title: Kinetics and mechanism of the exothermic first-stage decomposition reaction of 1,3-bis(2,2,2-trinitroethyl)-1,3-diazacyclopentanone-2.
abstract: 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.
authors.affiliation: Shaanxi key Laboratory of Physico-Inorganic Chemistry, Department of Chemistry, Northwest University, Xian, 710069, Shaanxi, China. hurongzu@public.xa.sn.cn
authors.forename: Hu
authors.initials: H
authors.lastname: Rong-zu
authors.forename: Yang
authors.initials: Y
authors.lastname: De-suo
authors.forename: Gao
authors.initials: G
authors.lastname: Sheng-li
authors.forename: Chen
authors.initials: C
authors.lastname: San-ping
authors.forename: Zhao
authors.initials: Z
authors.lastname: Hong-an
authors.forename: Shi
authors.initials: S
authors.lastname: Qi-zhen
mesh_terms: D003517:Cyclopentanes / Q000737:chemistry*; D007093:Imidazoles / Q000737:chemistry*; D007700:Kinetics; D008962:Models, Theoretical; D009574:Nitro Compounds / Q000737:chemistry*; D018570:Risk Assessment; D013696:Temperature
chemical_list: C481452:1,3-bis(2,2,2-trinitroethyl)-1,3-diazacyclopentanone-2; D003517:Cyclopentanes; D007093:Imidazoles; D009574:Nitro Compounds