甲醇/柴油PAHs形成途径的动力学模型与仿真  

Kinetic model and simulation of PAHs formation pathway of methanol / diesel

作　　者：王忠[1] 赵洋[1] 李铭迪[1] 王小哲[1] 

机构地区：[1]江苏大学汽车与交通工程学院,江苏镇江212013

出　　处：《江苏大学学报（自然科学版）》2014年第1期1-6,共6页Journal of Jiangsu University：Natural Science Edition

基　　金：国家自然科学基金资助项目(51376083);江苏省高校自然科学基金重点资助项目(10KJA470009);江苏省2012年研究生科研创新计划项目(CXZZ12_0676);江苏高校优势学科建设工程项目(苏政办发[2011]6号)

摘　　要：对甲醇/柴油化学反应和多环芳香烃(PAHs)的生成机理进行了分析,构建了由228种组分和1 584个基元反应组成的甲醇/柴油PAHs计算模型.采用CHEMKIN软件中的reflect shock和均质零维反应模型,研究了甲醇/柴油混合燃料的PAHs生成过程及变化规律.结果表明:该模型能准确预测甲醇/柴油燃烧过程中的反应温度,甲醇摩尔分数,反应中间产物CO,CO2,O2的摩尔分数随时间的变化规律和着火延迟;甲醇/柴油燃烧过程中,单个苯环主要通过丙炔基聚合和环化反应以及苯基的加氢反应形成;多个苯环主要通过脱氢加乙炔反应形成;PAHs的生成量随着甲醇掺混比例的增加而下降;随着混合气当量比减小,PAHs的前驱体C2H2,C3H3生成量减少.Based on the mechanisms of methanol/diesel oxidation and PAHs formation, the kinetic mo del of methanol/diesel with 228 species and 1 584 reactions was established. The PAHs formation process of methanol/diesel was investigated by reflectedshock tube and homogeneous zerodimensional reactor in CHEMKIN software. The results show that the reaction temperature, the mole fraction profiles of metha nol, the reaction products of CO, CO2, 02, and the ignition delay can be reasonably predicted by the model. Singlepropynyl phenyl is mainly formed through polymerization, cyclization reaction and hydro genation reaction. Habstraction acetylene addition mechanism and serfcombination reaction of aromatics are the main routes for polycyclic aromatic formation. The PAHs content decreases with the increase of methanol mixing proportion. The yield of PAHs precursors of C2H2 and C3H3 decreases with the decrease of mixture equivalence ratio.

关 键 词：甲醇 柴油 多环芳香烃 化学反应动力学 途径 

分 类 号：TK421.2[动力工程及工程热物理—动力机械及工程]