Polarizable ions at interfaces

Detalhes bibliográficos
Autor(a) principal: Levin, Yan
Data de Publicação: 2009
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFRGS
Texto Completo: http://hdl.handle.net/10183/100096
Resumo: A nonperturbative theory is presented which allows us to calculate the solvation free energy of polarizable ions near water-vapor and water-oil interfaces. The theory predicts that larger halogen anions are adsorbed at the interface, while the alkali metal cations are repelled from it. The density profiles calculated theoretically are similar to those obtained using molecular dynamics simulations with polarizable force fields.
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spelling Levin, Yan2014-08-12T02:10:30Z20090031-9007http://hdl.handle.net/10183/100096000703956A nonperturbative theory is presented which allows us to calculate the solvation free energy of polarizable ions near water-vapor and water-oil interfaces. The theory predicts that larger halogen anions are adsorbed at the interface, while the alkali metal cations are repelled from it. The density profiles calculated theoretically are similar to those obtained using molecular dynamics simulations with polarizable force fields.application/pdfengPhysical review letters. Melville. Vol. 102, no. 14 (Apr. 2009), 147803, 4 p.Estrutura líqüidaEletrólitosInterface : Água : VaporPolarizable ions at interfacesEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSORIGINAL000703956.pdf000703956.pdfTexto completo (inglês)application/pdf137971http://www.lume.ufrgs.br/bitstream/10183/100096/1/000703956.pdf374dee3a5408655afad99859c75d299fMD51TEXT000703956.pdf.txt000703956.pdf.txtExtracted Texttext/plain21461http://www.lume.ufrgs.br/bitstream/10183/100096/2/000703956.pdf.txt98becf34e44de7b5ca6b2c4a22689e94MD52THUMBNAIL000703956.pdf.jpg000703956.pdf.jpgGenerated Thumbnailimage/jpeg1870http://www.lume.ufrgs.br/bitstream/10183/100096/3/000703956.pdf.jpg12bda0bdb7cc1817e3777229c9b93d77MD5310183/1000962023-09-02 03:34:54.218333oai:www.lume.ufrgs.br:10183/100096Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2023-09-02T06:34:54Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false
dc.title.pt_BR.fl_str_mv Polarizable ions at interfaces
title Polarizable ions at interfaces
spellingShingle Polarizable ions at interfaces
Levin, Yan
Estrutura líqüida
Eletrólitos
Interface : Água : Vapor
title_short Polarizable ions at interfaces
title_full Polarizable ions at interfaces
title_fullStr Polarizable ions at interfaces
title_full_unstemmed Polarizable ions at interfaces
title_sort Polarizable ions at interfaces
author Levin, Yan
author_facet Levin, Yan
author_role author
dc.contributor.author.fl_str_mv Levin, Yan
dc.subject.por.fl_str_mv Estrutura líqüida
Eletrólitos
Interface : Água : Vapor
topic Estrutura líqüida
Eletrólitos
Interface : Água : Vapor
description A nonperturbative theory is presented which allows us to calculate the solvation free energy of polarizable ions near water-vapor and water-oil interfaces. The theory predicts that larger halogen anions are adsorbed at the interface, while the alkali metal cations are repelled from it. The density profiles calculated theoretically are similar to those obtained using molecular dynamics simulations with polarizable force fields.
publishDate 2009
dc.date.issued.fl_str_mv 2009
dc.date.accessioned.fl_str_mv 2014-08-12T02:10:30Z
dc.type.driver.fl_str_mv Estrangeiro
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dc.identifier.uri.fl_str_mv http://hdl.handle.net/10183/100096
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dc.language.iso.fl_str_mv eng
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dc.relation.ispartof.pt_BR.fl_str_mv Physical review letters. Melville. Vol. 102, no. 14 (Apr. 2009), 147803, 4 p.
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