由于燃烧反应的高度复杂性和基元步骤受温度影响的差异性，构建高可靠性的燃烧机理是燃烧反应动力学面临的重要挑战。本项目研究内容包括：考察低温燃烧过氧化反应网络，基于势能面计算，探明多通道反应的热力学和动力学控制的竞争机制，确定低温燃烧反应类型，建立燃烧机理生成规则；结合大分子燃烧反应热、动力学参数计算和数据挖掘，构建燃烧详细机理；发展建立激波管低温点火延迟测量方法，研究低温点火负温度系数效应，理论和试验相结合考察低温燃烧微观机制。研究目标是通过燃烧反应的微观和宏观研究，探索低温燃烧客观规律，发展低温燃烧机理的构建方法和程序，结合替代组分方法，构建航空燃料高可靠性燃烧机理，为发动机湍流燃烧研究奠定基础。

Owing to the complexity in combustion reactions and the influence diversity of elementary steps by temperatures, constructing a reliable combustion mechanism is a big challenge. This proposal focuses on the following. At first, the reaction network of peroxidation in low temperature combustion will be investigated. On the basis of potential energy surface calculation, the competition between the thermodynamic control and the kinetic one on the multi-channels will be paid attention to. After the selection and optimization of the reaction classes in low-temperature combustion, the reaction rules for combustion mechanism generation will be worked out. Secondly, in order to validate the combustion mechanism, the technique for measuring ignition delay time by shock tube at low temperature will be developed, and the negative temperature coefficient behavior in ignition delay times of jet fuels will be investigated. The microscopic details of the low-temperature combustion will be figured out combining both theory and experiment. The present proposal aims at the exploration of the reaction rules in combustion at low and high temperatures, based on the study of the combustion reactions from macro and micro aspects. Moreover, after developing the methods and programs for reaction mechanism generation by surrogate model technique, we will provide foundation for engine turbulent combustion research.