本文报道了我们发展的一个包含176个物种和806个反应的乙基苯火焰模型，用于模拟4．0kPa压力下的富燃乙基苯火焰（φ=1．90）。结果表明本模型可以很好地预测各种产物及中间体的摩尔分数曲线。通过生成速率分析得到了乙基苯在富燃条件下的反应路径。分析结果显示，乙基苯在富燃条件下的主要分解路径为C6H5C2H5→C6H5CH2→C7H6→C5H5→C3H3→C3H2，产生的C3H2再经过氧化反应序列生成主要产物CO。此外，乙基苯支链上一系列的脱氢／β-断键反应也对乙基苯的分解具有不可忽视的作用。本模型为发展长链芳香烃模型打下了基础，有助于对未来实用燃料和航空替代燃料中长链芳香烃燃烧特性进行预测。
We report a kinetic model including 176 species and 806 elementary reactions, which can simulate a rich premixed ethylbenzene flame at 4.0 kPa and with a equivalence ratio of φ = 1.90. The model can predict the mole fraction profiles of major flame species and the key intermediates in the decomposition process of ethylbenzene with good agreement. Rate of production analysis was performed to draw the main decomposition pathways of ethylbenzene in the rich flame, which demonstrates that a reaction sequence of C6H5C2H5 →C6H5CH2 →C7H6 →c-C5H5 →C3H3 →C3H2 controls ethylbenzene decomposition. Furthermore, the H-abstraction following β-seission reactions on the side-chain are also important pathways for fuel decomposition. This model will be a start point for the development of kinetic models of aromatic fuels with longer side-chain structure in the near future, which will be useful for the prediction of global combustion properties of aromatic components in practical fuels and jet surrogate fuels.
参考文献
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| [2] | Ali Ergut;Yiannis A. Levendis;Henning Richter;Jack B. Howard;Joel Carlson .The effect of equivalence ratio on the soot onset chemistry in one-dimensional, atmospheric-pressure, premixed ethylbenzene flames[J].Combustion and Flame,2007(1/2):173-195. |
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