Kinetics and mechanism of the exothermic first-stage decomposition reaction of 1,3-bis(2,2,2-trinitroethyl)-1,3-diazacyclopentanone-2.
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 kinetic model function in differential form, apparent activation energy (E(a)) and pre-exponential factor (A) of this reaction are (1-alpha)(2), 178.41 kJ mol(-1) and 10(17.06)s(-1), respectively. The critical temperature of thermal explosion of the compound is 184.99 degrees C. The values of DeltaS( not equal ), DeltaH( not equal ) and DeltaG( not equal ) of this reaction are 91.54 J mol(-1)K(-1), 176.86 kJ mol(-1) and 135.83 kJ mol(-1), respectively.
Rong-zu
Hu
H
Shaanxi key Laboratory of Physico-Inorganic Chemistry, Department of Chemistry, Northwest University, Xian, 710069, Shaanxi, China. hurongzu@public.xa.sn.cn
De-suo
Yang
Y
Sheng-li
Gao
G
San-ping
Chen
C
Hong-an
Zhao
Z
Qi-zhen
Shi
S
D003517:Cyclopentanes / Q000737:chemistry*; D007093:Imidazoles / Q000737:chemistry*; D007700:Kinetics; D008962:Models, Theoretical; D009574:Nitro Compounds / Q000737:chemistry*; D018570:Risk Assessment; D013696:Temperature
C481452:1,3-bis(2,2,2-trinitroethyl)-1,3-diazacyclopentanone-2; D003517:Cyclopentanes; D007093:Imidazoles; D009574:Nitro Compounds