Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model

Autores
Prill, Torben; Jeulin, Dominique; Willot, François; Balach, Juan Manuel; Soldera, Flavio
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Pore structures have a major impact on the transport and electrical properties of electrochemical devices, such as batteries and electric double-layer capacitors (EDLCs). In this work we are concerned with the prediction of the electrical conductivity, ion diffusivity and volumetric capacitance of EDLC electrodes, manufactured from hierarchically porous carbons. To investigate the dependence of the effective properties on the pore structures, we use a structurally resolved parametric model of a random medium. Our approach starts from 3D FIB-SEM imaging, combined with automatic segmentation. Then, a random set model is fitted to the segmented structures and the effective transport properties are predicted using full field simulations by iterations of FFT on 3D pore space images and calculations based on the geometric properties of the structure model. A parameter study of the model is used to investigate the sensitivity of the effective conductivity and diffusivity to changes in the model parameters. Finally, we investigate the volumetric capacitance of the EDLC electrodes with a geometric model, make a comparison with experimental measurements and do a parameter study to suggest improved microstructures.
Fil: Prill, Torben. Fraunhofer ITWM; Alemania
Fil: Jeulin, Dominique. Fraunhofer ITWM; Alemania
Fil: Willot, François. Fraunhofer ITWM; Alemania
Fil: Balach, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Departamento de Química; Argentina
Fil: Soldera, Flavio. Universitat Saarland; Alemania
Materia
DOUBLE-LAYER CAPACITOR
FIB-SEM NANOTOMOGRAPHY
POROUS ELECTRODES
STOCHASTIC MODELING
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:11336/85481
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological ModelPrill, TorbenJeulin, DominiqueWillot, FrançoisBalach, Juan ManuelSoldera, FlavioDOUBLE-LAYER CAPACITORFIB-SEM NANOTOMOGRAPHYPOROUS ELECTRODESSTOCHASTIC MODELINGhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Pore structures have a major impact on the transport and electrical properties of electrochemical devices, such as batteries and electric double-layer capacitors (EDLCs). In this work we are concerned with the prediction of the electrical conductivity, ion diffusivity and volumetric capacitance of EDLC electrodes, manufactured from hierarchically porous carbons. To investigate the dependence of the effective properties on the pore structures, we use a structurally resolved parametric model of a random medium. Our approach starts from 3D FIB-SEM imaging, combined with automatic segmentation. Then, a random set model is fitted to the segmented structures and the effective transport properties are predicted using full field simulations by iterations of FFT on 3D pore space images and calculations based on the geometric properties of the structure model. A parameter study of the model is used to investigate the sensitivity of the effective conductivity and diffusivity to changes in the model parameters. Finally, we investigate the volumetric capacitance of the EDLC electrodes with a geometric model, make a comparison with experimental measurements and do a parameter study to suggest improved microstructures.Fil: Prill, Torben. Fraunhofer ITWM; AlemaniaFil: Jeulin, Dominique. Fraunhofer ITWM; AlemaniaFil: Willot, François. Fraunhofer ITWM; AlemaniaFil: Balach, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Departamento de Química; ArgentinaFil: Soldera, Flavio. Universitat Saarland; AlemaniaSpringer2017-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/85481Prill, Torben; Jeulin, Dominique; Willot, François; Balach, Juan Manuel; Soldera, Flavio; Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model; Springer; Transport In Porous Media; 120; 1; 10-2017; 141-1650169-3913CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://link.springer.com/10.1007/s11242-017-0913-1info:eu-repo/semantics/altIdentifier/doi/10.1007/s11242-017-0913-1info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-04-15T10:14:44Zoai:ri.conicet.gov.ar:11336/85481instacron: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:34982026-04-15 10:14:44.892CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model
title Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model
spellingShingle Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model
Prill, Torben
DOUBLE-LAYER CAPACITOR
FIB-SEM NANOTOMOGRAPHY
POROUS ELECTRODES
STOCHASTIC MODELING
title_short Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model
