Variational Phase-Field Fracture Approach in Reactive Porous Media

We present a comprehensive model to simulate fracture nucleation and propagation in porous media, incorporating chemical reactions. This model integrates three main processes: fluid flow in porous media, reactive transport, and the mechanical deformation of fractured porous media using a variational...

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Detalhes bibliográficos
Autores: Mollaali, Mostafa, Yoshioka, Keita, Lu, Renchao, Montoya, Vanessa, Vilarrasa, Víctor, Kolditz, Olaf
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/377618
Acesso em linha:http://hdl.handle.net/10261/377618
https://api.elsevier.com/content/abstract/scopus_id/85214237727
Access Level:acceso abierto
Palavra-chave:Reactive transport
DECOVALEX
Dissolution
EURAD
OpenGeoSys
Phase-field for brittle fracture
PHREEQC
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spelling Variational Phase-Field Fracture Approach in Reactive Porous MediaMollaali, MostafaYoshioka, KeitaLu, RenchaoMontoya, VanessaVilarrasa, VíctorKolditz, OlafReactive transportDECOVALEXDissolutionEURADOpenGeoSysPhase-field for brittle fracturePHREEQCWe present a comprehensive model to simulate fracture nucleation and propagation in porous media, incorporating chemical reactions. This model integrates three main processes: fluid flow in porous media, reactive transport, and the mechanical deformation of fractured porous media using a variational phase-field approach. To account for chemical reactions, we use the geochemical package PHREEQC, coupled with a finite-element transport solver (OpenGeoSys), to model reactions in both thermodynamic equilibrium and kinetically, considering changes in porosity. To represent chemical damage, we introduce a variable that ranges from intact material to fully damaged material. This variable accounts for changes in porosity as a result of chemical reactions, separate from the mechanical damage represented by the phase-field variable. We test our model through various examples to showcase its ability to capture fracture nucleation and propagation driven by chemical reactions. Our model is implemented within the open-source finite element framework OpenGeoSys.This work has been financed within the framework of EURAD, the European Joint Programme on Radioactive Waste Management (grant agreement No. 847593), specifically in the WP MAGIC.Peer reviewedJohn Wiley & SonsEuropean CommissionMollaali, Mostafa [0000-0003-1025-8956]Montoya, Vanessa [0000-0002-4751-3597]Vilarrasa, Víctor ]0000-0003-1169-4469]Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252025info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/10261/377618https://api.elsevier.com/content/abstract/scopus_id/85214237727reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/EC/H2020/847593The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI https://doi.org/10.1002/nme.7621https://doi.org/10.1002/nme.7621Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3776182026-05-22T06:33:51Z
dc.title.none.fl_str_mv Variational Phase-Field Fracture Approach in Reactive Porous Media
title Variational Phase-Field Fracture Approach in Reactive Porous Media
spellingShingle Variational Phase-Field Fracture Approach in Reactive Porous Media
Mollaali, Mostafa
Reactive transport
DECOVALEX
Dissolution
EURAD
OpenGeoSys
Phase-field for brittle fracture
PHREEQC
title_short Variational Phase-Field Fracture Approach in Reactive Porous Media
title_full Variational Phase-Field Fracture Approach in Reactive Porous Media
title_fullStr Variational Phase-Field Fracture Approach in Reactive Porous Media
title_full_unstemmed Variational Phase-Field Fracture Approach in Reactive Porous Media
title_sort Variational Phase-Field Fracture Approach in Reactive Porous Media
dc.creator.none.fl_str_mv Mollaali, Mostafa
Yoshioka, Keita
Lu, Renchao
Montoya, Vanessa
Vilarrasa, Víctor
Kolditz, Olaf
author Mollaali, Mostafa
author_facet Mollaali, Mostafa
Yoshioka, Keita
Lu, Renchao
Montoya, Vanessa
Vilarrasa, Víctor
Kolditz, Olaf
author_role author
author2 Yoshioka, Keita
Lu, Renchao
Montoya, Vanessa
Vilarrasa, Víctor
Kolditz, Olaf
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv European Commission
Mollaali, Mostafa [0000-0003-1025-8956]
Montoya, Vanessa [0000-0002-4751-3597]
Vilarrasa, Víctor ]0000-0003-1169-4469]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Reactive transport
DECOVALEX
Dissolution
EURAD
OpenGeoSys
Phase-field for brittle fracture
PHREEQC
topic Reactive transport
DECOVALEX
Dissolution
EURAD
OpenGeoSys
Phase-field for brittle fracture
PHREEQC
description We present a comprehensive model to simulate fracture nucleation and propagation in porous media, incorporating chemical reactions. This model integrates three main processes: fluid flow in porous media, reactive transport, and the mechanical deformation of fractured porous media using a variational phase-field approach. To account for chemical reactions, we use the geochemical package PHREEQC, coupled with a finite-element transport solver (OpenGeoSys), to model reactions in both thermodynamic equilibrium and kinetically, considering changes in porosity. To represent chemical damage, we introduce a variable that ranges from intact material to fully damaged material. This variable accounts for changes in porosity as a result of chemical reactions, separate from the mechanical damage represented by the phase-field variable. We test our model through various examples to showcase its ability to capture fracture nucleation and propagation driven by chemical reactions. Our model is implemented within the open-source finite element framework OpenGeoSys.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025
2025
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/377618
https://api.elsevier.com/content/abstract/scopus_id/85214237727
url http://hdl.handle.net/10261/377618
https://api.elsevier.com/content/abstract/scopus_id/85214237727
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
info:eu-repo/grantAgreement/EC/H2020/847593
The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI https://doi.org/10.1002/nme.7621
https://doi.org/10.1002/nme.7621
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv John Wiley & Sons
publisher.none.fl_str_mv John Wiley & Sons
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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