Numerical methods for the accurate and efficient simulation of multiphase multicomponent reactive flow in the capillary fringe

精确有效模拟毛细管边缘多相多组分反应流的数值方法

• 批准号: 43741459
• 负责人: Professor Dr. Peter Bastian
• 金额: --
• 依托单位: Interdisziplinäres Zentrum für Wissenschaftliches Rechnen (IWR)
• 依托单位国家: 德国
• 项目类别: Research Units
• 财政年份: 2007
• 资助国家: 德国
• 起止时间: 2006-12-31 至 2014-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/43741459?language=en
• 关键词: Numerical; methods; accurate; efficient; simulation

The capillary fringe is a zone where liquid and gas phase are strongly interacting, providing a favorable environment for many chemical reactions and microorganisms. The quantitative prediction of processes in the capillary fringe with computer models is a big challenge as it requires not only the description of multi-component two-phase reactive flow but also the macroscopic simulation of phase entrapment, gas bubble dissolution and the flow of a disconnected gas phase, which is a mostly unsolved problem. After a thorough testing of stability, speed and precision of the operator splitting approach developed in the first funding period compared to a global implicit approach, the project SP2 focuses on the simulation of the experiments conducted in the other projects in close cooperation with the experimenters. Pore scale and continuum scale models will be used. The comparison of simulations and experimental data on flow and transport processes, chemical reactions and microbial activity will be used to detect deficiencies of the model and obtain helpful suggestions for its improvement. The model will be incorporated in a parameter estimation framework to estimate transport parameters and reaction rates from the experiments.

毛细管边缘是液相和气相强烈相互作用的区域，为许多化学反应和微生物提供了有利的环境。用计算机模型定量预测毛细管边缘的过程是一个很大的挑战，因为它不仅需要描述多组分两相反应流，而且还需要宏观模拟相捕集，气泡溶解和不连续气相的流动，这是一个尚未解决的问题。在对第一个供资期开发的算子分裂方法的稳定性、速度和精度进行了全面测试之后，与整体隐式方法相比，项目SP2侧重于与实验者密切合作，模拟其他项目中进行的实验。将使用孔隙尺度和连续体尺度模型。通过对流动和输运过程、化学反应和微生物活动的模拟和实验数据的比较，可以发现模型的不足之处，并为改进模型提供有益的建议。该模型将被纳入一个参数估计框架，以估计传输参数和反应速率的实验。