Abstract
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.
Highlights
Over the years a fruitful collaboration with my old friend Myroslav Holovko was devoted to the study of liquids and solutions using the methods of Theoretical Physics, the Statistical Mechanics of many body systems
There are not so many places in the world, where this can be done with the same power and inspiration as in the Institute of Condensed Matter Physics in Lviv, Ukraine, and an early sign of this kind of research is the famous book by Ihor Yukhnovsky and Myroslav Holovko “Statistical Theory of Classical Equilibrium Systems” [1] which appeared over 30 years ago in the former Soviet Union
One of the most interesting goals already in those times was to study the classical systems of charged particles, and the collective coordinate description derived for these systems provided an important basis for the treatment of chemical subjects such as electrolyte solutions
Summary
Universität Regensburg, Institut für Physikalische und Theoretische Chemie, Universitätsstrasse 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
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