论文部分内容阅读
发动机设计中,燃烧室的热管理问题日益突出.其根源必然涉及到碳氢燃料的化学机理模型.讨论了大分子烃类燃料热裂解反应的反应类型,分析了各反应类型的详细动力学以及对热裂解反应的灵敏度、重要性.根据热裂解反应类型有限和基于物质的一维表示,开发了大分子烃类反应机理的自动生成程序ReaxGen.建立了相应的热、动力学数据库,探讨了如何建立碳氢燃料的详细热裂解化学动力学模型.最后我们建立了正庚烷热裂解反应的详细机理,并用该机理模型模拟预测了产物分布和转化率,理论上计算了热沉值.所得结果与文献结果进行对比讨论.
In the engine design, the thermal management of the combustion chamber is becoming more and more prominent, and its root causes inevitably involve the chemical mechanism model of hydrocarbon fuels. The reaction types of the pyrolysis reaction of the macromolecular hydrocarbon fuel are discussed, the detailed kinetics of each reaction type is analyzed, Sensitivity and importance to pyrolysis reaction.According to the limited type of pyrolysis reaction and the one-dimensional representation based on material, ReaxGen, an automatic generation program for the reaction mechanism of macrocarbons, was developed.Another thermodynamic and kinetic database was established, How to establish a detailed model of thermal cracking kinetic model of hydrocarbon fuel.Finally, we set up a detailed mechanism of n-heptane pyrolysis reaction, and using this mechanism model to predict the product distribution and conversion rate, theoretical calculation of the heat sink value. The results are compared with the literature results.