Modeling polymeric gels: The role of chain flexibility on the structure of physical gels

Autores
Pereyra, Rodolfo Guillermo; Al-Maadeed, M. A.; Carignano, M. A.
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Using molecular dynamics simulations and a simple model for chain molecules we study the gel formation under different conditions. The main characteristic of the model is the short attractive range of the non-bonding interaction, which leads to the formation of a single percolated cluster trapped in long lived metastable state that resemble the properties of polymeric physical gels. The gels are formed by imposing a sudden quenching on well equilibrated high temperature conformations. In particular, we investigated the effect of concentration and polymer persistence length on the resulting percolated structures. Using a Monte Carlo approach, we characterize the size of the cavities that develop inside the bulk of the gels. The results show that polymers with higher persistence length produce gel structures with smaller cavities.
Fil: Pereyra, Rodolfo Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Al-Maadeed, M. A.. Qatar University; Qatar
Fil: Carignano, M. A.. Hamad bin Khalifa University; Qatar
Materia
MODELING AND SIMULATION
POLYMER GELS
STRUCTURAL PROPIERTIES
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/63710
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/63710
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Modeling polymeric gels: The role of chain flexibility on the structure of physical gelsPereyra, Rodolfo GuillermoAl-Maadeed, M. A.Carignano, M. A.MODELING AND SIMULATIONPOLYMER GELSSTRUCTURAL PROPIERTIEShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Using molecular dynamics simulations and a simple model for chain molecules we study the gel formation under different conditions. The main characteristic of the model is the short attractive range of the non-bonding interaction, which leads to the formation of a single percolated cluster trapped in long lived metastable state that resemble the properties of polymeric physical gels. The gels are formed by imposing a sudden quenching on well equilibrated high temperature conformations. In particular, we investigated the effect of concentration and polymer persistence length on the resulting percolated structures. Using a Monte Carlo approach, we characterize the size of the cavities that develop inside the bulk of the gels. The results show that polymers with higher persistence length produce gel structures with smaller cavities.Fil: Pereyra, Rodolfo Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; ArgentinaFil: Al-Maadeed, M. A.. Qatar University; QatarFil: Carignano, M. A.. Hamad bin Khalifa University; QatarBudapest University of Technology and Economics2017-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/63710Pereyra, Rodolfo Guillermo; Al-Maadeed, M. A.; Carignano, M. A.; Modeling polymeric gels: The role of chain flexibility on the structure of physical gels; Budapest University of Technology and Economics; Express Polymer Letters; 11; 3; 3-2017; 199-2081788-618XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.3144/expresspolymlett.2017.21info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-12T09:41:42Zoai:ri.conicet.gov.ar:11336/63710instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-11-12 09:41:43.018CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Modeling polymeric gels: The role of chain flexibility on the structure of physical gels
title Modeling polymeric gels: The role of chain flexibility on the structure of physical gels
spellingShingle Modeling polymeric gels: The role of chain flexibility on the structure of physical gels
Pereyra, Rodolfo Guillermo
MODELING AND SIMULATION
POLYMER GELS
STRUCTURAL PROPIERTIES
title_short Modeling polymeric gels: The role of chain flexibility on the structure of physical gels
title_full Modeling polymeric gels: The role of chain flexibility on the structure of physical gels
title_fullStr Modeling polymeric gels: The role of chain flexibility on the structure of physical gels
title_full_unstemmed Modeling polymeric gels: The role of chain flexibility on the structure of physical gels
title_sort Modeling polymeric gels: The role of chain flexibility on the structure of physical gels
dc.creator.none.fl_str_mv Pereyra, Rodolfo Guillermo
Al-Maadeed, M. A.
Carignano, M. A.
author Pereyra, Rodolfo Guillermo
author_facet Pereyra, Rodolfo Guillermo
Al-Maadeed, M. A.
Carignano, M. A.
author_role author
author2 Al-Maadeed, M. A.
Carignano, M. A.
author2_role author
author
dc.subject.none.fl_str_mv MODELING AND SIMULATION
POLYMER GELS
STRUCTURAL PROPIERTIES
topic MODELING AND SIMULATION
POLYMER GELS
STRUCTURAL PROPIERTIES
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Using molecular dynamics simulations and a simple model for chain molecules we study the gel formation under different conditions. The main characteristic of the model is the short attractive range of the non-bonding interaction, which leads to the formation of a single percolated cluster trapped in long lived metastable state that resemble the properties of polymeric physical gels. The gels are formed by imposing a sudden quenching on well equilibrated high temperature conformations. In particular, we investigated the effect of concentration and polymer persistence length on the resulting percolated structures. Using a Monte Carlo approach, we characterize the size of the cavities that develop inside the bulk of the gels. The results show that polymers with higher persistence length produce gel structures with smaller cavities.
Fil: Pereyra, Rodolfo Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Al-Maadeed, M. A.. Qatar University; Qatar
Fil: Carignano, M. A.. Hamad bin Khalifa University; Qatar
description Using molecular dynamics simulations and a simple model for chain molecules we study the gel formation under different conditions. The main characteristic of the model is the short attractive range of the non-bonding interaction, which leads to the formation of a single percolated cluster trapped in long lived metastable state that resemble the properties of polymeric physical gels. The gels are formed by imposing a sudden quenching on well equilibrated high temperature conformations. In particular, we investigated the effect of concentration and polymer persistence length on the resulting percolated structures. Using a Monte Carlo approach, we characterize the size of the cavities that develop inside the bulk of the gels. The results show that polymers with higher persistence length produce gel structures with smaller cavities.
publishDate 2017
dc.date.none.fl_str_mv 2017-03
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/63710
Pereyra, Rodolfo Guillermo; Al-Maadeed, M. A.; Carignano, M. A.; Modeling polymeric gels: The role of chain flexibility on the structure of physical gels; Budapest University of Technology and Economics; Express Polymer Letters; 11; 3; 3-2017; 199-208
1788-618X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/63710
identifier_str_mv Pereyra, Rodolfo Guillermo; Al-Maadeed, M. A.; Carignano, M. A.; Modeling polymeric gels: The role of chain flexibility on the structure of physical gels; Budapest University of Technology and Economics; Express Polymer Letters; 11; 3; 3-2017; 199-208
1788-618X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.3144/expresspolymlett.2017.21
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Budapest University of Technology and Economics
publisher.none.fl_str_mv Budapest University of Technology and Economics
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.24909

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