Kinetics and Mechanism of Exothermic First-stage Decomposition Reaction of 2,6-Bis (2,2,2-trinitroethyl)glycoluril

Chemical Research in Chinese Universities ›› 2004, Vol. 20 ›› Issue (5): 624-626.

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Kinetics and Mechanism of Exothermic First-stage Decomposition Reaction of 2,6-Bis (2,2,2-trinitroethyl)glycoluril

HU Rong-zu^1,2, YANG De-suo², GAO Sheng-li¹, ZHAO Feng-qi², CHEN San-ping¹, CHEN Pei², LUO Yang², ZHAO Hong-an¹, SHI Qi-zhen¹

1. Department of Chemistry, Northwest University, Xi'an 710069, P. R. China;Xi'an Modern Chemistry Research Institute, Xi'an 710065, P. R. China;
2. Xi'an Modern Chemistry Research Institute, Xi'an 710065, P. R. China

Received:2003-07-18 Online:2004-10-24 Published:2011-08-06
Supported by:
Supported by the Science and Technology Foundation ot Shaanxi Key Laboratory ot Physico-inorganic Chemistry(No.29-3, 2001) and the Science and Technology Foundation of the National Defence Key Laboratory of Propellant and Explosive Combustion of China(No.514550101, 2003).

Abstract

Abstract: The thermal behavior, mechanism and kinetic parameters of the exothermic first-stage decomposition of the title compound in a temperature-programmed mode were 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 (3/2)(1-a)[-ln(1-a)]^1/3, 185.52 kJ/mol and 10^17.78 s^-1, respectively.The critical temperature of the thermal explosion of the compound is 201.30 ℃.The values of ΔS^≠, ΔH^≠ and ΔG^≠ of this reaction are 72.46 J/(mol · K), 175.1 kJ/mol and 141.50 kJ/mol, respectively.

Key words: Decomposition, TBHTDD, Kinetics, Mechanism

HU Rong-zu, YANG De-suo, GAO Sheng-li, ZHAO Feng-qi, CHEN San-ping, CHEN Pei, LUO Yang, ZHAO Hong-an, SHI Qi-zhen. Kinetics and Mechanism of Exothermic First-stage Decomposition Reaction of 2,6-Bis (2,2,2-trinitroethyl)glycoluril[J]. Chemical Research in Chinese Universities, 2004, 20(5): 624-626.

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Kinetics and Mechanism of Exothermic First-stage Decomposition Reaction of 2,6-Bis (2,2,2-trinitroethyl)glycoluril

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