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

Author(s)
Haymet, Anthony D J
Bryk, Taras
Smith, Erica
Publication Date
2005
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.
Citation
Ionic Soft Matter: Modern Trends in Theory and Applications, p. 333-359
ISBN
9781402036590
9781402036620
Link
https://hdl.handle.net/1959.11/15466
Publisher
Springer
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
Title
Solute Ions at Ice/Water Interface: A molecular dynamics study of the ion solvation and excess stress
Type of document
Book Chapter
Entity Type
Publication

Files:

NameSizeformatDescriptionLink