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Effect of Deuteration on the Structure and Thermal Behavior of TATP
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1.School of Mechatronical Engineering, Beijing Institute of Technology, Beijing 100081, China;2.School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China

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    Abstract:

    To investigate the effect of deuteration on the vibrational properties of chemical bonds of triacetone triperoxide (TATP) and its thermal decomposition behavior, TATP and deuterated triacetone triperoxide (TATP-d18) were prepared by using acetone and acetone-d6 as raw materials, respectively, with hydrogen peroxide acting as the oxidant source and sulfuric acid as the catalyst. TATP and TATP-d18 were characterized by nuclear magnetic resonance spectroscopy (NMR), Fourier transform infrared spectroscopy (FTIR) and differential scanning calorimetry (DSC). The non-isothermal reaction kinetic parameters of TATP and TATP-d18 were calculated with Kissinger, Ozawa, and Friedman methods. The results show that the deuteration of TATP results in an evident red-shift phenomenon, and the ratio of the stretching frequencies of C—H(D) bonds (νC—HC—D) is about 1.36. The apparent activation energy of TATP-d18EK=80.54 kJ·mol-1EO=83.56 kJ·mol-1EF=72.27 kJ mol-1) is higher than that of TATP (EK=67.91 kJ·mol-1EO=71.01 kJ·mol-1EF=63.79 kJ·mol-1), indicating that TATP-d18 has higher thermal stability. The calculated thermal explosion critical temperatures for TATP (Tb=402.37 K) and TATP-d18Tb=423.46 K) also confirm that deuteration improves the thermal stability of TATP-d18. Finally, the calculated thermodynamic parameters for the non-isothermal decomposition processes of TATP and TATP-d18 indicate that TATP and TATP-d18 would not spontaneously undergo thermal explosions.

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方祝青,李树奎,刘吉平,等.氘化对TATP结构和热行为的影响[J].含能材料,2022,30(7):687-693.
FANG Zhu-qing, LI Shu-kui, LIU Ji-ping, et al. Effect of Deuteration on the Structure and Thermal Behavior of TATP[J]. Chinese Journal of Energetic Materials,2022,30(7):687-693.

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History
  • Received:March 08,2022
  • Revised:May 05,2022
  • Adopted:April 11,2022
  • Online: May 05,2022
  • Published: July 25,2022