BioReactPy:模拟多孔介质中微生物介导的反应过程的开源软件

IF 2.6 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Applied Computing and Geosciences Pub Date : 2024-04-21 DOI:10.1016/j.acags.2024.100166
M. Starnoni, M.A. Dawi, X. Sanchez-Vila
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引用次数: 0

摘要

本文提供了一种新的开源软件,名为 BioReactPy,用于模拟多孔介质中微生物介导的流动和反应传输耦合过程。该软件基于微连续方法,在一个单一的集成框架中,以完全耦合的方式处理地球化学和用莫诺方程处理的生物质-营养生长,而不依赖第三方软件包。讨论了该软件的显著特点、设计原则、多物理场问题的表述和离散化。此外,还介绍了使用几个已建立的流动、反应传输和生物质生长基准对 Python 实现的验证。然后,通过模拟在二氧化碳封存的碳矿化相关条件下高度非线性耦合的流动和微生物反应传输,说明了该框架的灵活性。所有结果均可通过公开的模拟脚本重现。
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BioReactPy: An open-source software for simulation of microbial-mediated reactive processes in porous media

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.

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来源期刊
Applied Computing and Geosciences
Applied Computing and Geosciences Computer Science-General Computer Science
CiteScore
5.50
自引率
0.00%
发文量
23
审稿时长
5 weeks
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