Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement

Detalhes bibliográficos
Autor(a) principal: Barbosa, Rafael de Carvalho
Data de Publicação: 2016
Outros Autores: Krott, Leandro Batirolla, Barbosa, Marcia Cristina Bernardes
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFRGS
Texto Completo: http://hdl.handle.net/10183/149274
Resumo: We perform molecular dynamics simulations of an anomalous uid con ned between parallel plates. The e ects of the con nement on the structural behavior of the uid when the plates are hydrophobic, hydrophilic and amphiphilic were investigate. The anomalous uid was modeled using a two length scales potential, that exhibits density, di usion and structural anomalies like observed in liquid water. We show that this uid at the contact layer exhibits the formation of a solid/amorphous phase for temperatures at which the bulk system is liquid.
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spelling Barbosa, Rafael de CarvalhoKrott, Leandro BatirollaBarbosa, Marcia Cristina Bernardes2016-10-27T02:19:47Z20161742-6588http://hdl.handle.net/10183/149274001003598We perform molecular dynamics simulations of an anomalous uid con ned between parallel plates. The e ects of the con nement on the structural behavior of the uid when the plates are hydrophobic, hydrophilic and amphiphilic were investigate. The anomalous uid was modeled using a two length scales potential, that exhibits density, di usion and structural anomalies like observed in liquid water. We show that this uid at the contact layer exhibits the formation of a solid/amorphous phase for temperatures at which the bulk system is liquid.application/pdfengJournal of physics : conference series. Bristol. Vol. 686 (2016), 012004, 11 p.Dinâmica molecularAnomaliasHidrofobicidadeHidrofilicidadeÁguaStructural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinementEstrangeiroinfo: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:UFRGSORIGINAL001003598.pdf001003598.pdfTexto completo (inglês)application/pdf874311http://www.lume.ufrgs.br/bitstream/10183/149274/1/001003598.pdfecb6f6af78a412d1524c007008e9f70aMD51TEXT001003598.pdf.txt001003598.pdf.txtExtracted Texttext/plain23689http://www.lume.ufrgs.br/bitstream/10183/149274/2/001003598.pdf.txt0dd02e97299d057f01799ac584611ea7MD52THUMBNAIL001003598.pdf.jpg001003598.pdf.jpgGenerated Thumbnailimage/jpeg1591http://www.lume.ufrgs.br/bitstream/10183/149274/3/001003598.pdf.jpgf31806312f12011aa77c4389a603a279MD5310183/1492742024-02-07 05:59:40.657343oai:www.lume.ufrgs.br:10183/149274Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2024-02-07T07:59:40Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false
dc.title.pt_BR.fl_str_mv Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement
title Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement
spellingShingle Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement
Barbosa, Rafael de Carvalho
Dinâmica molecular
Anomalias
Hidrofobicidade
Hidrofilicidade
Água
title_short Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement
title_full Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement
title_fullStr Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement
title_full_unstemmed Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement
title_sort Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement
author Barbosa, Rafael de Carvalho
author_facet Barbosa, Rafael de Carvalho
Krott, Leandro Batirolla
Barbosa, Marcia Cristina Bernardes
author_role author
author2 Krott, Leandro Batirolla
Barbosa, Marcia Cristina Bernardes
author2_role author
author
dc.contributor.author.fl_str_mv Barbosa, Rafael de Carvalho
Krott, Leandro Batirolla
Barbosa, Marcia Cristina Bernardes
dc.subject.por.fl_str_mv Dinâmica molecular
Anomalias
Hidrofobicidade
Hidrofilicidade
Água
topic Dinâmica molecular
Anomalias
Hidrofobicidade
Hidrofilicidade
Água
description We perform molecular dynamics simulations of an anomalous uid con ned between parallel plates. The e ects of the con nement on the structural behavior of the uid when the plates are hydrophobic, hydrophilic and amphiphilic were investigate. The anomalous uid was modeled using a two length scales potential, that exhibits density, di usion and structural anomalies like observed in liquid water. We show that this uid at the contact layer exhibits the formation of a solid/amorphous phase for temperatures at which the bulk system is liquid.
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dc.date.accessioned.fl_str_mv 2016-10-27T02:19:47Z
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dc.language.iso.fl_str_mv eng
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dc.relation.ispartof.pt_BR.fl_str_mv Journal of physics : conference series. Bristol. Vol. 686 (2016), 012004, 11 p.
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