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基于ROP的含氧燃料PAHs形成分析
引用本文:王忠,李铭迪,李立琳,陈林,许广举.基于ROP的含氧燃料PAHs形成分析[J].江苏大学学报(自然科学版),2012,33(2):155-159.
作者姓名:王忠  李铭迪  李立琳  陈林  许广举
作者单位:1. 江苏大学汽车与交通工程学院,江苏镶江,212013
2. 江苏大学汽车与交通工程学院,江苏镶江212013;河南工程学院机械工程系,河南郑州450000
基金项目:国家自然科学基金资助项目(50776042);江苏省高校自然科学基金重点资助项目(10KJA470009);江苏省2010年研究生创新计划项目(CX10B_261Z);江苏高校优势学科建设工程资助项目(PAPD)
摘    要:利用反射激波管模型,采用生成速率法(ROP)对含氧燃料燃烧过程中PAHs中的主要物质苯、萘、菲、芘进行了模拟分析,探讨了含氧燃料PAHs形成的途径.结果表明:在当量比1.0、初始温度1 600 K的初始条件下,乙醇、二甲醚和碳酸二甲酯燃烧过程中,苯、萘、菲、芘的生成速率在数量级上依次递减;苯主要通过炔丙基的聚合反应形成;萘生成的主要反应是苯基的二次脱氢加乙炔及苯基与乙烯基乙炔的化合反应;菲和芘的形成主要是通过脱氢加乙炔反应;H和OH自由基对PAHs的氧化起着重要的作用;对于第3体"M"参与的反应,燃用乙醇抑制PAHs的形成,燃用DME对PAHs的形成影响不大,燃用DMC促进PAHs的形成.

关 键 词:含氧燃料  多环芳香烃  生成速率  形成路径  数值模拟

Analysis of PAHs formation with oxygenated fuels based on ROP
Wang Zhong , Li Mingdi , Li Lilin , Chen Lin , Xu Guangju.Analysis of PAHs formation with oxygenated fuels based on ROP[J].Journal of Jiangsu University:Natural Science Edition,2012,33(2):155-159.
Authors:Wang Zhong  Li Mingdi  Li Lilin  Chen Lin  Xu Guangju
Institution:1(1.School of Automobile and Traffic Engineering,Jiangsu University,Zhenjiang,Jiangsu 212013,China;2.Department of Mechanical Engineering,Henan Institute of Engineering,Zhengzhou,Henan 450000,China)
Abstract:According to shock tube model,the formation of benzene,naphthalene,phenanthrene and pyrene was analyzed by simulating their production rate through ROP to investigate the PAHs formation paths of oxygenated fuels.The results show that the magnitude of production rate of ethanol,DME and DMC is orderly decreased with initial equivalent ratio of 1.0 and temperature of 1 600 K.The polymerization of propargyl is the main path for benzene formation.Naphthalene is formed mainly through second HACA reaction and combination reaction of phenyl and vinyl acetylene.Phenanthrene and pyrene are mainly formed through HACA reaction.H and OH radicals play an important role in the oxidation of PAHs.In the reaction of third body ″M″,ethanol can inhibit PAHs formation.DME has slight effect on PAHs formation,while DMC can promote PAHs formation.
Keywords:oxygenated fuel  PAHs  rate of production  formation path  numerical simulation
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