Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (03): 479-485.doi: 10.3866/PKU.WHXB201212141

• THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY • Previous Articles     Next Articles

Identification and Thermokinetics of Autocatalytic Exothermic Decomposition of 2,4-Dinitrotoluene

BAO Shi-Long, CHEN Wang-Hua, CHEN Li-Ping, GAO Hai-Su, LÜ Jia-Yu   

  1. Department of Safety Engineering, Institute of Chemical Technology, Nanjing University of Technology and Science, Nanjing 210094, P. R. China
  • Received:2012-09-28 Revised:2012-12-13 Published:2013-02-25
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (51204099).

Abstract:

The thermal stability and autocatalytic decomposition of 2,4-dinitrotoluene (2,4-DNT) is investigated under dynamic and isothermal conditions using differential scanning calorimetry (DSC). The temperature range of initial exothermic temperature (T0) is 272.4-303.5℃, and its decomposition enthalpy (ΔHd) is about 2.22 kJ·g-1. An identification method based on a numerical simulation technique from the Swiss Institute for the Promotion of Safety and Security (Swiss method) is used to determine the characteristic parameters of the decomposition reaction, revealing that the decomposition of 2,4-DNT is potentially autocatalytic. The Malek method is used to determine the most probable mechanism function and kinetic parameters of 2,4-DNT decomposition. The Sestak-Berggren model with two parameters is suitable to describe the autocatalytic decomposition of 2,4-DNT, which is consistent with the results of the Swiss method and isothermal experimental results. Isothermal DSC experiments confirmed that the decomposition of 2,4-DNT is autocatalytic.

Key words: Autocatalytic decomposition reaction, Differential scanning calorimeter, Rapid identification, Malek method, Decomposition kinetics

MSC2000: 

  • O642