Pyrolysis Kinetics and Combustion Behaviors of a High-Nitrogen Compound, 4,4'-Azobis(1,2,4-triazole)

Int J Mol Sci. 2022 Sep 25;23(19):11313. doi: 10.3390/ijms231911313.

Abstract

To study the thermal decomposition behavior of 4,4'-azobis(1,2,4-triazole) (ATRZ), the non-isothermal thermal decomposition kinetics of ATRZ were studied using the thermogravimetric-differential scanning calorimetry (TG-DSC) method. The TG-DSC of ATRZ was analyzed at heating rates of 5, 10, 15, and 20 K·min-1 in an argon atmosphere. The thermal decomposition kinetic parameters at peak temperature (Tp), such as apparent activation energy (Ea) and pre-exponential factor (lgA) of ATRZ, were calculated using the Kissinger, Ozawa, and Satava-Sestak methods. Ea and lgA calculated using the Kissinger, Ozawa, and Satava-Sestak methods are very close, at 780.2 kJ·mol-1/70.5 s-1, 751.1 kJ·mol-1/71.8 s-1, and 762.1 kJ·mol-1/71.8 s-1, respectively. Using a combination of three methods, the reaction mechanism function g(α) of ATRZ was obtained. The results show that the decomposition temperature of ATRZ is about 310 °C, and the decomposition is rapidly exothermic. The pyrolysis path of ATRZ was investigated through a pyrolysis-gas chromatography mass spectrometry (PY-GC/MS) experiment. ATRZ has three different decomposition paths and finally generates N2, HC-N-CH, N≡C-N, and HC=N-C≡N. The laser ignition combustion duration of ATRZ was 0.5033 s and the peak temperature was 1913 °C. The laser ignition combustion duration of ATRZ+CL-20 was 1.0277 s and the peak temperature was 2105 °C. The rapid energy release rate of ATRZ promotes the combustion energy release of CL-20.

Keywords: ATRZ; combustion; thermal analysis; thermal properties.

MeSH terms

  • Argon
  • Kinetics
  • Nitrogen*
  • Pyrolysis*
  • Thermogravimetry
  • Triazoles

Substances

  • Triazoles
  • 1,2,4-triazole
  • Argon
  • Nitrogen