Research on the possible combustion reaction of C4H4 and its anharmonic effect

The reactions of C4H4 with free radicals and inorganic substances are the significant part in miniaturizing combustion mechanisms. 35 reactions are studied in these reaction processes in the temperature range of 300 K to 4000 K. The harmonic rate constants are larger than the anharmonic rate constants in most cases and the anharmonic effect in these reactions shouldn't be ignored. Especially, the experimental data is closer to the anharmonic rate constant at high temperature, and the negative temperature coefficient appears in anharmonic rate constant and in the experiments. Finally, the kinetic parameters and the thermodynamic parameters are calculated.