Diffusion enhancement in core-softened fluid confined in nanotubes.
Autor(a) principal: | |
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Data de Publicação: | 2012 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFOP |
Texto Completo: | http://www.repositorio.ufop.br/handle/123456789/1463 |
Resumo: | We study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the density and in the diffusion of liquid water. A series of NpT molecular dynamics simulations for this two length scales fluid confined in a nanotube were performed. We obtain that the diffusion coefficient increases with the increase of the nanotube radius for wide channels as expected for normal fluids. However, for narrow channels, the confinement shows an enhancement in the diffusion coefficient when the nanotube radius decreases. This behavior, observed for water, is explained in the framework of the two length scales potential. |
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Repositório Institucional da UFOP |
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Diffusion enhancement in core-softened fluid confined in nanotubes.We study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the density and in the diffusion of liquid water. A series of NpT molecular dynamics simulations for this two length scales fluid confined in a nanotube were performed. We obtain that the diffusion coefficient increases with the increase of the nanotube radius for wide channels as expected for normal fluids. However, for narrow channels, the confinement shows an enhancement in the diffusion coefficient when the nanotube radius decreases. This behavior, observed for water, is explained in the framework of the two length scales potential.2012-09-28T13:44:24Z2012-09-28T13:44:24Z2012info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfBORDIN, J. R. et al. Diffusion enhancement in core-softened fluid confined in nanotubes. The Journal of Chemical Physics, v. 137, n. 8, p. 084504, 2012. Disponível em: <https://aip.scitation.org/doi/full/10.1063/1.4746748?ei=MRs1U5RCgYqFB4nAgJAE&usg=AFQjCNFAQsVdBIlW18Fvrvv9BpciBf1wQQ&showFTTab=true&sa=U&containerItemId=content%2Faip%2Fjournal%2Fjcp&ved=0CDYQFjAF>. Acesso em: 28 set. 2012.10897690http://www.repositorio.ufop.br/handle/123456789/1463O periódico The Journal of Chemical Physics concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3343140133177.info:eu-repo/semantics/openAccessBordin, José RafaelOliveira, Alan Barros deDiehl, AlexandreBarbosa, Márcia Cristina Bernardesengreponame:Repositório Institucional da UFOPinstname:Universidade Federal de Ouro Preto (UFOP)instacron:UFOP2019-03-11T14:25:57Zoai:repositorio.ufop.br:123456789/1463Repositório InstitucionalPUBhttp://www.repositorio.ufop.br/oai/requestrepositorio@ufop.edu.bropendoar:32332019-03-11T14:25:57Repositório Institucional da UFOP - Universidade Federal de Ouro Preto (UFOP)false |
dc.title.none.fl_str_mv |
Diffusion enhancement in core-softened fluid confined in nanotubes. |
title |
Diffusion enhancement in core-softened fluid confined in nanotubes. |
spellingShingle |
Diffusion enhancement in core-softened fluid confined in nanotubes. Bordin, José Rafael |
title_short |
Diffusion enhancement in core-softened fluid confined in nanotubes. |
title_full |
Diffusion enhancement in core-softened fluid confined in nanotubes. |
title_fullStr |
Diffusion enhancement in core-softened fluid confined in nanotubes. |
title_full_unstemmed |
Diffusion enhancement in core-softened fluid confined in nanotubes. |
title_sort |
Diffusion enhancement in core-softened fluid confined in nanotubes. |
author |
Bordin, José Rafael |
author_facet |
Bordin, José Rafael Oliveira, Alan Barros de Diehl, Alexandre Barbosa, Márcia Cristina Bernardes |
author_role |
author |
author2 |
Oliveira, Alan Barros de Diehl, Alexandre Barbosa, Márcia Cristina Bernardes |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Bordin, José Rafael Oliveira, Alan Barros de Diehl, Alexandre Barbosa, Márcia Cristina Bernardes |
description |
We study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the density and in the diffusion of liquid water. A series of NpT molecular dynamics simulations for this two length scales fluid confined in a nanotube were performed. We obtain that the diffusion coefficient increases with the increase of the nanotube radius for wide channels as expected for normal fluids. However, for narrow channels, the confinement shows an enhancement in the diffusion coefficient when the nanotube radius decreases. This behavior, observed for water, is explained in the framework of the two length scales potential. |
publishDate |
2012 |
dc.date.none.fl_str_mv |
2012-09-28T13:44:24Z 2012-09-28T13:44:24Z 2012 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
BORDIN, J. R. et al. Diffusion enhancement in core-softened fluid confined in nanotubes. The Journal of Chemical Physics, v. 137, n. 8, p. 084504, 2012. Disponível em: <https://aip.scitation.org/doi/full/10.1063/1.4746748?ei=MRs1U5RCgYqFB4nAgJAE&usg=AFQjCNFAQsVdBIlW18Fvrvv9BpciBf1wQQ&showFTTab=true&sa=U&containerItemId=content%2Faip%2Fjournal%2Fjcp&ved=0CDYQFjAF>. Acesso em: 28 set. 2012. 10897690 http://www.repositorio.ufop.br/handle/123456789/1463 |
identifier_str_mv |
BORDIN, J. R. et al. Diffusion enhancement in core-softened fluid confined in nanotubes. The Journal of Chemical Physics, v. 137, n. 8, p. 084504, 2012. Disponível em: <https://aip.scitation.org/doi/full/10.1063/1.4746748?ei=MRs1U5RCgYqFB4nAgJAE&usg=AFQjCNFAQsVdBIlW18Fvrvv9BpciBf1wQQ&showFTTab=true&sa=U&containerItemId=content%2Faip%2Fjournal%2Fjcp&ved=0CDYQFjAF>. Acesso em: 28 set. 2012. 10897690 |
url |
http://www.repositorio.ufop.br/handle/123456789/1463 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
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 UFOP instname:Universidade Federal de Ouro Preto (UFOP) instacron:UFOP |
instname_str |
Universidade Federal de Ouro Preto (UFOP) |
instacron_str |
UFOP |
institution |
UFOP |
reponame_str |
Repositório Institucional da UFOP |
collection |
Repositório Institucional da UFOP |
repository.name.fl_str_mv |
Repositório Institucional da UFOP - Universidade Federal de Ouro Preto (UFOP) |
repository.mail.fl_str_mv |
repositorio@ufop.edu.br |
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1813002799071363072 |