Solute Ions at Ice/Water Interface: A molecular dynamics study of the ion solvation and excess stress

Title
Solute Ions at Ice/Water Interface: A molecular dynamics study of the ion solvation and excess stress
Publication Date
2005
Author(s)
Haymet, Anthony D J
Bryk, Taras
Smith, Erica
( author )
OrcID: https://orcid.org/0000-0002-8090-4768
Email: esmith32@une.edu.au
UNE Id une-id:esmith32
Editor
Editor(s): Douglas Henderson, Myroslav Holovko, Andrij Trokhymchuk
Type of document
Book Chapter
Language
en
Entity Type
Publication
Publisher
Springer
Place of publication
Dordrecht, Netherlands
Series
NATO Science Series II. Mathematics, Physics and Chemistry: Proceedings of the NATO Advanced Research Workshop on Ionic Soft Matter: Modern Trends in Theory and Applications Lviv, Ukraine 14–17 April 2004
DOI
10.1007/1-4020-3659-0
UNE publication id
une:15683
Abstract
A molecular dynamics study of the 'Ih' ice/water interface and the behavior of solute ions at the basal ice/water interface is presented. The excess stress at the interface of pure ice and pure water is discussed. We compare the solvation of Na+ and C1- solute ions in bulk water and ice, and discuss their behavior at the ice/vacuum interface. The free energy profiles for Na+ and C1- ions across the ice/water interface is estimated from calculations of potential of mean force.
Link
Citation
Ionic Soft Matter: Modern Trends in Theory and Applications, p. 333-359
ISBN
9781402036590
9781402036620
Start page
333
End page
359

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