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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4.0 kPa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C_6H_5C_2H_5→C_6H_5CH_2→C_7H_6→C_5H_54→C_3H_3→C_3H_2,产生的C_3H_2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持性进行预测。
In this paper, we report an ethylbenzene flame model of 176 species and 806 reactions we developed to simulate a rich fuel benzene flame (φ = 1.90) at a pressure of 4.0 kPa. The results show that this model can predict the mole fraction curves of various products and intermediates well. The reaction path of ethylbenzene under rich conditions was obtained by the formation rate analysis. The results showed that the main decomposition path of ethylbenzene under rich combustion conditions was C_6H_5C_2H_5 → C_6H_5CH_2 → C_7H_6 → C_5H_54 → C_3H_3 → C_3H_2. The produced C_3H_2 was oxidized to produce the main product CO. In addition, a series of dehydrogenation / β-cleavage reactions on the ethylbenzene branch also have an irreversible effect on the decomposition of ethylbenzene. The model lays the foundation for the development of long-chain aromatics models and helps predict future long-chain aromatics combustion in both utility fuels and aviation alternative fuels.