Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity

Due to spatial scaling effects, there is a discrepancy in mineral dissolution rates measured at different spatial scales. Many reasons for this spatial scaling effect can be given. We investigate one such reason, i.e., how pore-scale spatial heterogeneity in porous media affects overall mineral diss...

Descripción completa

Detalles Bibliográficos
Autores principales: Huang, Po-Wei, Flemisch, Bernd, Qin, Chao-Zhong, Saar, Martin O., Ebigbo, Anozie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9420689/
https://www.ncbi.nlm.nih.gov/pubmed/36051176
http://dx.doi.org/10.1007/s11242-022-01817-0
_version_ 1784777443989520384
author Huang, Po-Wei
Flemisch, Bernd
Qin, Chao-Zhong
Saar, Martin O.
Ebigbo, Anozie
author_facet Huang, Po-Wei
Flemisch, Bernd
Qin, Chao-Zhong
Saar, Martin O.
Ebigbo, Anozie
author_sort Huang, Po-Wei
collection PubMed
description Due to spatial scaling effects, there is a discrepancy in mineral dissolution rates measured at different spatial scales. Many reasons for this spatial scaling effect can be given. We investigate one such reason, i.e., how pore-scale spatial heterogeneity in porous media affects overall mineral dissolution rates. Using the bundle-of-tubes model as an analogy for porous media, we show that the Darcy-scale reaction order increases as the statistical similarity between the pore sizes and the effective-surface-area ratio of the porous sample decreases. The analytical results quantify mineral spatial heterogeneity using the Darcy-scale reaction order and give a mechanistic explanation to the usage of reaction order in Darcy-scale modeling. The relation is used as a constitutive relation of reactive transport at the Darcy scale. We test the constitutive relation by simulating flow-through experiments. The proposed constitutive relation is able to model the solute breakthrough curve of the simulations. Our results imply that we can infer mineral spatial heterogeneity of a porous media using measured solute concentration over time in a flow-through dissolution experiment.
format Online
Article
Text
id pubmed-9420689
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher Springer Netherlands
record_format MEDLINE/PubMed
spelling pubmed-94206892022-08-30 Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity Huang, Po-Wei Flemisch, Bernd Qin, Chao-Zhong Saar, Martin O. Ebigbo, Anozie Transp Porous Media Article Due to spatial scaling effects, there is a discrepancy in mineral dissolution rates measured at different spatial scales. Many reasons for this spatial scaling effect can be given. We investigate one such reason, i.e., how pore-scale spatial heterogeneity in porous media affects overall mineral dissolution rates. Using the bundle-of-tubes model as an analogy for porous media, we show that the Darcy-scale reaction order increases as the statistical similarity between the pore sizes and the effective-surface-area ratio of the porous sample decreases. The analytical results quantify mineral spatial heterogeneity using the Darcy-scale reaction order and give a mechanistic explanation to the usage of reaction order in Darcy-scale modeling. The relation is used as a constitutive relation of reactive transport at the Darcy scale. We test the constitutive relation by simulating flow-through experiments. The proposed constitutive relation is able to model the solute breakthrough curve of the simulations. Our results imply that we can infer mineral spatial heterogeneity of a porous media using measured solute concentration over time in a flow-through dissolution experiment. Springer Netherlands 2022-07-15 2022 /pmc/articles/PMC9420689/ /pubmed/36051176 http://dx.doi.org/10.1007/s11242-022-01817-0 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Huang, Po-Wei
Flemisch, Bernd
Qin, Chao-Zhong
Saar, Martin O.
Ebigbo, Anozie
Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity
title Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity
title_full Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity
title_fullStr Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity
title_full_unstemmed Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity
title_short Relating Darcy-Scale Chemical Reaction Order to Pore-Scale Spatial Heterogeneity
title_sort relating darcy-scale chemical reaction order to pore-scale spatial heterogeneity
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9420689/
https://www.ncbi.nlm.nih.gov/pubmed/36051176
http://dx.doi.org/10.1007/s11242-022-01817-0
work_keys_str_mv AT huangpowei relatingdarcyscalechemicalreactionordertoporescalespatialheterogeneity
AT flemischbernd relatingdarcyscalechemicalreactionordertoporescalespatialheterogeneity
AT qinchaozhong relatingdarcyscalechemicalreactionordertoporescalespatialheterogeneity
AT saarmartino relatingdarcyscalechemicalreactionordertoporescalespatialheterogeneity
AT ebigboanozie relatingdarcyscalechemicalreactionordertoporescalespatialheterogeneity