Citation: LI Yan-Rong, PEI Yi-Qiang, QIN Jing, ZHANG Miao. A Reaction Mechanismof Polycyclic Aromatic Hydrocarbons for Gasoline Surrogate Fuels TRF[J]. Acta Physico-Chimica Sinica, ;2014, 30(6): 1017-1026. doi: 10.3866/PKU.WHXB201401251 shu

A Reaction Mechanismof Polycyclic Aromatic Hydrocarbons for Gasoline Surrogate Fuels TRF

1.
1 State Key Laboratory of Engines, Tianjin University, Tianjin 300072, P. R. China;
2 Internal Combustion Engine Research Institute, Tianjin University, Tianjin 300072, P. R. China

Received Date: 16 January 2014
Available Online: 2 April 2014
Fund Project:

A detailed reaction mechanism consisting of 287 species and 1569 reactions for gasoline surrogate fuels TRF (toluene reference fuels) with particular emphasis on the development of an accurate model for the formation of large polycyclic aromatic hydrocarbons (PAHs) has been researched and developed in this study. Four different types of reaction pathway for the growth of the PAHs were added to the new mechanism with the largest chemical species of this mechanism being pyrene (C₂₀H₁₂). Species, such as acetylene (C₂H₂), propargyl (C₃H₃), vinylacetylene (C₄H₄), and hydrocarbons with odd number of carbon atoms, such as cyclopentadienyl (C₅H₅) and indenyl (C₉H₇), played an important role in the formation and growth of PAH molecules, based on the analysis of PAH rate of production. This mechanism could be used to predict the ignition delay timing, mole fractions of several small important species, such as the PAH precursors C₂H₂ and C₃H₄, and mole fractions of the PAHs in the flames of the primary reference fuels (PRF) and TRF. Comparisons between the calculated and experimental results indicated the od predictability of this mechanism over a wide range of temperatures, pressures, and equivalence ratios. Results showthat this TRF mechanismcan be used to reliably predict the soot precursor PAHs.
- Gasoline surrogate fuels,
- Toluene,
- Primary reference fuel,
- Soot precursor,
- Polycyclic aromatic hydrocarbons,
- Chemical kinetic mechanism
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沈阳化工大学材料科学与工程学院沈阳 110142