Citation: BAO Shi-Long, CHEN Wang-Hua, CHEN Li-Ping, GAO Hai-Su, LÜ Jia-Yu. Identification and Thermokinetics of Autocatalytic Exothermic Decomposition of 2,4-Dinitrotoluene[J]. Acta Physico-Chimica Sinica, ;2013, 29(03): 479-485. doi: 10.3866/PKU.WHXB201212141 shu

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

1.
Department of Safety Engineering, Institute of Chemical Technology, Nanjing University of Technology and Science, Nanjing 210094, P. R. China

Received Date: 28 September 2012
Available Online: 14 December 2012
Fund Project: 国家自然科学基金(51204099)资助项目 (51204099)

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 (ΔH_d) 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.
- Autocatalytic decomposition reaction,
- Differential scanning calorimeter,
- Rapid identification,
- Malek method,
- Decomposition kinetics
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