包含PAH的正庚烷燃烧简化机理

Reduced Combustion Mechanism of N-heptane with PAH Formation

对W ang和Frenklach提出的乙炔和乙烯燃烧详细化学反应机理(包含99种组分,527个反应)进行敏感性分析,提取其中影响PAH生成的重要反应,加入到天津大学内燃机国家重点实验室提出的正庚烷燃烧简化机理(SKLE)中,创建了一个新的包含PAH的正庚烷燃烧简化机理(包含65种组分,79个反应)。模拟结果与美国Curran H.J等人提出的正庚烷燃烧详细反应机理(包含544种组分,2 446个反应)吻合得很好。表明新机理能精确的反映正庚烷的燃烧特性,同时为预测PAH的生成提供参考依据。

By using sensitivity analysis, several key reactions related to PAH （Polycyclic Aromatic Hydrocarbon） formation were abstracted from the detailed mechanisms of ethylene and ethyne oxidation which was developed by Wang and Frenklach. Then these key reactions were inserted into the SKLE mechanism developed by Tianjin University to create a new reduced kinetic mechanism of n-heptane oxidation included PAH formation, which includes 65 species and 79 reactions. The results predicted by using this new reduced mechanism are in good agreement with those predicted by using detailed mechanism of n-heptane oxidation developed by H. J. Curran et al, which contains 544 species and 2 446 reactions. Moreover, these results indicate that the model based on this reduced kinetic mechanism properly describes n-heptane oxidation chemistry and quantitatively predicts PAH formation.