Radial distribution and orientational correlations in the electrolyte aqueous solution LiCl 6H2O in liquid and glassy states from a reverse Monte Carlo study

Autor:	M. Kotbi, Hong Xu
Rok vydání:	1998
Předmět:	Aqueous solution Chemistry Biophysics Analytical chemistry Thermodynamics Radial distribution Electrolyte Reverse Monte Carlo Neutron scattering Condensed Matter Physics Ion Condensed Matter::Soft Condensed Matter Distribution function Molecule Physical and Theoretical Chemistry Molecular Biology
Zdroj:	Molecular Physics. 94:373-384
ISSN:	1362-3028 0026-8976
DOI:	10.1080/002689798168259
Popis:	Based on partial pair correlation functions obtained from neutron scattering experiments and on specific geometric constraints, a reverse Monte Carlo simulation of the electrolyte aqueous solution LiCl.6H2O in the liquid and glassy states has been performed. The resultant configurations are used to compute the complete set of the atomic radial pair distribution functions and the orientational correlations in the solution. The effects of the ions on the structure of the system is studied by comparing correlations between water molecules in the solution and in pure water at room temperature. The structural characteristics of the glassy state are studied and contrasted with the liquid aqueous solution.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6d88263d99df44fdba1400b14252c27 https://doi.org/10.1080/002689798168259 Zobrazit plný text záznamu