A Molecular Dynamics Study of Aqueous Solutions V. Angular Distribution of the Water Dipoles in the Hydration Shells of Various Alkali-and Halide Ions
Open Access
- 1 September 1976
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 31 (9) , 1073-1076
- https://doi.org/10.1515/zna-1976-0911
Abstract
The angular distributions of the water dipoles have been calculated from molecular dynamics runs for the first hydration shells of various ions in 2.2 molal LiJ, LiCl, NaCl, CsCl and CsF solutions and in a 0.55 molal NaCl solution. It is shown how the distributions depend on the size of the shell taken around each ion. The results give no indication for the existence of desoriented water molecules in the immediate neighbourhood of the ions.Keywords
This publication has 0 references indexed in Scilit: