中文摘要：

以KIVA3V和CHEMKINⅡ为研究平台，建立耦合详细化学反应动力学的多维CFD模型．为了解决耦合多维模型求解时间长的问题，对耦合程序进行了二次开发，使其能在基于MPI的超级计算机和高速网络连接的PC集群等多种并行计算平台上运行．在二次开发中，提出了一种具有间歇特征的并行计算方案．在超级计算机——深腾6800上，使用耦合程序模拟了天然气SI发动机的燃烧过程．计算表明，模拟结果与试验数据有着较好的一致性；模拟计算具有较高的并行效率．

英文摘要：

Based on CFD software——KIVA3V and reaction kinetics software CHEMKIN Ⅱ, multi-dimensional CFD model coupled with detail reaction kinetics is built. To reduce computation time, subsequent development of the coupled software was done, which enables the software to do parallel computing and run on all kinds of parallel computing machines based on MPI. During the subsequent development, an intermittent parallel scheme is applied. In the super computing facility-shenteng 6800, the coupled software is applied to simulate the combustion process of SI CNG engine. The results show that the simulation data has a good consistency with the experiment results and that parallel computing has a high efficiency and acceleration ratio.