BioReactPy: an open-source software for simulation of microbial-mediated reactive processes in porous media
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| Název: | BioReactPy: an open-source software for simulation of microbial-mediated reactive processes in porous media |
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| Autoři: | Starnoni, Michele, Dawi, Malik Ali A., Sánchez Vila, Francisco Javier |
| Přispěvatelé: | Universitat Politècnica de Catalunya. Departament d'Enginyeria Civil i Ambiental, Universitat Politècnica de Catalunya. GHS - Grup d'Hidrologia Subterrània |
| Rok vydání: | 2024 |
| Sbírka: | Universitat Politècnica de Catalunya, BarcelonaTech: UPCommons - Global access to UPC knowledge |
| Témata: | Àrees temàtiques de la UPC::Enginyeria civil::Geologia::Hidrologia subterrània, Biogeochemistry, Microbial processes, Numerical simulations, Reactive transport modeling, Open-source software, Multiscale simulations, Multiphysics, Micro-continuum, Biogeoquímica |
| Popis: | This paper provides a new open-source software, named BioReactPy, for simulation of microbial-mediated coupled processes of flow and reactive transport in porous media. The software is based on the micro-continuum approach, and geochemistry is handled in a fully coupled manner with biomass-nutrient growth treated with Monod equation in a single integrated framework, without dependencies on third party packages. The distinguishing features of the software, its design principles, and formulation of multiphysics problems and discretizations are discussed. Validation of the Python implementation using several established benchmarks for flow, reactive transport, and biomass growth is presented. The flexibility of the framework is then illustrated by simulations of highly non-linearly coupled flow and microbial reactive transport at conditions relevant to carbon mineralization for CO2 storage. All results can be reproduced by openly available simulation scripts. ; This project has received funding from the European Union’s Horizon 2021 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 101063414 – CO2FOREARM. ; Peer Reviewed ; Postprint (published version) |
| Druh dokumentu: | article in journal/newspaper |
| Popis souboru: | application/pdf |
| Jazyk: | English |
| Relation: | https://www.sciencedirect.com/science/article/pii/S2590197424000132; info:eu-repo/grantAgreement/EC/HE/101063414/EU/Fundamental Study of CO2 Storage through Microbially Enhanced Carbon Mineralization (CO2FOREARM)/CO2FOREARM; http://hdl.handle.net/2117/407423 |
| DOI: | 10.5281/zenodo.11035051 |
| DOI: | 10.1016/j.acags.2024.100166 |
| Dostupnost: | http://hdl.handle.net/2117/407423 https://zenodo.org/doi/10.5281/zenodo.11035051 https://doi.org/10.1016/j.acags.2024.100166 |
| Rights: | Attribution 4.0 International ; http://creativecommons.org/licenses/by/4.0/ ; Open Access |
| Přístupové číslo: | edsbas.F83262AB |
| Databáze: | BASE |
Nájsť tento článok vo Web of Science | Abstrakt: | This paper provides a new open-source software, named BioReactPy, for simulation of microbial-mediated coupled processes of flow and reactive transport in porous media. The software is based on the micro-continuum approach, and geochemistry is handled in a fully coupled manner with biomass-nutrient growth treated with Monod equation in a single integrated framework, without dependencies on third party packages. The distinguishing features of the software, its design principles, and formulation of multiphysics problems and discretizations are discussed. Validation of the Python implementation using several established benchmarks for flow, reactive transport, and biomass growth is presented. The flexibility of the framework is then illustrated by simulations of highly non-linearly coupled flow and microbial reactive transport at conditions relevant to carbon mineralization for CO2 storage. All results can be reproduced by openly available simulation scripts. ; This project has received funding from the European Union’s Horizon 2021 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 101063414 – CO2FOREARM. ; Peer Reviewed ; Postprint (published version) |
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| DOI: | 10.5281/zenodo.11035051 |