muFlowReacT:一个图书馆来解决在非结构化的网格上的多相多元件反应式运输
O Atteia1, H Prommer2,3, D Vlassopoulos4
1UMR EPOC, Bordeaux-INP, 1 Allee Daguin, 33607, Pessac Cedex, France.
Ground water
|July 31, 2023
概括
一个新的反应式运输代码通过将OpenFoam和PhreeqcRM结合起来,有效地模拟地下水质量问题. 这种先进的工具最大限度地减少了数值分散,为复杂的水文地质挑战提供了多功能解决方案.
科学领域:
- 环境科学 环境科学
- 水文地质学 水文地质学
- 计算科学 计算科学
背景情况:
- 地下水质量模拟面临数值分散的挑战.
- 像MODFLOW/MT3DMS这样的现有模型在非结构化网格上的多功能性和计算效率都有局限性.
- 专用工具的合是一种可行的策略,可以增强模拟能力.
研究的目的:
- 为高效的地下水质量模拟开发一种新型的反应式运输代码.
- 将已建立的代码 (MODFLOW/MT3DMS) 的功能转移和扩展到用于非结构化电网的灵活,高效的平台.
- 集成先进的功能,如多相传输和不和区过程.
主要方法:
- 合OpenFoam (计算流体动力学) 和PhreeqcRM (反应式运输模型).
- 利用OpenFoam广泛的传输解决方案来提高数值稳定性和效率.
- 在非结构化网格上实现,以获得更大的几何灵活性.
- 通过各种模拟示例进行验证.
主要成果:
- 新的代码有效地抑制了数值分散,这与以前的方法相比是一个关键优势.
- 在模拟各种场景方面表现出能力:和溶液运输,不和气体扩散与反应,复杂的3D反应运输和二氧化碳注射影响.
- 成功整合了气态化合物和多相运输的扩散过程.
结论:
- 开发的代码为地下水质量和反应式运输问题提供了高效和多功能解决方案.
- OpenFoam和PhreeqcRM的结合为未来的代码扩展和应用提供了一个强大的框架.
- 代码的灵活性和准确性通过多个复杂的案例研究得到验证,包括地质化学反应和二氧化碳封存.
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