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采用详细反应机理对正庚烷部分预混对冲层流火焰中苯环与乙炔的生成进行了模拟,反应机理包括108种组分的572个基元反应。通过数值计算分析了部分预混对冲火焰的结构和主要反应物、反应生成物(O2、n-C7H16、CO2、CO、H2、H2O)、中间产物(CH4、C2H4、C2H2、C3Hx)以及苯的浓度分布,计算结果与实验结果吻合良好,说明该机理可以用于正庚烷层流对冲火焰中产物的预报。采用灵敏度分析与反应流分析方法对结果进行了分析,得出了正庚烷层流火焰中从正庚烷到苯环在低温(≤1 300 K)和高温条件下的主要反应链。
The detailed reaction mechanism was used to simulate the formation of benzene ring and acetylene in a partially pre-mixed n-heptane stream with flame retardation. The reaction mechanism consisted of 572 elementary reactions of 108 components. The structures of some premixed hedge flames and the reactions of the main reactants, the reaction products (O2, n-C7H16, CO2, CO, H2 and H2O) and the intermediates (CH4, C2H4, C2H2 and C3Hx) The results are in good agreement with the experimental results, indicating that this mechanism can be used to predict the products in the n-heptane laminar hedge flames. The results were analyzed by sensitivity analysis and reaction flow analysis, and the main reaction chain from n-heptane to benzene ring at low temperature (≤1 300 K) and high temperature in n-heptane laminar flame was obtained.