Quantitative description of the self-assembly of patchy particles into chains and rings

Detalhes bibliográficos
Autor(a) principal: Tavares, Jose
Data de Publicação: 2012
Outros Autores: Rovigatti, Lorenzo, SCIORTINO, Francesco
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10400.21/5158
Resumo: We numerically study a simple fluid composed of particles having a hard-core repulsion complemented by two patchy attractive sites on the particle poles. An appropriate choice of the patch angular width allows for the formation of ring structures which, at low temperatures and low densities, compete with the growth of linear aggregates. The simplicity of the model makes it possible to compare simulation results and theoretical predictions based on the Wertheim perturbation theory, specialized to the case in which ring formation is allowed. Such a comparison offers a unique framework for establishing the quality of the analytic predictions. We find that the Wertheim theory describes remarkably well the simulation results.
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spelling Quantitative description of the self-assembly of patchy particles into chains and ringsThermodynamic Perturbation-TheoryDirectional Attractive ForcesDynamical Monte-CarloEquilibrium PolymersFluidsAssociationSimulationModelWe numerically study a simple fluid composed of particles having a hard-core repulsion complemented by two patchy attractive sites on the particle poles. An appropriate choice of the patch angular width allows for the formation of ring structures which, at low temperatures and low densities, compete with the growth of linear aggregates. The simplicity of the model makes it possible to compare simulation results and theoretical predictions based on the Wertheim perturbation theory, specialized to the case in which ring formation is allowed. Such a comparison offers a unique framework for establishing the quality of the analytic predictions. We find that the Wertheim theory describes remarkably well the simulation results.American Institute of PhysicsRCIPLTavares, JoseRovigatti, LorenzoSCIORTINO, Francesco2015-09-10T12:10:39Z2012-07-282012-07-28T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfapplication/pdfhttp://hdl.handle.net/10400.21/5158engTAVARES, J. M.; ROVIGATTI, L.; SCIORTINO, F. – Quantitative description of the self-assembly of patchy particles into chains and rings. Journal of Chemical Physics. ISSN: 0021-9606. Vol. 137, nr. 4 (2012)0021-960610.1063/1.4737930metadata only accessinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-08-03T09:48:09Zoai:repositorio.ipl.pt:10400.21/5158Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T20:14:28.603084Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Quantitative description of the self-assembly of patchy particles into chains and rings
title Quantitative description of the self-assembly of patchy particles into chains and rings
spellingShingle Quantitative description of the self-assembly of patchy particles into chains and rings
Tavares, Jose
Thermodynamic Perturbation-Theory
Directional Attractive Forces
Dynamical Monte-Carlo
Equilibrium Polymers
Fluids
Association
Simulation
Model
title_short Quantitative description of the self-assembly of patchy particles into chains and rings
title_full Quantitative description of the self-assembly of patchy particles into chains and rings
title_fullStr Quantitative description of the self-assembly of patchy particles into chains and rings
title_full_unstemmed Quantitative description of the self-assembly of patchy particles into chains and rings
title_sort Quantitative description of the self-assembly of patchy particles into chains and rings
author Tavares, Jose
author_facet Tavares, Jose
Rovigatti, Lorenzo
SCIORTINO, Francesco
author_role author
author2 Rovigatti, Lorenzo
SCIORTINO, Francesco
author2_role author
author
dc.contributor.none.fl_str_mv RCIPL
dc.contributor.author.fl_str_mv Tavares, Jose
Rovigatti, Lorenzo
SCIORTINO, Francesco
dc.subject.por.fl_str_mv Thermodynamic Perturbation-Theory
Directional Attractive Forces
Dynamical Monte-Carlo
Equilibrium Polymers
Fluids
Association
Simulation
Model
topic Thermodynamic Perturbation-Theory
Directional Attractive Forces
Dynamical Monte-Carlo
Equilibrium Polymers
Fluids
Association
Simulation
Model
description We numerically study a simple fluid composed of particles having a hard-core repulsion complemented by two patchy attractive sites on the particle poles. An appropriate choice of the patch angular width allows for the formation of ring structures which, at low temperatures and low densities, compete with the growth of linear aggregates. The simplicity of the model makes it possible to compare simulation results and theoretical predictions based on the Wertheim perturbation theory, specialized to the case in which ring formation is allowed. Such a comparison offers a unique framework for establishing the quality of the analytic predictions. We find that the Wertheim theory describes remarkably well the simulation results.
publishDate 2012
dc.date.none.fl_str_mv 2012-07-28
2012-07-28T00:00:00Z
2015-09-10T12:10:39Z
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 http://hdl.handle.net/10400.21/5158
url http://hdl.handle.net/10400.21/5158
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv TAVARES, J. M.; ROVIGATTI, L.; SCIORTINO, F. – Quantitative description of the self-assembly of patchy particles into chains and rings. Journal of Chemical Physics. ISSN: 0021-9606. Vol. 137, nr. 4 (2012)
0021-9606
10.1063/1.4737930
dc.rights.driver.fl_str_mv metadata only access
info:eu-repo/semantics/openAccess
rights_invalid_str_mv metadata only access
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
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reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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