物理化学学报 >> 2013, Vol. 29 >> Issue (06): 1154-1160.doi: 10.3866/PKU.WHXB201303201

热力学,动力学和结构化学 上一篇    下一篇

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. 1 清华大学航天航空学院, 北京 100084;
    2 国家节能中心, 北京 100045
  • 收稿日期:2012-11-29 修回日期:2013-03-20 发布日期:2013-05-17
  • 通讯作者: 钟北京 E-mail:zhongbj@tsinghua.edu.cn
  • 基金资助:

    国家自然科学基金(51036004)资助项目

Chemical Kinetic Model for Polycyclic Aromatic Hydrocarbon Formation during Gasoline Surrogate Fuel Combustion

ZHENG Dong1, ZHANG Yun-Peng2, ZHONG Bei-Jing1   

  1. 1 School of Aerospace, Tsinghua University, Beijing 100084, P. R. China;
    2 National Energy Conservation Center Beijing 100045, P. R. China
  • Received:2012-11-29 Revised:2013-03-20 Published:2013-05-17
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (51036004).

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

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 computational fluid dynamics simulations for PAH formation of gasoline combustion. However, compared with the existing kinetic model, the present kinetic model contains fewer species and reactions, so it is closer to the aim of a model for practical applications.

Key words: Surrogate fuel, Polycyclic aromatic hydrocarbon, Precursor, Reaction mechanism, Premixed flame

MSC2000: 

  • O643