Kinetics and mechanism of the exothermic first-stage decomposition reaction of 1,3-bis(2,2,2-trinitroethyl)-1,3-diazacyclopentanone-2

Hu Rong-zu; Yang De-suo; Gao Sheng-li; Chen San-ping; Zhao Hong-an; Shi Qi-zhen

doi:10.1016/s0304-3894(03)00179-1

Kinetics and mechanism of the exothermic first-stage decomposition reaction of 1,3-bis(2,2,2-trinitroethyl)-1,3-diazacyclopentanone-2

J Hazard Mater. 2003 Aug 29;102(2-3):147-53. doi: 10.1016/s0304-3894(03)00179-1.

Authors

Hu Rong-zu¹, Yang De-suo, Gao Sheng-li, Chen San-ping, Zhao Hong-an, Shi Qi-zhen

Affiliation

¹ Shaanxi key Laboratory of Physico-Inorganic Chemistry, Department of Chemistry, Northwest University, Xian, 710069, Shaanxi, China. hurongzu@public.xa.sn.cn

PMID: 12972234
DOI: 10.1016/s0304-3894(03)00179-1

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Cyclopentanes / chemistry*
Imidazoles / chemistry*
Kinetics
Models, Theoretical*
Nitro Compounds / chemistry*
Risk Assessment
Temperature

Substances

1,3-bis(2,2,2-trinitroethyl)-1,3-diazacyclopentanone-2
Cyclopentanes
Imidazoles
Nitro Compounds