2,6,8,12-四硝基-4,10-二(2,2,2-三硝基乙基)-2,4,6,8,10,12-六氮杂三环[7·3·0·0^(3,7)]十二烷二酮-5,11-放热第一阶段分解反应的动力学和机理(英文)

Kinetics and Mechanism of the First-stage Exothermic Decomposition Reaction for 2,6,8,12-Tetranitro-4,10-bis (2,2,2-trinitroethyl)-2,4,6,8,10,12-hexaazatricyclo[7·3·0·0^(3 ,7)]-dodecane-5,11-dione

在程序升温条件下,用DSC、TG DTG和IR,研究了标题化合物的热行为和放热第一阶段分解反应的动力学和机理。提出了反应机理。该反应的微分形式的动力学模式函数、表观活化能(Ea)和指前因子(A)分别为1/3(1-α)[-ln(1-α)]-2,166.6kJ·mol-1和1013.29s-1。标题化合物的热爆炸临界温度为191.16℃。该反应的ΔS≠、ΔH≠和ΔG≠分别为50.8J·mol-1·K-1、162.9kJ·mol-1和139.9kJ·mol-1。

The thermal behavior,mechanism and kinetic parameters of the firststage exothermic decomposition reaction of the title compound in a temperatureprogrammed mode were investigated by means of DSC,TGDTG and IR. The reaction mechanism has been proposed. The empirical kinetic model functions in differential forms,the apparent activation energy (Ea) and the preexponential factor(A)of this reaction are 1/3(1-α)[-ln(1-α)]-2, 166.6 kJ·mol-1 and 1013.29 s-1, respectively. The critical temperature of thermal explosion of the compound is 191.16 ℃. The values of ΔS≠,ΔH≠ and ΔG≠ of the reaction are 50.8 J·mol-1·K-1,162.9 kJ·mol-1 and 139.9 kJ·mol-1,respectively.