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Kinetics and Mechanism of the Exothermic First‐stage Decomposition Reaction for 1,5‐Dimethyl‐2,6‐bis (2,2,2‐trinitroethyl) ‐glycoluril
Author(s) -
Li HnanYong,
Hu RongZu,
Yang DeSuo,
Zhao HongAn,
Gao ShengLi,
Shi QiZhen
Publication year - 2002
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.20020201207
Subject(s) - chemistry , exothermic reaction , activation energy , thermal decomposition , kinetic energy , kinetics , decomposition , reaction mechanism , thermodynamics , order of reaction , computational chemistry , reaction rate constant , organic chemistry , catalysis , physics , quantum mechanics
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 empirical kinetic model functions in differential form, apparent activation energy (E a ) and pre‐exponential factor (A) of this reaction are (1 ‐ α) −1.119 , 211.3 kj/mol and 10 20.2 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.
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