Kinetics and mechanism of the exothermic first-stage decomposition reaction of 1,3-bis(2,2,2-trinitroethyl)-1,3-diazacyclopentanone-2

Add time:08/24/2019    Source:sciencedirect.com

The 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 kinetic model function in differential form, apparent activation energy (Ea) and pre-exponential factor (A) of this reaction are (1−α)2, 178.41 kJ mol−1 and 1017.06 s−1, respectively. The critical temperature of thermal explosion of the compound is 184.99 °C. The values of ΔS≠, ΔH≠ and ΔG≠ of this reaction are 91.54 J mol−1 K−1, 176.86 kJ mol−1 and 135.83 kJ mol−1, respectively.

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