Direct Numerical Simulation of Chemically Reacting Flows with the Public Domain Code OpenFOAM
Direct Numerical Simulation of Chemically Reacting Flows with the Public Domain Code OpenFOAM
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DOI：
10.1007/978-3-319-10810-0_16
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发表时间：
2015
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影响因子：
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通讯作者：
Feichi Zhang;H. Bonart;T. Zirwes;P. Habisreuther;H. Bockhorn;N. Zarzalis
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文献类型：
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作者：
Feichi Zhang;H. Bonart;T. Zirwes;P. Habisreuther;H. Bockhorn;N. Zarzalis
介绍了一种新的用于化学反应流动直接数值模拟（DNS）的求解器，它是在开源程序OpenFOAM的框架内开发的。该程序能够采用非结构网格对可压缩反应流方程进行数值求解。因此，通过耦合自由化学动力学程序Cantera，详细描述了化学反应（如反应速率）和输运（如扩散系数）。求解器包含了时间导数的二阶全隐式格式和对流项离散化的四阶插值格式。求解器采用了算子分离方法，允许时间尺度不同的流体和化学溶液，从而显著提高了性能。此外，该求解器还具有良好的并行可扩展性。首先通过一维预混火焰的方法验证了代码的实现，其中计算的火焰轮廓与商业Chemkin代码的结果进行了比较。为了证明该程序对三维问题的适用性，应用该程序对实验室规模的爆炸容器中的火焰传播进行了模拟。在这种情况下，使用了一个具有1.44亿个有限体积的计算网格。仿真在HLRS的HERMIT集群的8192个处理器上并行进行。计算的燃烧速度与实验数据吻合较好。
A new solver for direct numerical simulation (DNS) of chemically reacting flow is introduced, which is developed within the framework of the open-source program OpenFOAM. The code is capable of solving numerically the compressible reactive flow equations employing unstructured grids. Therewith a detailed description of the chemistry, e.g. the reaction rates, and transport, e.g. the diffusion coefficients, has been accomplished by coupling the free chemical kinetics program Cantera. The solver implies a fully implicit scheme of second order for the time derivative and a fourth order interpolation scheme for the discretization of the convective term. An operator-split approach is used by the solver which allows solutions of the flow and chemistry with time scales that differ by orders of magnitude, leading to a significantly improved performance. In addition, the solver has proved to exhibit a good parallel scalability. The implementation of the code has first been validated by means of one-dimensional premixed flames, where the calculated flame profiles are compared with results from the commercially Chemkin code. To demonstrate the applicability of the code for three-dimensional problems, it has been applied to simulate the flame propagation in an explosion vessel of laboratory-scale. A computational grid with 144 million finite volumes has been used for this case. The simulation has been performed parallel on 8192 processors from the HERMIT cluster of HLRS. The calculated burning velocity agrees well with the experimental data.