Kinetics and Mechanism of Exothermic First-stage Decomposition Reaction of 2,6-Bis(2,2,2-trinitroeth

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The thermal behavior, mechanism and kinetic parameters of the exothermic first-stage decomposition of the title compound in a temperature-programmed mode were investigated by means of DSC, TG-DTG and IR. The reaction mechanism was proposed. The kinetic model function in differential form, apparent activation energy(%E%-a) and pre-exponential factor(%A%) of this reaction are (3/2)(1-%α%)[-ln(1-%α%)]+{1/3}, 185^52 kJ/mol and 10+{17^78} s+{-1}, respectively. The critical temperature of the thermal explosion of the compound is 201^30 ℃. The values of Δ%S%+≠, Δ%H%+≠ and Δ%G%+≠ of this reaction are 72^46 J/(mol· K), 175^1 kJ/mol and 141^50 kJ/mol, respectively. The thermal behavior, mechanism and kinetic parameters of the exothermic first-stage decomposition of the title compound in a temperature-programmed mode were investigated by means of DSC, TG-DTG and IR. The kinetic model function in differential form, apparent activation energy (% E % - a) and pre-exponential factor (% A %) of this reaction are (3/2) (1 - % alpha %) [- ln (1 - % α %) ] + {1/3 }, 185 ^ 52 kJ / mol and 10 + { 17 ^ 78 s + {- 1 }, respectively. The critical temperature of the thermal explosion of the compound is 201 ^ 30 ° C. The values ​​of Δ % S % + ≠, Δ % H % + ≠ and Δ % G % + ≠ of this reaction are 72 ^ 46 J / (mol · K), 175 ^ 1 kJ / mol and 141 ^ 50 kJ / mol, respectively.
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