Kinetics and Mechanism of the Exothermic First‐stage Decomposition Reaction for 1,5‐Dimethyl‐2,6‐bis (2,2,2‐trinitroethyl) ‐glycoluril

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AbstractThe thermal behavior, mechanism and kinetic parameters of the exothermic first‐stage decomposition reaction of the title compound in a temperature‐programmed mode have been investigated by means of DSC, TG‐DTG and IR. The reaction mechanism was proposed. The empirical kinetic model functions in differential form, apparent activation energy (Ea) and pre‐exponential factor (A) of this reaction are (1 ‐ α) −1.119, 211.3 kj/mol and 1020.2 s−1, respectively. The critical temperature of thermal explosion of the compound is 202.2 °C. The values of ΔS≠, ΔH≠ and CΔG≠ of this reaction are 143.8 J.mol−1.K−1, 208.7 kj/mol and 141.7 kj/mol, respectively.