Linking mixing interface deformation to concentration gradients in porous media

We study the pore-scale transport of a conservative scalar forming an advancing mixing front, which can be re-interpreted to predict instantaneous mixing-limited bimolecular reactions. We investigate this using a set of two-dimensional, high-resolution numerical simulations within a poly-disperse gr...

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Autores: Farhat, Saif, Bolster, Diogo, Solé Marí, Guillem|||0000-0002-9890-079X
Formato: artículo
Fecha de publicación:2025
País:España
Recursos:Universitat Politècnica de Catalunya (UPC)
Repositorio:UPCommons. Portal del coneixement obert de la UPC
Idioma:inglés
OAI Identifier:oai:upcommons.upc.edu:2117/438840
Acesso em linha:https://hdl.handle.net/2117/438840
https://dx.doi.org/10.1103/PhysRevFluids.10.024501
Access Level:acceso abierto
Palavra-chave:Chemical kinetics
dynamics & catalysis
Contact line dynamics
Convection in porous media
Granular mixing
Laminar flows
Laminar reacting flows
Microfluidics
Mixing enhancement
Mixing in geophysical flows
Scaling laws of complex systems
Shear flows
Stratified geophysical flows
Àrees temàtiques de la UPC::Matemàtiques i estadística::Anàlisi numèrica::Mètodes numèrics
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oai_identifier_str oai:upcommons.upc.edu:2117/438840
network_acronym_str ES
network_name_str España
repository_id_str
spelling Linking mixing interface deformation to concentration gradients in porous mediaFarhat, SaifBolster, DiogoSolé Marí, Guillem|||0000-0002-9890-079XChemical kineticsdynamics & catalysisContact line dynamicsConvection in porous mediaGranular mixingLaminar flowsLaminar reacting flowsMicrofluidicsMixing enhancementMixing in geophysical flowsScaling laws of complex systemsShear flowsStratified geophysical flowsÀrees temàtiques de la UPC::Matemàtiques i estadística::Anàlisi numèrica::Mètodes numèricsWe study the pore-scale transport of a conservative scalar forming an advancing mixing front, which can be re-interpreted to predict instantaneous mixing-limited bimolecular reactions. We investigate this using a set of two-dimensional, high-resolution numerical simulations within a poly-disperse granular porous medium, covering a wide range of Péclet (Pe) numbers. The aim is to show and exploit the direct link between pore-scale concentration gradients and mixing interface (midpoint concentration isocontour). We believe that such a perspective provides a complementary new lens to better understand mixing and spreading in porous media. We develop and validate a theoretical model that quantifies the temporal elongation of the mixing interface and the upscaled reaction kinetics in mixing-limited systems accounting for pore-scale concentration fluctuations. Contrary to the classical belief that, given sufficient time, pore-scale fluctuations would eventually be washed out, we show that for Pe>1 advection generates pore-scale concentration fluctuations more rapidly than they can be fully dissipated. For such Péclet numbers, once incomplete mixing is established, it will persist indefinitely. We identify critical Péclet thresholds (Pe=18 for Poiseuille flow, Pe=48 for porous media) where reaction efficiency is minimized. Finally, our developed model accurately reproduces the reaction product mass in a three-dimensional porous media column over a wide range of Péclet numbers, demonstrating its applicability to more realistic systems.This research was funded by National Science Foundation Grant No. EAR2049688 and by the European Commission (MixUp, MSCA-101068306). The authors gratefully acknowledge the Center for Research Computing (CRC) at the University of Notre Dame for providing the computational resources used to conduct the simulations in this work.Peer ReviewedAmerican Physical Society (APS)20252025-02-1420252025-07-16journal articlehttp://purl.org/coar/resource_type/c_6501AMhttp://purl.org/coar/version/c_ab4af688f83e57aainfo:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/2117/438840https://dx.doi.org/10.1103/PhysRevFluids.10.024501reponame:UPCommons. Portal del coneixement obert de la UPCinstname:Universitat Politècnica de Catalunya (UPC)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:upcommons.upc.edu:2117/4388402026-05-27T15:37:01Z
dc.title.none.fl_str_mv Linking mixing interface deformation to concentration gradients in porous media
title Linking mixing interface deformation to concentration gradients in porous media
