The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models

Autores
Dondero, Marco; Tomba, Juan Pablo; Cisilino, Adrian Pablo
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This work presents results of numerical simulations along with the development of simple analytical forms aimed at predicting diffusivity in barrier membranes with randomly dispersed flakes. Simulations are performed using Boundary Element models of representative volume elements that account for the barrier microstructures with high level of detail. Microstructural features such as flake aspect ratio (α) and volume fraction (φ) are varied in the range of practical interest (0.1 ≤ αφ ≤ 5). Numerical simulations also address the effects of the flake orientational order. Simulation results are used to develop a new model that predicts the elements of the diffusivity matrix as a function of flake arrangement. The basic idea behind the proposed model is to assimilate the parameter proposed by Bharadwaj to describe flake orientational order into the diffusivity model by Lape, which was originally developed for uniformly oriented flakes. The model predictions are shown to be consistent with theoretical limiting behaviors and with those of other models in the literature. The proposed model is among the few ones that accounts for the disorder in the flake orientation, which is found to have a noticeable impact on diffusivity in the direction parallel to the flake orientation.
Fil: Dondero, Marco. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Tomba, Juan Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Cisilino, Adrian Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Materia
Barrier Mebrane
Permeability Model
Orientational Order
Numerical Simulation
Analytical Model
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:11336/33384
Acceder
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network_name_str CONICET Digital (CONICET)
spelling The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive modelsDondero, MarcoTomba, Juan PabloCisilino, Adrian PabloBarrier MebranePermeability ModelOrientational OrderNumerical SimulationAnalytical Modelhttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2This work presents results of numerical simulations along with the development of simple analytical forms aimed at predicting diffusivity in barrier membranes with randomly dispersed flakes. Simulations are performed using Boundary Element models of representative volume elements that account for the barrier microstructures with high level of detail. Microstructural features such as flake aspect ratio (α) and volume fraction (φ) are varied in the range of practical interest (0.1 ≤ αφ ≤ 5). Numerical simulations also address the effects of the flake orientational order. Simulation results are used to develop a new model that predicts the elements of the diffusivity matrix as a function of flake arrangement. The basic idea behind the proposed model is to assimilate the parameter proposed by Bharadwaj to describe flake orientational order into the diffusivity model by Lape, which was originally developed for uniformly oriented flakes. The model predictions are shown to be consistent with theoretical limiting behaviors and with those of other models in the literature. The proposed model is among the few ones that accounts for the disorder in the flake orientation, which is found to have a noticeable impact on diffusivity in the direction parallel to the flake orientation.Fil: Dondero, Marco. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaFil: Tomba, Juan Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaFil: Cisilino, Adrian Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaElsevier Science2016-04-26info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/33384Dondero, Marco; Tomba, Juan Pablo; Cisilino, Adrian Pablo; The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models; Elsevier Science; Journal of Membrane Science; 514; 26-4-2016; 95-1040376-7388CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0376738816303015?via%3Dihubinfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.memsci.2016.04.064info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:23:08Zoai:ri.conicet.gov.ar:11336/33384instacron: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:34982025-10-15 14:23:08.311CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models
title The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models
spellingShingle The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models
Dondero, Marco
Barrier Mebrane
Permeability Model
Orientational Order
Numerical Simulation
Analytical Model
title_short The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models
title_full The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models
title_fullStr The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models
title_full_unstemmed The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models
title_sort The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models
dc.creator.none.fl_str_mv Dondero, Marco
Tomba, Juan Pablo
Cisilino, Adrian Pablo
author Dondero, Marco
author_facet Dondero, Marco
Tomba, Juan Pablo
Cisilino, Adrian Pablo
author_role author
author2 Tomba, Juan Pablo
Cisilino, Adrian Pablo
author2_role author
author
dc.subject.none.fl_str_mv Barrier Mebrane
Permeability Model
Orientational Order
Numerical Simulation
Analytical Model
topic Barrier Mebrane
Permeability Model
Orientational Order
Numerical Simulation
Analytical Model
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv This work presents results of numerical simulations along with the development of simple analytical forms aimed at predicting diffusivity in barrier membranes with randomly dispersed flakes. Simulations are performed using Boundary Element models of representative volume elements that account for the barrier microstructures with high level of detail. Microstructural features such as flake aspect ratio (α) and volume fraction (φ) are varied in the range of practical interest (0.1 ≤ αφ ≤ 5). Numerical simulations also address the effects of the flake orientational order. Simulation results are used to develop a new model that predicts the elements of the diffusivity matrix as a function of flake arrangement. The basic idea behind the proposed model is to assimilate the parameter proposed by Bharadwaj to describe flake orientational order into the diffusivity model by Lape, which was originally developed for uniformly oriented flakes. The model predictions are shown to be consistent with theoretical limiting behaviors and with those of other models in the literature. The proposed model is among the few ones that accounts for the disorder in the flake orientation, which is found to have a noticeable impact on diffusivity in the direction parallel to the flake orientation.
Fil: Dondero, Marco. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Tomba, Juan Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Cisilino, Adrian Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
description This work presents results of numerical simulations along with the development of simple analytical forms aimed at predicting diffusivity in barrier membranes with randomly dispersed flakes. Simulations are performed using Boundary Element models of representative volume elements that account for the barrier microstructures with high level of detail. Microstructural features such as flake aspect ratio (α) and volume fraction (φ) are varied in the range of practical interest (0.1 ≤ αφ ≤ 5). Numerical simulations also address the effects of the flake orientational order. Simulation results are used to develop a new model that predicts the elements of the diffusivity matrix as a function of flake arrangement. The basic idea behind the proposed model is to assimilate the parameter proposed by Bharadwaj to describe flake orientational order into the diffusivity model by Lape, which was originally developed for uniformly oriented flakes. The model predictions are shown to be consistent with theoretical limiting behaviors and with those of other models in the literature. The proposed model is among the few ones that accounts for the disorder in the flake orientation, which is found to have a noticeable impact on diffusivity in the direction parallel to the flake orientation.
publishDate 2016
dc.date.none.fl_str_mv 2016-04-26
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/11336/33384
Dondero, Marco; Tomba, Juan Pablo; Cisilino, Adrian Pablo; The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models; Elsevier Science; Journal of Membrane Science; 514; 26-4-2016; 95-104
0376-7388
CONICET Digital
CONICET
url http://hdl.handle.net/11336/33384
identifier_str_mv Dondero, Marco; Tomba, Juan Pablo; Cisilino, Adrian Pablo; The effect of flake orientation on the permeability of barrier membranes: numerical simulations and predictive models; Elsevier Science; Journal of Membrane Science; 514; 26-4-2016; 95-104
0376-7388
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0376738816303015?via%3Dihub
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.memsci.2016.04.064
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
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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 13.221938

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