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Please use this identifier to cite or link to this item: https://hdl.handle.net/1959.11/15466
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dc.contributor.authorHaymet, Anthony D Jen
dc.contributor.authorBryk, Tarasen
dc.contributor.authorSmith, Ericaen
local.source.editorEditor(s): Douglas Henderson, Myroslav Holovko, Andrij Trokhymchuken
dc.date.accessioned2014-08-12T13:53:00Z-
dc.date.issued2005-
dc.identifier.citationIonic Soft Matter: Modern Trends in Theory and Applications, p. 333-359en
dc.identifier.isbn9781402036590en
dc.identifier.isbn9781402036620en
dc.identifier.urihttps://hdl.handle.net/1959.11/15466-
dc.description.abstractA 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.en
dc.languageenen
dc.publisherSpringeren
dc.relation.ispartofIonic Soft Matter: Modern Trends in Theory and Applicationsen
dc.relation.ispartofseriesNATO 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 2004en
dc.titleSolute Ions at Ice/Water Interface: A molecular dynamics study of the ion solvation and excess stressen
dc.typeBook Chapteren
dc.identifier.doi10.1007/1-4020-3659-0en
dc.subject.keywordsTheoretical and Computational Chemistryen
dc.subject.keywordsStatistical Mechanics in Chemistryen
local.contributor.firstnameAnthony D Jen
local.contributor.firstnameTarasen
local.contributor.firstnameEricaen
local.subject.for2008030704 Statistical Mechanics in Chemistryen
local.subject.for2008030799 Theoretical and Computational Chemistry not elsewhere classifieden
local.subject.seo2008970102 Expanding Knowledge in the Physical Sciencesen
local.subject.seo2008970103 Expanding Knowledge in the Chemical Sciencesen
local.identifier.epublicationsvtls086699218en
local.profile.schoolSchool of Science and Technologyen
local.profile.emailesmith32@une.edu.auen
local.output.categoryB1en
local.record.placeauen
local.record.institutionUniversity of New Englanden
local.identifier.epublicationsrecordune-20140812-100940en
local.publisher.placeDordrecht, Netherlandsen
local.identifier.totalchapters16en
local.format.startpage333en
local.format.endpage359en
local.series.issn1568-2609en
local.series.number206en
local.title.subtitleA molecular dynamics study of the ion solvation and excess stressen
local.contributor.lastnameHaymeten
local.contributor.lastnameBryken
local.contributor.lastnameSmithen
dc.identifier.staffune-id:esmith32en
local.profile.orcid0000-0002-8090-4768en
local.profile.roleauthoren
local.profile.roleauthoren
local.profile.roleauthoren
local.identifier.unepublicationidune:15683en
dc.identifier.academiclevelAcademicen
local.title.maintitleSolute Ions at Ice/Water Interfaceen
local.output.categorydescriptionB1 Chapter in a Scholarly Booken
local.relation.urlhttp://nla.gov.au/anbd.bib-an40168912en
local.search.authorHaymet, Anthony D Jen
local.search.authorBryk, Tarasen
local.search.authorSmith, Ericaen
local.uneassociationUnknownen
local.year.published2005en
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