Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (06): 1154-1160.doi: 10.3866/PKU.WHXB201303201

• THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY • Previous Articles     Next Articles

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).

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