20.Gy, 61.20.Lc, 77.22-d, 82.45.Gj