At first, relevant discussions on pyrolysis reaction rules of hydrocarbon fuels, including the sensitivity analysis of the specific reaction rule and the relative importance between these reaction rules, were presented. According to the 1-D representation rule of a chemical and the limited number of pyrolysis reaction rules, a program ReaxGen was developed for automatic generation of the detailed mechanisms for large hydrocarbons. Then, relevant thermochemical and kinetic databases were constructed. In addition, how to construct a detailed pyrolysis modeling of hydrocarbon fuels was discussed. Finally, the detailed pyrolysis kinetic model of n-heptane was constructed. The newly constructed mechanisms were modeled to obtain the product distribution and the conversion of the initial reactants, as well as the heat sink. The comparative discussions of the modeling results with those in literature have been made.

Key words: pyrolysis, detailed mechanisms, heat sink, endothermic hydrocarbon fuel