碳氢燃料燃烧机理的自动简化  

Automatic Chemistry Mechanism Reduction on Hydrocarbon Fuel Combustion

作　　者：李树豪[1] 刘建文[2] 李瑞[1] 王繁[3] 谈宁馨[4] 李象远[4] 

机构地区：[1]四川大学空天科学与工程学院,成都610065 [2]北京动力机械研究所,北京100074 [3]四川大学原子与分子物理研究所,成都610065 [4]四川大学化学工程学院,成都610065

出　　处：《高等学校化学学报》2015年第8期1576-1587,共12页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金(批准号:91441132)资助~~

摘　　要：采用自行开发的碳氢燃料燃烧详细机理自动简化程序ReaxRed分别对包含257个物种和874步反应的RP-3航空煤油替代模型以及包含1389个物种和5935步反应的汽油混合替代模型进行机理自动简化.对RP-3替代模型,分别得到78个物种框架机理和61个物种全局简化机理,在较宽的参数范围内重现RP-3详细机理在点火延迟时间、熄火以及物种浓度分布等方面的模拟结果;通过强制敏感度及物种产率分析进一步说明了简化机理的合理性.对汽油混合替代模型,得到包含266个物种框架机理在较宽范围内重现单组分、两组分及多组分混合的点火延迟时间的模拟结果,并通过元素流动分析阐明了4种单组分燃料的燃烧路径.框架机理保留了详细机理的层级结构以及全局信息,更易于系统分析汽油的燃烧过程.An automatic mechanism reduction program,ReaxRed for combustion of hydrocarbon fuels was introduced. Six mechanism reductions methods are implemented in this program and generation of reduced mechanisms well was verification of them can be carried out automatically with high efficiency. ReaxRed thus serves as a good computing tool for reduction of detailed mechanisms for combustion of hydrocarbon fuels.ReaxRed was applied to reduction of detailed mechanisms for a RP-3 aviation kerosene surrogate model with257 species and 874 reactions,and for a gasoline mixed surrogate which consists of 1389 species and 5935 reactions,respectively. A skeletal mechanism containing 78 species and a global reduced mechanism with 61 species were achieved from the RP-3 surrogate model. Both the skeletal mechanism and the global reduced mechanism reproduces combustion characteristics of the detailed mechanism such as the ignition delay,extinction,and distribution of species concentration over a wide range of simulation conditions. Reliability of reduced mechanism is further verified through brute-force sensitivity analysis and rate-of-production analysis. A skeletal mechanism with 266 species from gasoline mixed surrogate model can recover simulated results on ignition delay time of one-component,two-component as well as multicomponent mixtures in a wider range of conditions. Furthermore, combustion paths based on time-integrated element flux analysis for the four sing-component fuels in the surrogate model can also be reproduced by the skeletal mechanism. The result shows that the achieved skeletal mechanism retains detailed mechanism ＇s hierarchical structure and globe information. Combustion process of gasoline can be analyzed systematically and more easily based on the obtained skeletal mechanism.

关 键 词：碳氢燃料燃烧 自动简化方法 框架机理 

分 类 号：O643[理学—物理化学]