Dynamic transitions in a two dimensional associating lattice gas model
Autor(a) principal: | |
---|---|
Data de Publicação: | 2009 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRGS |
Texto Completo: | http://hdl.handle.net/10183/204991 |
Resumo: | Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a two dimensional lattice gas where particles interact through a soft core potential and orientational degrees of freedom. The competition between soft core potential and directional attractive forces results in a high density liquid phase, a low density liquid phase, and a gas phase. Besides anomalies in the behavior of the density with the temperature at constant pressure and of the diffusion coefficient with density at constant temperature are also found. The two liquid phases are separated by a coexistence line that ends in a bicritical point. The low density liquid phase is separated from the gas phase by a coexistence line that ends in tricritical point. The bicritical and tricritical points are linked by a critical λ-line. The high density liquid phase and the fluid phases are separated by a second critical τ-line. We then investigate how the diffusion coefficient behaves on different regions of the chemical potential-temperature phase diagram. We find that diffusivity undergoes two types of dynamic transitions: a fragile-to-strong transition when the critical λ-line is crossed by decreasing the temperature at a constant chemical potential; and a strong-to-strong transition when the critical τ-line is crossed by decreasing the temperature at a constant chemical potential. |
id |
UFRGS-2_5487bbbd37f122f62df8b3bddcad4d02 |
---|---|
oai_identifier_str |
oai:www.lume.ufrgs.br:10183/204991 |
network_acronym_str |
UFRGS-2 |
network_name_str |
Repositório Institucional da UFRGS |
repository_id_str |
|
spelling |
Szortyka, Marcia MartinsHenriques, Vera BohomoletzGirardi, MauricioBarbosa, Marcia Cristina Bernardes2020-01-28T04:12:04Z20090021-9606http://hdl.handle.net/10183/204991000704588Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a two dimensional lattice gas where particles interact through a soft core potential and orientational degrees of freedom. The competition between soft core potential and directional attractive forces results in a high density liquid phase, a low density liquid phase, and a gas phase. Besides anomalies in the behavior of the density with the temperature at constant pressure and of the diffusion coefficient with density at constant temperature are also found. The two liquid phases are separated by a coexistence line that ends in a bicritical point. The low density liquid phase is separated from the gas phase by a coexistence line that ends in tricritical point. The bicritical and tricritical points are linked by a critical λ-line. The high density liquid phase and the fluid phases are separated by a second critical τ-line. We then investigate how the diffusion coefficient behaves on different regions of the chemical potential-temperature phase diagram. We find that diffusivity undergoes two types of dynamic transitions: a fragile-to-strong transition when the critical λ-line is crossed by decreasing the temperature at a constant chemical potential; and a strong-to-strong transition when the critical τ-line is crossed by decreasing the temperature at a constant chemical potential.application/pdfengThe journal of chemical physics. New York. Vol. 130, no. 18 (May 2009), 184902, 6 p.Física da matéria condensadaTransformações líquido-líquidoDiagramas de faseEstrutura líqüidaGás de redePotencial químicoPontos criticosEntalpiaCalorimetriaMétodo de Monte CarloDynamic transitions in a two 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:UFRGSTEXT000704588.pdf.txt000704588.pdf.txtExtracted Texttext/plain33864http://www.lume.ufrgs.br/bitstream/10183/204991/2/000704588.pdf.txt85b1977e1379077516307471a8972699MD52ORIGINAL000704588.pdfTexto completo (inglês)application/pdf618541http://www.lume.ufrgs.br/bitstream/10183/204991/1/000704588.pdf6e00ca6deb928469ea5b17846fd97f1eMD5110183/2049912024-02-07 06:01:03.511214oai:www.lume.ufrgs.br:10183/204991Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2024-02-07T08:01:03Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false |
dc.title.pt_BR.fl_str_mv |
Dynamic transitions in a two dimensional associating lattice gas model |
