三甲苯的低温燃烧化学研究
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- 英文论文题名：Investigation of the Low-temperature Combustion Chemistry of Trimethylbenzenes
- 论文作者：田振玉 ; 翁俊桀 ; 王丙寅 ; 潘冠福
- 英文论文作者：Zhen-Yu Tian ; Jun-Jie Weng ; Bing-Yin Wang ; Guan-Fu Pan ; Institute of Engineering Thermophysics ; Chinese Academy of Sciences ; University of Chinese Academy of Sciences
- 年：2016
- 作者机构：中国科学院工程热物理研究所;中国科学院大学;
- 论文关键词：低温氧化 ; 射流搅拌反应器 ; 三甲苯 ; 动力学模拟
- 英文论文关键词：Low-temperature oxidation ; Jet-stirred reactor ; Trimethylbenzene ; Kinetic modeling
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第四十六分会：燃烧化学
- 语种：中文
- 分类号：O625.11;O643.21
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第四十六分会 ; 燃烧化学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：140k
- 原文格式：D
- 会议级别：全国
摘要
航空燃料的低温燃烧直接影响其点火特性。由于实际航空燃料组分复杂,迫切需要对其重要组分均三甲苯和偏三甲苯的低温氧化动力学进行研究。本文利用射流搅拌反应器结合色谱和质谱研究了两种三甲苯在700-1100 K下的低温氧化。实验测量了约30种物种的摩尔分数曲线。在实验和理论计算结果的基础上,提出了一个544物种3248反应的详细动力学模型。反应路径分析表明偏三甲苯主要通过脱氢反应生成三个二甲基苄基自由基,而均三甲苯的主要消耗路径为脱甲基上的氢以及与氢发生取代反应生成间二甲苯。由敏感性分析可知,偏三甲苯的脱氢反应具有禁阻效应,而均三甲苯与OH的脱氢反应起促进作用。这些结果为发展含有三甲苯的航空替代燃料提供了理论基础。
The low-temperature combustion of jet fuels direct affects their ignition characteristics. Because jet fuels are complex mixtures of hundreds of aliphatic and aromatic hydrocarbons, it is necessary to investigate the low-temperature oxidation kinetics of trimethylbenzenes as representative components. In this work, a jet-stirred reactor combined with GC/MS was used to reveal the oxidation of two trimethylbenzenes at 700-1100 K. Mole fraction profiles of about 30 species were obtained. Based on the measurements and theoretical calculations, a detailed kinetic model involving 544 species and 3248 reactions was developed. The rate-of-production analysis indicates that 1,2,4-trimethylbenzene mainly converts to three dimethyl benzyl radicals, while H-abstraction from the side-methyl side and ipso-addition to generate m-xylene are the major pathways for 1,3,5-trimethylbenzene consumption. From sensitivity analysis, the H-abstraction has inhibiting effect for 1,2,4-trimethylbenzene, whereas these reactions exhibit promoting effect in the oxidation of 1,3,5-trimethylbenzene. These results provide fundamental basis to explore jet fuels containing trimethylbenzenes.
The low-temperature combustion of jet fuels direct affects their ignition characteristics. Because jet fuels are complex mixtures of hundreds of aliphatic and aromatic hydrocarbons, it is necessary to investigate the low-temperature oxidation kinetics of trimethylbenzenes as representative components. In this work, a jet-stirred reactor combined with GC/MS was used to reveal the oxidation of two trimethylbenzenes at 700-1100 K. Mole fraction profiles of about 30 species were obtained. Based on the measurements and theoretical calculations, a detailed kinetic model involving 544 species and 3248 reactions was developed. The rate-of-production analysis indicates that 1,2,4-trimethylbenzene mainly converts to three dimethyl benzyl radicals, while H-abstraction from the side-methyl side and ipso-addition to generate m-xylene are the major pathways for 1,3,5-trimethylbenzene consumption. From sensitivity analysis, the H-abstraction has inhibiting effect for 1,2,4-trimethylbenzene, whereas these reactions exhibit promoting effect in the oxidation of 1,3,5-trimethylbenzene. These results provide fundamental basis to explore jet fuels containing trimethylbenzenes.
引文
[1]Honnet,S.;Seshadri,K.;Niemann,U.;Peters,N.Proc.Combust.Inst.2009,32:485-492.
[2]Won,S.H.;Sun,W.T.;Ju,Y.G.Combust.Flame 2010,157:411-420.
[2]Won,S.H.;Sun,W.T.;Ju,Y.G.Combust.Flame 2010,157:411-420.