muFlowReacT: A Library to Solve Multiphase Multicomponent Reactive Transport on Unstructured Meshes.
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| Title: | muFlowReacT: A Library to Solve Multiphase Multicomponent Reactive Transport on Unstructured Meshes. |
|---|---|
| Authors: | Atteia, O.1 (AUTHOR) olivier.atteia@ensegid.fr, Prommer, H.2,3 (AUTHOR), Vlassopoulos, D.4 (AUTHOR), André, L.5 (AUTHOR), Cohen, G.1 (AUTHOR) |
| Source: | Ground Water. May2024, Vol. 62 Issue 3, p357-370. 14p. |
| Subjects: | Groundwater quality, Carbonate minerals, Unsaturated compounds, Mathematical ability, Advection, Geological carbon sequestration |
| Abstract: | In this paper we present a new reactive transport code for the efficient simulation of groundwater quality problems. The new code couples the two previously existing tools OpenFoam and PhreeqcRM. The major objective of the development was to transfer and expand the capabilities of the MODFLOW/MT3DMS‐family of codes, especially their outstanding ability to suppress numerical dispersion, to a versatile and computationally efficient code for unstructured grids. Owing to the numerous, previously existing transport solvers contained in OpenFoam, the newly developed code achieves this objective and provides a solid basis for future expansions of the code capabilities. The flexibility of the OpenFoam framework is illustrated by the addition of diffusional processes for gaseous compounds in the unsaturated zone and the advection of gases (multiphase transport). The code capabilities and accuracy are illustrated through several examples: (1) a simple 2D case for conservative solute transport under saturated conditions, (2) a gas diffusion case with reactions in the unsaturated zone, (3) a hydrogeologically complex 3D reactive transport problem, and finally (4) the injection of CO2 into a deep aquifer with acidification being buffered by carbonate minerals. Article impact statement: This paper shows the setup of a new reactive code coupling OpenFoam and Phreeqc with specific abilities to solve small dispersion in unstructured mesh, and reactive gas transport. [ABSTRACT FROM AUTHOR] |
| Copyright of Ground Water is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 176897510 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: muFlowReacT: A Library to Solve Multiphase Multicomponent Reactive Transport on Unstructured Meshes. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Atteia%2C+O%2E%22">Atteia, O.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> olivier.atteia@ensegid.fr</i><br /><searchLink fieldCode="AR" term="%22Prommer%2C+H%2E%22">Prommer, H.</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Vlassopoulos%2C+D%2E%22">Vlassopoulos, D.</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22André%2C+L%2E%22">André, L.</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Cohen%2C+G%2E%22">Cohen, G.</searchLink><relatesTo>1</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Ground+Water%22">Ground Water</searchLink>. May2024, Vol. 62 Issue 3, p357-370. 14p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Groundwater+quality%22">Groundwater quality</searchLink><br /><searchLink fieldCode="DE" term="%22Carbonate+minerals%22">Carbonate minerals</searchLink><br /><searchLink fieldCode="DE" term="%22Unsaturated+compounds%22">Unsaturated compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Mathematical+ability%22">Mathematical ability</searchLink><br /><searchLink fieldCode="DE" term="%22Advection%22">Advection</searchLink><br /><searchLink fieldCode="DE" term="%22Geological+carbon+sequestration%22">Geological carbon sequestration</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: In this paper we present a new reactive transport code for the efficient simulation of groundwater quality problems. The new code couples the two previously existing tools OpenFoam and PhreeqcRM. The major objective of the development was to transfer and expand the capabilities of the MODFLOW/MT3DMS‐family of codes, especially their outstanding ability to suppress numerical dispersion, to a versatile and computationally efficient code for unstructured grids. Owing to the numerous, previously existing transport solvers contained in OpenFoam, the newly developed code achieves this objective and provides a solid basis for future expansions of the code capabilities. The flexibility of the OpenFoam framework is illustrated by the addition of diffusional processes for gaseous compounds in the unsaturated zone and the advection of gases (multiphase transport). The code capabilities and accuracy are illustrated through several examples: (1) a simple 2D case for conservative solute transport under saturated conditions, (2) a gas diffusion case with reactions in the unsaturated zone, (3) a hydrogeologically complex 3D reactive transport problem, and finally (4) the injection of CO2 into a deep aquifer with acidification being buffered by carbonate minerals. Article impact statement: This paper shows the setup of a new reactive code coupling OpenFoam and Phreeqc with specific abilities to solve small dispersion in unstructured mesh, and reactive gas transport. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Ground Water is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1111/gwat.13345 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 14 StartPage: 357 Subjects: – SubjectFull: Groundwater quality Type: general – SubjectFull: Carbonate minerals Type: general – SubjectFull: Unsaturated compounds Type: general – SubjectFull: Mathematical ability Type: general – SubjectFull: Advection Type: general – SubjectFull: Geological carbon sequestration Type: general Titles: – TitleFull: muFlowReacT: A Library to Solve Multiphase Multicomponent Reactive Transport on Unstructured Meshes. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Atteia, O. – PersonEntity: Name: NameFull: Prommer, H. – PersonEntity: Name: NameFull: Vlassopoulos, D. – PersonEntity: Name: NameFull: André, L. – PersonEntity: Name: NameFull: Cohen, G. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 05 Text: May2024 Type: published Y: 2024 Identifiers: – Type: issn-print Value: 0017467X Numbering: – Type: volume Value: 62 – Type: issue Value: 3 Titles: – TitleFull: Ground Water Type: main |
| ResultId | 1 |
