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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 [ 7·3·0·03,7 ] -dodecane-5, 11-dione
Pages: 81-84
Year: Issue:  2

Keyword:  decompositionTBHTDDkineticsmechanism;
Abstract: The thermal behavior,mechanism and kinetic parameters of the first-stage exothermic decomposition reac-tion of the title compound in a temperature-programmed mode were investigated by means of DSC ,TG-DTG and IR. The re-action mechanism has been proposed. The empirical kinetic model functions in differential forms, the apparent activation en-ergy (Ea) and the pre-exponential factor(A) of this reaction are 1/3( 1 - α) [ - ln( 1 - α)] -2 , 166.6 kJ @ mol-1 and1013.29 s-1, respectively. The critical temperature of thermal explosion of the compound is 191.16 ℃. The values of △S≠,△H≠ and △G≠ of the reaction are 50.8 J @ mol -1 @ K - 1 , 162.9 kJ @ mol - 1 and 139.9 kJ @ mol - 1, respectively.
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