Numerical simulation techniques for the efficient and accurate treatment of local fluidic transport processes together with chemical reactions

用于高效、准确地处理局部流体传输过程和化学反应的数值模拟技术

• 批准号: 256652799
• 负责人: Professor Dr. Stefan Turek
• 金额: --
• 依托单位: Lehrstuhl III: Angewandte Mathematik und Numerik
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2014
• 资助国家: 德国
• 起止时间: 2013-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/256652799?language=en
• 关键词: Numerical; simulation; techniques; efficient; accurate

This project is concerned with the development and software realization of numerical simulation techniques which allow a detailed analysis of the local hydrodynamics of (multiphase) flow problems and their interplay with chemical reactions. Since the scientific challenges regarding the modeling and detailed analysis of the fluidic transport processes in chemically reactive (bubble) flows are mainly related to the interaction of processes with very different scales in space and time, special approaches and techniques from chemistry (reaction mechanisms and kinetics of the chemical reaction networks), chemical engineering (experimental design regarding flow and mass transfer measurements and operational conditions of the reactors regarding selectivity and yield) and mathematics (numerical simulations) and their interactions are required. The validation of the new simulation tools using benchmark computations and experimental data w.r.t.realistic parameters and flow conditions, which are being provided by the cooperation partners from chemistry and chemical engineering in this SPP, is one of the central points of the project.While in the first period of the project we were mainly focused on the fluidic behavior of the so-called `Superfocus Mischer' (Leading Experiment I) as an example for a geometrically complex configuration dealing with miscible fluids and species undergoing chemical reactions, the developed single-phase methods are currently being extended towards gas-liquid flows (including also aspects of electromobility). We have established a robust and highly accurate numerical framework governing the hydrodynamics, which is an inevitable component determining the overall performance and accuracy of the corresponding computational approach and its practical realization. Combination of the so far achieved developments into a common framework and its application for the Leading Experiment II `Taylor Flow Capillary' are the main highlights for the second period of the project.

该项目与数值模拟技术的开发和软件实现有关，这些技术允许对（多相）流问题的局部流体动力学及其与化学反应的相互作用进行详细分析。由于关于化学反应性（气泡）流中流体传输过程的建模和详细分析的科学挑战主要与时空中具有非常不同尺度的过程的相互作用有关，因此化学的特殊方法和技术（反应机制和动力学）化学反应网络），化学工程（有关反应堆的流量和传质测量和质量转移测量以及有关选择性和产量的操作条件的实验设计）以及数学（数值模拟）及其相互作用。使用基准计算和实验数据W.R.T.真实性参数和流程条件的新模拟工具的验证，这些参数和流程条件是由该SPP中化学和化学工程的合作伙伴提供的，这是项目的中心之一。该项目的第一阶段我们主要集中在所谓的“超焦点Mischer”（领先的实验I）的流体行为上，这是用于处理有性液体和经历化学反应物种的几何复杂构型的一个例子目前，方法正在扩展到气液流量（包括电动性方面）。我们已经建立了一个管理流体动力学的坚固且高度准确的数值框架，这是确定相应计算方法及其实际实现的整体性能和准确性的必然组成部分。到目前为止，已实现的发展融合到一个共同的框架中，其在领先的实验II“泰勒流毛细管”中的应用是项目第二阶段的主要亮点。