title |
Dynamic transitions in a two dimensional associating lattice gas model |
spellingShingle |
Dynamic transitions in a two dimensional associating lattice gas model Szortyka, Marcia Martins Física da matéria condensada Transformações líquido-líquido Diagramas de fase Estrutura líqüida Gás de rede Potencial químico Pontos criticos Entalpia Calorimetria Método de Monte Carlo |
title_short |
Dynamic transitions in a two dimensional associating lattice gas model |
title_full |
Dynamic transitions in a two dimensional associating lattice gas model |
title_fullStr |
Dynamic transitions in a two dimensional associating lattice gas model |
title_full_unstemmed |
Dynamic transitions in a two dimensional associating lattice gas model |
title_sort |
Dynamic transitions in a two dimensional associating lattice gas model |
author |
Szortyka, Marcia Martins |
author_facet |
Szortyka, Marcia Martins Henriques, Vera Bohomoletz Girardi, Mauricio Barbosa, Marcia Cristina Bernardes |
author_role |
author |
author2 |
Henriques, Vera Bohomoletz Girardi, Mauricio Barbosa, Marcia Cristina Bernardes |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Szortyka, Marcia Martins Henriques, Vera Bohomoletz Girardi, Mauricio 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 Potencial químico Pontos criticos Entalpia Calorimetria Método de Monte Carlo |
topic |
Física da matéria condensada Transformações líquido-líquido Diagramas de fase Estrutura líqüida Gás de rede Potencial químico Pontos criticos Entalpia Calorimetria Método de Monte Carlo |
description |
Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a two dimensional lattice gas where particles interact through a soft core potential and orientational degrees of freedom. The competition between soft core potential and directional attractive forces results in a high density liquid phase, a low density liquid phase, and a gas phase. Besides anomalies in the behavior of the density with the temperature at constant pressure and of the diffusion coefficient with density at constant temperature are also found. The two liquid phases are separated by a coexistence line that ends in a bicritical point. The low density liquid phase is separated from the gas phase by a coexistence line that ends in tricritical point. The bicritical and tricritical points are linked by a critical λ-line. The high density liquid phase and the fluid phases are separated by a second critical τ-line. We then investigate how the diffusion coefficient behaves on different regions of the chemical potential-temperature phase diagram. We find that diffusivity undergoes two types of dynamic transitions: a fragile-to-strong transition when the critical λ-line is crossed by decreasing the temperature at a constant chemical potential; and a strong-to-strong transition when the critical τ-line is crossed by decreasing the temperature at a constant chemical potential. |
publishDate |
2009 |
dc.date.issued.fl_str_mv |
2009 |
dc.date.accessioned.fl_str_mv |
2020-01-28T04:12:04Z |
dc.type.driver.fl_str_mv |
Estrangeiro info:eu-repo/semantics/article |
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/10183/204991 |
dc.identifier.issn.pt_BR.fl_str_mv |
0021-9606 |
dc.identifier.nrb.pt_BR.fl_str_mv |
000704588 |
identifier_str_mv |
0021-9606 000704588 |
url |
http://hdl.handle.net/10183/204991 |
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. 130, no. 18 (May 2009), 184902, 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 |
dc.source.none.fl_str_mv |
reponame:Repositório Institucional da UFRGS instname:Universidade Federal do Rio Grande do Sul (UFRGS) instacron:UFRGS |
instname_str |
Universidade Federal do Rio Grande do Sul (UFRGS) |
instacron_str |
UFRGS |
institution |
UFRGS |
reponame_str |
Repositório Institucional da UFRGS |
collection |
Repositório Institucional da UFRGS |
bitstream.url.fl_str_mv |
http://www.lume.ufrgs.br/bitstream/10183/204991/2/000704588.pdf.txt http://www.lume.ufrgs.br/bitstream/10183/204991/1/000704588.pdf |
bitstream.checksum.fl_str_mv |
85b1977e1379077516307471a8972699 6e00ca6deb928469ea5b17846fd97f1e |
bitstream.checksumAlgorithm.fl_str_mv |
MD5 MD5 |
repository.name.fl_str_mv |
Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS) |
repository.mail.fl_str_mv |
|
_version_ |
1801224983903469568 |