Please use this identifier to cite or link to this item:
Title: Ion Solubility in Ice: Calculation of Potentially Favorable Positions of CI- and Na+ Ions in the SPC/E Model of Ice 1 h*
Contributor(s): Smith, Erica  (author)orcid ; Haymet, Anthony D J (author)
Publication Date: 2004
DOI: 10.1080/08927020410001709325
Handle Link:
Abstract: Favorable and unfavorable locations for positive and negative ions in the ice 1 h lattice are investigated by molecular dynamics methods. This is a first step in calculating the solubility of ions in ice as distinct from liquid water.
Publication Type: Journal Article
Source of Publication: Molecular Simulation, 30(13-15), p. 827-830
Publisher: Taylor & Francis
Place of Publication: United Kingdom
ISSN: 0892-7022
Field of Research (FOR): 030799 Theoretical and Computational Chemistry not elsewhere classified
030704 Statistical Mechanics in Chemistry
Socio-Economic Outcome Codes: 970102 Expanding Knowledge in the Physical Sciences
970103 Expanding Knowledge in the Chemical Sciences
Peer Reviewed: Yes
HERDC Category Description: C1 Refereed Article in a Scholarly Journal
Statistics to Oct 2018: Visitors: 149
Views: 164
Downloads: 0
Appears in Collections:Journal Article

Files in This Item:
2 files
File Description SizeFormat 
Show full item record


checked on Nov 30, 2018

Page view(s)

checked on May 3, 2019
Google Media

Google ScholarTM



Items in Research UNE are protected by copyright, with all rights reserved, unless otherwise indicated.