An innovative kinetic mechanism reduction method, Species’ Participation in Element Fluxes (SPEF), is developed in this study. It utilises species’ participation in element fluxes to evaluate the importance of the species during the combustion process. The SPEF method has two main benefits: (1) it targets at C, H and O elements instead of pre-selected target species and has only one variable threshold on species importance, which makes it feasible to obtain satisfactory skeletal mechanisms for researchers even without any mechanism reduction expertise; (2) it shows significantly low time complexity, which helps to achieve high computational efficiency in the reduction process. Three mechanisms with different sizes were reduced and utilised to investigate the reduction capability of the SPEF method. It has been observed that the reduction performance of the SPEF method is competitive with other widely used directed relation graph with error propagation (DRGEP), path flux analysis (PFA) and global pathway selection (GPS) methods. The effectiveness of the SPEF method was further demonstrated by extensively validating the SPEF-reduced mechanisms against the detailed mechanisms. In addition to the application to static reduction, this method could also be easily utilised for dynamic reduction to save computational efforts in reactive flow simulation while retaining satisfactory accuracy. An example was given by integrating the SPEF method into the KIVA4 code package to dynamically reduce chemical mechanisms in 3-D engine simulations. It has been proved that even for 3-D engine simulations with a highly compact mechanism, computational cost can still be saved in a considerable scale using the SPEF method.

本研究开发了一种创新的动力学机制还原方法，即元素通量中的物种参与 (SPEF)。它利用物种参与元素通量来评估物种在燃烧过程中的重要性。SPEF 方法有两个主要好处：（1）它针对 C、H 和 O 元素而不是预先选择的目标物种，并且物种重要性只有一个可变阈值，这使得即使没有研究人员也可以获得令人满意的骨架机制。任何机制减少专业知识；(2)它表现出显着低的时间复杂度，有助于在约简过程中实现高计算效率。减少了三种不同大小的机制，并利用它来研究 SPEF 方法的减少能力。已经观察到，SPEF 方法的归约性能与其他广泛使用的带有误差传播的有向关系图 (DRGEP)、路径通量分析 (PFA) 和全球路径选择 (GPS) 方法相比具有竞争力。通过针对详细机制广泛验证减少 SPEF 的机制，进一步证明了 SPEF 方法的有效性。除了应用于静态归约之外，该方法还可以很容易地用于动态归约，以节省反应流模拟中的计算工作量，同时保持令人满意的准确性。通过将 SPEF 方法集成到 KIVA4 代码包中以动态减少 3-D 发动机模拟中的化学机制，给出了一个示例。已经证明，即使对于具有高度紧凑机构的 3-D 发动机模拟，