Experimental and kinetic modeling study of styrene combustion
Experimental and kinetic modeling study of styrene combustion
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苯乙烯燃烧的实验和动力学模型研究
DOI：
10.1016/j.combustflame.2014.12.008
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发表时间：
2015-05
影响因子：
4.4
通讯作者：
Qi Fei
中科院分区：
文献类型：
--
作者：
Yuan Wenhao;Li Yuyang;Dagaut Philippe;Yang Jiuzhong;Qi Fei
本工作的目的是报告新的实验数据，苯乙烯燃烧和发展的动力学模型。在低压（0.0395 atm）下，用同步辐射真空紫外光电离质谱研究了当量比分别为0.75、1.00和1.70的苯乙烯层流预混火焰。采用气相色谱法研究了常压下苯/苯乙烯混合物（当量比为0.50、1.00和1.50）的JSR氧化反应。测量了火焰物种和氧化物种的摩尔分数分布。苯乙烯燃烧的290个物种和1786个反应的动力学模型，开发了我们最近报道的甲苯模型，并验证了新的实验数据，从这项工作和以前的点火延迟时间数据。发现O原子攻击反应、H原子夺取反应和其他H原子攻击反应是苯乙烯消耗的主导反应。特别是，O原子的攻击反应的双键上的苯乙烯在JSR氧化和贫和化学计量火焰中起着重要的作用，而热解反应的贡献随着当量比的增加而增加。苯基自由基在苯乙烯的分解中起着至关重要的作用，因为它提供了苯乙烯的大部分反应通量。在芳烃生长过程中，苯乙炔、1-苯基乙烯基自由基、苯基自由基和苯乙烯作为多环芳烃（PAH）的主要前体，导致苯乙烯与甲苯和乙苯相比具有高的烟炱倾向。
The aim of this work is to report new experimental data on styrene combustion and develop a kinetic model for styrene combustion. Three laminar premixed flames of styrene with equivalence ratios of 0.75, 1.00 and 1.70 were studied at low pressure (0.0395 atm) using synchrotron vacuum ultraviolet photoionization mass spectrometry. The JSR oxidation of styrene/benzene mixtures with three equivalence ratios of 0.50, 1.00, and 1.50 was studied at atmospheric pressure using gas chromatography. The mole fraction profiles of flame species and oxidation species were measured. A kinetic model of styrene combustion with 290 species and 1786 reactions was developed from our recently reported toluene model, and was validated on the new experimental data from this work and previous ignition delay time data. The O-atom attack reactions, H-atom abstraction reactions and other H-atom attack reactions were found to dominate the consumption of styrene. In particular, the O-atom attack reactions on the double bond of styrene play an important role in the JSR oxidation and the lean and stoichiometric flames, while the pyrolytic reactions have increasing contributions as the equivalence ratio increases. The phenyl radical plays a crucial role in the decomposition of styrene since it affords most of the reaction fluxes from styrene. In the aromatics growth process, phenylacetylene, the 1-phenylvinyl radical, the phenyl radical, and styrene serve as major precursors of polycyclic aromatic hydrocarbons (PAHs), leading to the high sooting tendency of styrene compared to toluene and ethylbenzene.
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DOI：
10.1016/s0082-0784(06)80717-4
发表时间：
1994
期刊：
--
影响因子：
--
作者：
P. Frank;J. Herzler;T. Just;C. Wahl
通讯作者：
P. Frank;J. Herzler;T. Just;C. Wahl
影响因子：
4.4
作者：
C. McEnally;L. Pfefferle
通讯作者：
C. McEnally;L. Pfefferle
影响因子：
4.4
作者：
DAGAUT, P;REUILLON, M;CATHONNET, M
通讯作者：
CATHONNET, M
DOI：
10.1021/jp2078067
发表时间：
2011-09
期刊：
The journal of physical chemistry. A
影响因子：
--
作者：
N. Sebbar;J. Bozzelli;H. Bockhorn
通讯作者：
N. Sebbar;J. Bozzelli;H. Bockhorn
影响因子：
8.8
作者：
Charlotte Westblad;Y. Levendis;H. Richter;J. Howard;J. Carlson
通讯作者：
Charlotte Westblad;Y. Levendis;H. Richter;J. Howard;J. Carlson