汽油替代燃料燃烧过程中多环芳烃生成的化学动力学模型.PDF

物理化学学报(Wuli Huaxue Xuebao) 1154 Acta Phys. -Chim. Sin. 2013, 29 (6), 1154-1160 June [Article] doi: 10.3866/PKU.WHXB201303201 汽油替代燃料燃烧过程中多环芳烃生成的化学动力学模型 郑 东1 张云鹏2 钟北京1,* 1 2 ( 清华大学航天航空学院, 北京100084; 国家节能中心, 北京100045) 摘要: 提出了一个包含103组分和395 个基元反应, 能够较好描述多组分汽油替代燃料多环芳烃(PAHs)生成 的化学动力学机理模型. 计算结果与实验数据的对比表明, 该机理能够准确地计算乙烯、甲苯、正庚烷预混火焰 和正庚烷部分预混对冲火焰中PAHs 及其前驱物组分分布. 虽然本文机理目前还无法直接应用于汽油燃烧过 程的PAHs 多维数值模拟, 但与现有的汽油替代燃料PAHs 机理相比, 本文提出的机理规模更小, 距离实际应用 的目标更近. 关键词: 替代燃料; 多环芳烃; 前驱物; 反应机理; 预混火焰 中图分类号: O643 Chemical Kinetic Model for Polycyclic Aromatic Hydrocarbon Formation during Gasoline Surrogate Fuel Combustion ZHENG Dong1 ZHANG Yun-Peng2 ZHONG Bei-Jing1,* 1 ( School of Aerospace, Tsinghua University, Beijing 100084, P. R. China; 2National Energy Conservation Center, Beijing 100045, P. R. China) Abstract: A chemical kinetic model consisting of 103 species and 395 elementary reactions has been developed. This kinetic model well describes the formation of polycyclic aromatic hydrocarbons (PAHs) for multi-component gasoline surrogate fuels. Model validation results showed that the predicted PAHs and aromatic precursors using this chemical mechanism were consistent with the experimental results in the premixed flame of ethylene, toluene, n-heptane, and the opposed flow flame of n-heptane. The mechanism is not yet applicable to multidimensional computat