spellingShingle Linking mixing interface deformation to concentration gradients in porous media
Farhat, Saif
Chemical kinetics
dynamics & catalysis
Contact line dynamics
Convection in porous media
Granular mixing
Laminar flows
Laminar reacting flows
Microfluidics
Mixing enhancement
Mixing in geophysical flows
Scaling laws of complex systems
Shear flows
Stratified geophysical flows
Àrees temàtiques de la UPC::Matemàtiques i estadística::Anàlisi numèrica::Mètodes numèrics
title_short Linking mixing interface deformation to concentration gradients in porous media
title_full Linking mixing interface deformation to concentration gradients in porous media
title_fullStr Linking mixing interface deformation to concentration gradients in porous media
title_full_unstemmed Linking mixing interface deformation to concentration gradients in porous media
title_sort Linking mixing interface deformation to concentration gradients in porous media
dc.creator.none.fl_str_mv Farhat, Saif
Bolster, Diogo
Solé Marí, Guillem|||0000-0002-9890-079X
author Farhat, Saif
author_facet Farhat, Saif
Bolster, Diogo
Solé Marí, Guillem|||0000-0002-9890-079X
author_role author
author2 Bolster, Diogo
Solé Marí, Guillem|||0000-0002-9890-079X
author2_role author
author
dc.subject.none.fl_str_mv Chemical kinetics
dynamics & catalysis
Contact line dynamics
Convection in porous media
Granular mixing
Laminar flows
Laminar reacting flows
Microfluidics
Mixing enhancement
Mixing in geophysical flows
Scaling laws of complex systems
Shear flows
Stratified geophysical flows
Àrees temàtiques de la UPC::Matemàtiques i estadística::Anàlisi numèrica::Mètodes numèrics
topic Chemical kinetics
dynamics & catalysis
Contact line dynamics
Convection in porous media
Granular mixing
Laminar flows
Laminar reacting flows
Microfluidics
Mixing enhancement
Mixing in geophysical flows
Scaling laws of complex systems
Shear flows
Stratified geophysical flows
Àrees temàtiques de la UPC::Matemàtiques i estadística::Anàlisi numèrica::Mètodes numèrics
description We study the pore-scale transport of a conservative scalar forming an advancing mixing front, which can be re-interpreted to predict instantaneous mixing-limited bimolecular reactions. We investigate this using a set of two-dimensional, high-resolution numerical simulations within a poly-disperse granular porous medium, covering a wide range of Péclet (Pe) numbers. The aim is to show and exploit the direct link between pore-scale concentration gradients and mixing interface (midpoint concentration isocontour). We believe that such a perspective provides a complementary new lens to better understand mixing and spreading in porous media. We develop and validate a theoretical model that quantifies the temporal elongation of the mixing interface and the upscaled reaction kinetics in mixing-limited systems accounting for pore-scale concentration fluctuations. Contrary to the classical belief that, given sufficient time, pore-scale fluctuations would eventually be washed out, we show that for Pe>1 advection generates pore-scale concentration fluctuations more rapidly than they can be fully dissipated. For such Péclet numbers, once incomplete mixing is established, it will persist indefinitely. We identify critical Péclet thresholds (Pe=18 for Poiseuille flow, Pe=48 for porous media) where reaction efficiency is minimized. Finally, our developed model accurately reproduces the reaction product mass in a three-dimensional porous media column over a wide range of Péclet numbers, demonstrating its applicability to more realistic systems.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025-02-14
2025
2025-07-16
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
AM
http://purl.org/coar/version/c_ab4af688f83e57aa
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/2117/438840
https://dx.doi.org/10.1103/PhysRevFluids.10.024501
url https://hdl.handle.net/2117/438840
https://dx.doi.org/10.1103/PhysRevFluids.10.024501
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Physical Society (APS)
publisher.none.fl_str_mv American Physical Society (APS)
dc.source.none.fl_str_mv reponame:UPCommons. Portal del coneixement obert de la UPC
instname:Universitat Politècnica de Catalunya (UPC)
instname_str Universitat Politècnica de Catalunya (UPC)
reponame_str UPCommons. Portal del coneixement obert de la UPC
collection UPCommons. Portal del coneixement obert de la UPC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,811543

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