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

Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina.

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Detalles Bibliográficos
Autores principales: Pereyra, Rodolfo Guillermo, Al-Maadeed, Mariam Al-Ali, Carignano, Marcelo Andrés
Otros Autores: https://orcid.org/0000-0002-2099-3244
Formato: publishedVersion article
Lenguaje:Inglés
Publicado: 2024
Materias:
Modeling and simulation
Polymer gels
Structural propierties
Acceso en línea:http://hdl.handle.net/11086/552212
https://doi.org/10.3144/expresspolymlett.2017.21
Aporte de:
Repositorio Digital Universitario (UNC) de Universidad Nacional de Córdoba
id I10-R141-11086-552212
record_format dspace
spelling I10-R141-11086-5522122024-06-06T13:32:30Z Modeling polymeric gels : the role of chain flexibility on the structure of physical gels Pereyra, Rodolfo Guillermo Al-Maadeed, Mariam Al-Ali Carignano, Marcelo Andrés https://orcid.org/0000-0002-2099-3244 https://orcid.org/0000-0002-2030-2159 https://orcid.org/0000-0001-8345-7724 Modeling and simulation Polymer gels Structural propierties info:eu-repo/semantics/publishedVersion Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina. Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Fil: Pereyra, Rodolfo Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Física Enrique Gaviola; Argentina. Fil: Al-Maadeed, Mariam Al-Ali. Qatar University. Center for Advanced Materials; Qatar. Fil: Carignano, Marcelo Andrés. Hamad bin Khalifa University. Qatar Environment and Energy Research Institut; Qatar. 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. info:eu-repo/semantics/publishedVersion Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina. Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Fil: Pereyra, Rodolfo Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Física Enrique Gaviola; Argentina. Fil: Al-Maadeed, Mariam Al-Ali. Qatar University. Center for Advanced Materials; Qatar. Fil: Carignano, Marcelo Andrés. Hamad bin Khalifa University. Qatar Environment and Energy Research Institut; Qatar. Física Atómica, Molecular y Química (física de átomos y moléculas incluyendo colisión, interacción con radiación, resonancia magnética, Moessbauer Efecto.) 2024-06-06T13:08:05Z 2024-06-06T13:08:05Z 2017 article Pereyra, R. G., Al-Maadeed, M. A. y Carignano, M. A. (2017). Modeling polymeric gels : the role of chain flexibility on the structure of physical gels. Express Polymer Letters, 11 (3), 199-208. https://doi.org/10.3144/expresspolymlett.2017.21 http://hdl.handle.net/11086/552212 https://doi.org/10.3144/expresspolymlett.2017.21 eng Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ Impreso; Electrónico y/o Digital ISSN: 1788-618X
institution Universidad Nacional de Córdoba
institution_str I-10
repository_str R-141
collection Repositorio Digital Universitario (UNC)
language Inglés
topic Modeling and simulation
Polymer gels
Structural propierties
spellingShingle Modeling and simulation
Polymer gels
Structural propierties
Pereyra, Rodolfo Guillermo
Al-Maadeed, Mariam Al-Ali
Carignano, Marcelo Andrés
Modeling polymeric gels : the role of chain flexibility on the structure of physical gels
topic_facet Modeling and simulation
Polymer gels
Structural propierties
description Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación; Argentina.
author2 https://orcid.org/0000-0002-2099-3244
author_facet https://orcid.org/0000-0002-2099-3244
Pereyra, Rodolfo Guillermo
Al-Maadeed, Mariam Al-Ali
Carignano, Marcelo Andrés
format publishedVersion
article
author Pereyra, Rodolfo Guillermo
Al-Maadeed, Mariam Al-Ali
Carignano, Marcelo Andrés
author_sort Pereyra, Rodolfo Guillermo
title Modeling polymeric gels : the role of chain flexibility on the structure of physical gels
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
publishDate 2024
url http://hdl.handle.net/11086/552212
https://doi.org/10.3144/expresspolymlett.2017.21
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