title_full Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model
title_fullStr Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model
title_full_unstemmed Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model
title_sort Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model
dc.creator.none.fl_str_mv Prill, Torben
Jeulin, Dominique
Willot, François
Balach, Juan Manuel
Soldera, Flavio
author Prill, Torben
author_facet Prill, Torben
Jeulin, Dominique
Willot, François
Balach, Juan Manuel
Soldera, Flavio
author_role author
author2 Jeulin, Dominique
Willot, François
Balach, Juan Manuel
Soldera, Flavio
author2_role author
author
author
author
dc.subject.none.fl_str_mv DOUBLE-LAYER CAPACITOR
FIB-SEM NANOTOMOGRAPHY
POROUS ELECTRODES
STOCHASTIC MODELING
topic DOUBLE-LAYER CAPACITOR
FIB-SEM NANOTOMOGRAPHY
POROUS ELECTRODES
STOCHASTIC MODELING
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Pore structures have a major impact on the transport and electrical properties of electrochemical devices, such as batteries and electric double-layer capacitors (EDLCs). In this work we are concerned with the prediction of the electrical conductivity, ion diffusivity and volumetric capacitance of EDLC electrodes, manufactured from hierarchically porous carbons. To investigate the dependence of the effective properties on the pore structures, we use a structurally resolved parametric model of a random medium. Our approach starts from 3D FIB-SEM imaging, combined with automatic segmentation. Then, a random set model is fitted to the segmented structures and the effective transport properties are predicted using full field simulations by iterations of FFT on 3D pore space images and calculations based on the geometric properties of the structure model. A parameter study of the model is used to investigate the sensitivity of the effective conductivity and diffusivity to changes in the model parameters. Finally, we investigate the volumetric capacitance of the EDLC electrodes with a geometric model, make a comparison with experimental measurements and do a parameter study to suggest improved microstructures.
Fil: Prill, Torben. Fraunhofer ITWM; Alemania
Fil: Jeulin, Dominique. Fraunhofer ITWM; Alemania
Fil: Willot, François. Fraunhofer ITWM; Alemania
Fil: Balach, Juan Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Nacional de Río Cuarto. Facultad de Ciencias Exactas Fisicoquímicas y Naturales. Departamento de Química; Argentina
Fil: Soldera, Flavio. Universitat Saarland; Alemania
description Pore structures have a major impact on the transport and electrical properties of electrochemical devices, such as batteries and electric double-layer capacitors (EDLCs). In this work we are concerned with the prediction of the electrical conductivity, ion diffusivity and volumetric capacitance of EDLC electrodes, manufactured from hierarchically porous carbons. To investigate the dependence of the effective properties on the pore structures, we use a structurally resolved parametric model of a random medium. Our approach starts from 3D FIB-SEM imaging, combined with automatic segmentation. Then, a random set model is fitted to the segmented structures and the effective transport properties are predicted using full field simulations by iterations of FFT on 3D pore space images and calculations based on the geometric properties of the structure model. A parameter study of the model is used to investigate the sensitivity of the effective conductivity and diffusivity to changes in the model parameters. Finally, we investigate the volumetric capacitance of the EDLC electrodes with a geometric model, make a comparison with experimental measurements and do a parameter study to suggest improved microstructures.
publishDate 2017
dc.date.none.fl_str_mv 2017-10
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/11336/85481
Prill, Torben; Jeulin, Dominique; Willot, François; Balach, Juan Manuel; Soldera, Flavio; Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model; Springer; Transport In Porous Media; 120; 1; 10-2017; 141-165
0169-3913
CONICET Digital
CONICET
url http://hdl.handle.net/11336/85481
identifier_str_mv Prill, Torben; Jeulin, Dominique; Willot, François; Balach, Juan Manuel; Soldera, Flavio; Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model; Springer; Transport In Porous Media; 120; 1; 10-2017; 141-165
0169-3913
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://link.springer.com/10.1007/s11242-017-0913-1
info:eu-repo/semantics/altIdentifier/doi/10.1007/s11242-017-0913-1
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 Springer
publisher.none.fl_str_mv Springer
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 13.203462

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