Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials

Detalhes bibliográficos
Autor(a) principal: Krott, Leandro Batirolla
Data de Publicação: 2014
Outros Autores: Barbosa, Marcia Cristina Bernardes
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFRGS
Texto Completo: http://hdl.handle.net/10183/103465
Resumo: Molecular dynamic simulations were employed to study a waterlike model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate potentials. For both hydrophobic and hydrophilic walls, there are the formation of layers. Crystallization occurs at lower temperature at the contact layer than at the middle layer. In addition, the melting temperature decreases as the plates become more hydrophobic. Similarly, the temperatures of maximum density and extremum diffusivity decrease with hydrophobicity.
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spelling Krott, Leandro BatirollaBarbosa, Marcia Cristina Bernardes2014-09-19T02:14:45Z20141539-3755http://hdl.handle.net/10183/103465000916505Molecular dynamic simulations were employed to study a waterlike model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate potentials. For both hydrophobic and hydrophilic walls, there are the formation of layers. Crystallization occurs at lower temperature at the contact layer than at the middle layer. In addition, the melting temperature decreases as the plates become more hydrophobic. Similarly, the temperatures of maximum density and extremum diffusivity decrease with hydrophobicity.application/pdfengPhysical review. E, Statistical, nonlinear, and soft matter physics. Vol. 89, no. 1 (Jan. 2014), 012110, 11 p.Dinâmica molecularÁguaHidrofobicidadePonto de fusãoCristalizaçãoDifusividade térmicaModel of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentialsEstrangeiroinfo: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:UFRGSORIGINAL000916505.pdf000916505.pdfTexto completo (inglês)application/pdf1384066http://www.lume.ufrgs.br/bitstream/10183/103465/1/000916505.pdf5a830f4238a44b0a20cee2272122125fMD51TEXT000916505.pdf.txt000916505.pdf.txtExtracted Texttext/plain43759http://www.lume.ufrgs.br/bitstream/10183/103465/2/000916505.pdf.txtc6291d248c3c8b163de240819e120dc0MD52THUMBNAIL000916505.pdf.jpg000916505.pdf.jpgGenerated Thumbnailimage/jpeg2259http://www.lume.ufrgs.br/bitstream/10183/103465/3/000916505.pdf.jpg3262e914214a7100b7d82105cb1e7781MD5310183/1034652024-02-07 05:59:13.586822oai:www.lume.ufrgs.br:10183/103465Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2024-02-07T07:59:13Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false
dc.title.pt_BR.fl_str_mv Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials
title Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials
spellingShingle Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials
Krott, Leandro Batirolla
Dinâmica molecular
Água
Hidrofobicidade
Ponto de fusão
Cristalização
Difusividade térmica
title_short Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials
title_full Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials
title_fullStr Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials
title_full_unstemmed Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials
title_sort Model of waterlike fluid under confinement for hydrophobic and hydrophilic particle-plate interaction potentials
author Krott, Leandro Batirolla
author_facet Krott, Leandro Batirolla
Barbosa, Marcia Cristina Bernardes
author_role author
author2 Barbosa, Marcia Cristina Bernardes
author2_role author
dc.contributor.author.fl_str_mv Krott, Leandro Batirolla
Barbosa, Marcia Cristina Bernardes
dc.subject.por.fl_str_mv Dinâmica molecular
Água
Hidrofobicidade
Ponto de fusão
Cristalização
Difusividade térmica
topic Dinâmica molecular
Água
Hidrofobicidade
Ponto de fusão
Cristalização
Difusividade térmica
description Molecular dynamic simulations were employed to study a waterlike model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate potentials. For both hydrophobic and hydrophilic walls, there are the formation of layers. Crystallization occurs at lower temperature at the contact layer than at the middle layer. In addition, the melting temperature decreases as the plates become more hydrophobic. Similarly, the temperatures of maximum density and extremum diffusivity decrease with hydrophobicity.
publishDate 2014
dc.date.accessioned.fl_str_mv 2014-09-19T02:14:45Z
dc.date.issued.fl_str_mv 2014
dc.type.driver.fl_str_mv Estrangeiro
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dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10183/103465
dc.identifier.issn.pt_BR.fl_str_mv 1539-3755
dc.identifier.nrb.pt_BR.fl_str_mv 000916505
identifier_str_mv 1539-3755
000916505
url http://hdl.handle.net/10183/103465
dc.language.iso.fl_str_mv eng
language eng
dc.relation.ispartof.pt_BR.fl_str_mv Physical review. E, Statistical, nonlinear, and soft matter physics. Vol. 89, no. 1 (Jan. 2014), 012110, 11 p.
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
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