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Non‐isothermal Decomposition Kinetics, Specific Heat Capacity and Adiabatic Time‐to‐explosion of a High Energy Material: 4,6‐Bis(5‐amino‐3‐nitro‐1,2,4‐triazol‐1‐yl)‐5‐nitropyrimidine
Author(s) -
Zhang Laying,
Heng Shuyun,
Jia Siyuan,
Xu Kangzhen,
Zhang Gao,
Yi Jianhua,
Wang Bozhou,
Zhao Fengqi
Publication year - 2010
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.201090088
Subject(s) - chemistry , adiabatic process , heat capacity , isothermal process , kinetic energy , thermal decomposition , thermodynamics , exothermic reaction , kinetics , nitro , decomposition , activation energy , energetic material , calorimetry , organic chemistry , explosive material , physics , alkyl , quantum mechanics
The thermal behavior of 4,6‐bis‐(5‐amino‐3‐nitro‐1,2,4‐triazol‐1‐yl)‐5‐nitropyrimidine (BANTNP) was studied under a non‐isothermal condition by DSC, PDSC and TG/DTG methods. The kinetic parameters ( E a and A ) of the exothermic decomposition reaction are 304.52 kJ·mol −1 and 10 24.47 s −1 at 0.1 MPa, 272.52 kJ·mol −1 and 10 21.76 s −1 at 5.0 MPa, respectively. The kinetic equation at 0.1 MPa can be expressed as:d α /d T =10 25.3 (1− α ) 3/4 exp(−3.8044×10 4 / T )/ β The critical temperature of thermal explosion is 588.28 K. The specific heat capacity of BANTNP was determined with a Micro‐DSC method, and the standard molar specific heat capacity is 397.54 J·mol −1 ·K −1 at 298.15 K. The adiabatic time‐to‐explosion of BANTNP was calculated to be 11.75 s.