Skip to content
BY-NC-ND 3.0 license Open Access Published by De Gruyter June 2, 2014

Electrostatic and Packing Contributions to the Structure of Water and Aqueous Electrolyte Solutions

  • M. F. Holovko , Yu. V. Kalyuzhny and K. Heinzinger


The role of electrostatic and packing contributions to the structure of water and aqueous electrolyte solutions has been investigated by the comparison of results of Molecular Dynamics simulations with those of analytical calculations for the corresponding Lennard-Jones systems. It is demonstrated that the electrostatic interactions play a dominant role in determining the characteristic data of the various radial distribution functions in the solutions, although their relative importance decreases with increasing pressure, temperature, and ionic concentration. It is proposed that for the analytical treatment of hydrogen bonded liquids the total potential should be subdivided into three regions - short range repulsion, potential minimum, long range electrostatic interactions - and a different theoretical approach should be employed for each region

Received: 1990-1-31
Published Online: 2014-6-2
Published in Print: 1990-5-1

© 1946 – 2014: Verlag der Zeitschrift für Naturforschung

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Downloaded on 2.4.2023 from
Scroll to top button