porousRTFoam v1.0: An open-source numerical platform for simulating pore-scale reactive transport processes in porous media

IF 4.6 2区 环境科学与生态学 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Environmental Modelling & Software Pub Date : 2025-04-01 Epub Date: 2025-02-23 DOI:10.1016/j.envsoft.2025.106396
Xueying Li , Xiaofan Yang
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Abstract

porousRTFoam v1.0 is a software developed to solve pore-scale hydro-bio-geochemical processes in porous media. It is developed based on OpenFOAM® by using the micro-continuum approach, which is adopted to solve a system of equations, including the Darcy-Brinkman-Stokes equation, the advection-diffusion equation with geochemical source terms, as well as biomass evolution with Monod kinetics for biofilm growth. Calcite dissolution and biofilm formation are used as benchmark cases to demonstrate the capabilities of porousRTFoam, with results compared against existing numerical packages and experimental data. The software is further demonstrated to be adaptable for building specific models, such as, mineral dissolution and precipitation in porous media and microbially induced calcite carbonate precipitation (MICP) in fractured media. The new software has the potential to promote fundamental understanding of various pore-scale reactive transport mechanisms, including but not limited to cell aggregation as well as cotransport of contaminants and bacteria in subsurface environments.

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porousRTFoam v1.0:用于模拟多孔介质中孔隙尺度反应输运过程的开源数值平台
porousRTFoam v1.0是为解决多孔介质中孔隙尺度的水-生物地球化学过程而开发的软件。它是基于OpenFOAM®通过使用微连续体方法开发的,该方法被用来解决方程组,包括Darcy-Brinkman-Stokes方程,平流-扩散方程与地球化学源项,以及生物膜生长的生物量演化与Monod动力学。方解石溶解和生物膜形成作为基准案例来展示多孔泡沫的能力,并将结果与现有的数值包和实验数据进行了比较。该软件还被证明适用于建立特定的模型,例如多孔介质中的矿物溶解和沉淀,以及裂缝介质中微生物诱导的方解石碳酸盐沉淀(MICP)。新软件有可能促进对各种孔尺度反应性运输机制的基本理解,包括但不限于细胞聚集以及污染物和细菌在地下环境中的共同运输。
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来源期刊
Environmental Modelling & Software
Environmental Modelling & Software 工程技术-工程:环境
CiteScore
9.30
自引率
8.20%
发文量
241
审稿时长
60 days
期刊介绍: Environmental Modelling & Software publishes contributions, in the form of research articles, reviews and short communications, on recent advances in environmental modelling and/or software. The aim is to improve our capacity to represent, understand, predict or manage the behaviour of environmental systems at all practical scales, and to communicate those improvements to a wide scientific and professional audience.
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