Dynamic transitions in a three dimensional associating lattice gas model

Detalhes bibliográficos
Autor(a) principal: Szortyka, Marcia Martins
Data de Publicação: 2010
Outros Autores: Girardi, Mauricio, Henriques, Vera Bohomoletz, Barbosa, Marcia Cristina Bernardes
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFRGS
Texto Completo: http://hdl.handle.net/10183/205062
Resumo: We investigate the thermodynamic and dynamic properties of a three dimensional associating lattice gas (ALG) model through Monte Carlo simulations. The ALG model combines a soft core potential and orientational degrees of freedom. The competition of directional attractive forces and the soft core potential results in two coexisting liquid phases which are also connected through order-disorder critical transitions. The model presents structural order, density, and diffusion anomalies. Our study suggests that the dynamic fragile-to-strong transitions are associated to changes in structural order.
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spelling Szortyka, Marcia MartinsGirardi, MauricioHenriques, Vera BohomoletzBarbosa, Marcia Cristina Bernardes2020-01-30T04:09:08Z20100021-9606http://hdl.handle.net/10183/205062000749442We investigate the thermodynamic and dynamic properties of a three dimensional associating lattice gas (ALG) model through Monte Carlo simulations. The ALG model combines a soft core potential and orientational degrees of freedom. The competition of directional attractive forces and the soft core potential results in two coexisting liquid phases which are also connected through order-disorder critical transitions. The model presents structural order, density, and diffusion anomalies. Our study suggests that the dynamic fragile-to-strong transitions are associated to changes in structural order.application/pdfengThe journal of chemical physics. New York. Vol. 132, no. 13 (Apr. 2010), 134904, 6 p.Física da matéria condensadaTransformações líquido-líquidoDiagramas de faseEstrutura líqüidaGás de redeMétodo de Monte CarloDinâmica molecularPropriedades termodinâmicasDynamic transitions in a three dimensional associating lattice gas modelEstrangeiroinfo: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:UFRGSTEXT000749442.pdf.txt000749442.pdf.txtExtracted Texttext/plain28952http://www.lume.ufrgs.br/bitstream/10183/205062/2/000749442.pdf.txt17d3940825284fb0e87a6548f562f39fMD52ORIGINAL000749442.pdfTexto completo (inglês)application/pdf567816http://www.lume.ufrgs.br/bitstream/10183/205062/1/000749442.pdf09964b08be6f948f883056fefdedfae6MD5110183/2050622024-02-07 05:59:05.900225oai:www.lume.ufrgs.br:10183/205062Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2024-02-07T07:59:05Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false
dc.title.pt_BR.fl_str_mv Dynamic transitions in a three dimensional associating lattice gas model
title Dynamic transitions in a three dimensional associating lattice gas model
spellingShingle Dynamic transitions in a three dimensional associating lattice gas model
Szortyka, Marcia Martins
Física da matéria condensada
Transformações líquido-líquido
Diagramas de fase
Estrutura líqüida
Gás de rede
Método de Monte Carlo
Dinâmica molecular
Propriedades termodinâmicas
title_short Dynamic transitions in a three dimensional associating lattice gas model
title_full Dynamic transitions in a three dimensional associating lattice gas model
title_fullStr Dynamic transitions in a three dimensional associating lattice gas model
title_full_unstemmed Dynamic transitions in a three dimensional associating lattice gas model
title_sort Dynamic transitions in a three dimensional associating lattice gas model
author Szortyka, Marcia Martins
author_facet Szortyka, Marcia Martins
Girardi, Mauricio
Henriques, Vera Bohomoletz
Barbosa, Marcia Cristina Bernardes
author_role author
author2 Girardi, Mauricio
Henriques, Vera Bohomoletz
Barbosa, Marcia Cristina Bernardes
author2_role author
author
author
dc.contributor.author.fl_str_mv Szortyka, Marcia Martins
Girardi, Mauricio
Henriques, Vera Bohomoletz
Barbosa, Marcia Cristina Bernardes
dc.subject.por.fl_str_mv Física da matéria condensada
Transformações líquido-líquido
Diagramas de fase
Estrutura líqüida
Gás de rede
Método de Monte Carlo
Dinâmica molecular
Propriedades termodinâmicas
topic Física da matéria condensada
Transformações líquido-líquido
Diagramas de fase
Estrutura líqüida
Gás de rede
Método de Monte Carlo
Dinâmica molecular
Propriedades termodinâmicas
description We investigate the thermodynamic and dynamic properties of a three dimensional associating lattice gas (ALG) model through Monte Carlo simulations. The ALG model combines a soft core potential and orientational degrees of freedom. The competition of directional attractive forces and the soft core potential results in two coexisting liquid phases which are also connected through order-disorder critical transitions. The model presents structural order, density, and diffusion anomalies. Our study suggests that the dynamic fragile-to-strong transitions are associated to changes in structural order.
publishDate 2010
dc.date.issued.fl_str_mv 2010
dc.date.accessioned.fl_str_mv 2020-01-30T04:09:08Z
dc.type.driver.fl_str_mv Estrangeiro
info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
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status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10183/205062
dc.identifier.issn.pt_BR.fl_str_mv 0021-9606
dc.identifier.nrb.pt_BR.fl_str_mv 000749442
identifier_str_mv 0021-9606
000749442
url http://hdl.handle.net/10183/205062
dc.language.iso.fl_str_mv eng
language eng
dc.relation.ispartof.pt_BR.fl_str_mv The journal of chemical physics. New York. Vol. 132, no. 13 (Apr. 2010), 134904, 6 p.
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
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instacron_str UFRGS
institution UFRGS
reponame_str Repositório Institucional da UFRGS
collection Repositório Institucional da UFRGS
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