正庚烷部分预混燃烧下多环芳烃生成的简化机理  

A Reduced Mechanism of PAHs Formation in n-Heptane/Air Partially Premixed Combustion

作　　者：曾文[1] 马洪安[1] 解茂昭[2] 

机构地区：[1]沈阳航空航天大学动力与能源工程学院,沈阳110136 [2]大连理工大学能源与动力工程学院,大连116024

出　　处：《燃烧科学与技术》2011年第4期313-320,共8页Journal of Combustion Science and Technology

基　　金：国家自然科学基金资助项目(50906059);国家重点基础研究发展计划(973计划)资助项目(2007CB210002);中国博士后科学基金资助项目(20080430733)

摘　　要：采用反应流与敏感性分析方法对小分子烃类燃料预混燃烧下多环芳烃生成的详细机理(101种组分,544个基元反应)进行了简化,得到了包括52种组分,83个基元反应的简化机理.采用该简化机理对乙烷预混燃烧下多环芳烃的生成规律进行了数值计算.结果表明,采用该简化机理计算得到的反应物与部分生成物摩尔分数的变化趋势与实验值基本吻合;在该简化机理上加入正庚烷分解和氧化的主要反应(27种组分,36个基元反应),构成了庚烷火焰中多环芳烃生成的简化机理(62种组分,119个基元反应);同时对该简化机理在正庚烷部分预混燃烧下多环芳烃的生成规律进行了数值计算,结果表明,采用该简化机理进行计算时所得到的温度分布、主要反应物与部分生成物的摩尔分数的变化趋势与实验值基本吻合.The detailed reaction mechanism （including 101 species and 544 reactions）of little C hydrocarbon in premixed combustion was reduced by adopting net reaction rate analysis and sensitivity analysis, and a reduced mechanism （including 52 species and 83 reactions） was then gained. The polycyclic aromatic hydrocarbon （PAHs） formation in ethane premixed combustion was simulated using this reduced mechanism. The results show that the computational results for the species mole fraction distributions of main reactants and main products obtain by the reduced mechanism agree with the experimental data. By incorporating the reaction mechanism of n-heptane destruction and oxidation （including 27 species and 36 reactions） into this reduced mechanism, a reduced mechanism of PAHs formation in n-heptane flame （including 62 species and 119 reactions）was gained. Furthermore, the PAHs formation in n-heptane partially premixed combustion was simulated using this reduced mechanism. The results show that the computational results for temperature profile, and the species mole fraction distributions of main reactants and main products obtained by the reduced mechanism agree with the experimental data.

关 键 词：多环芳烃 正庚烷 预混燃烧 数值模拟 简化机理 

分 类 号：TK401[动力工程及工程热物理—动力机械及工程]