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Thermal Hazard and Kinetic Study for the Hydrolysis in the Synthesis Process of FOX-7
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1.Xi′an Modern Chemistry ResearchI nstitute, Xi′an 710065, China;2.Gansu Yinguang Chemical Industry Group, Baiyin 730900, China

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    Abstract:

    To investigate the thermal hazards of the synthetic reaction process of FOX-7, the heat flow curve of the hydrolysisinvolved therein has been measured by using Reaction Calorimeter (RC1). The nth-order kinetic models were applied to different temperature systems and the apparent kinetic parameters of these processes were obtained. The results indicated that the exothermic heat of the synthesis reaction was -46.563 kJ∙mol-1, and the adiabatic temperature rise was 9.1 K. Under the thermal runaway chemical reaction condition, the maximum temperature of the synthesis reaction (MTSR) is 29.1 ℃. The reaction order is 1.21 for synthesis of 2-(dinitromethylene)-5,5-dinitrodihydropyrimidine-4,6-dione. The activation energy (Ea) of the reaction is 73.2 kJ∙mol-1, with the pre-exponential factor of 5.03×109 s-1.

    表 3 线性回归得到的指前因子和活化能Table 3 Pre-exponential factor and activation energy derived from the linear regression line
    表 1 FOX-7制备反应的反应热数据Table 1 Calorimetric data for the synthesis process of FOX-7
    表 2 不同温度条件下反应速率常数k的拟合结果Table 2 The reaction rate constants at different temperatures by a fitting method
    图1 FOX-7制备反应的热流曲线Fig.1 Heat flow curve recorded during the synthesis process of FOX-7
    图2 lnCA0(1-x)-lnqr图Fig.2 The dependences of lnqr on lnCA0(1-x) at different temperatures
    图3 lnk-1/T图Fig.3 The dependence of lnk on 1/T
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许诚,胡建建,周诚,等. FOX-7合成过程中水解反应的热危险性及反应动力学[J].含能材料,2022,30(3):250-255.
XU Cheng, HU Jian-jian, ZHOU Cheng, et al. Thermal Hazard and Kinetic Study for the Hydrolysis in the Synthesis Process of FOX-7[J]. Chinese Journal of Energetic Materials,2022,30(3):250-255.

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History
  • Received:July 23,2021
  • Revised:September 13,2021
  • Adopted:January 11,2022
  • Online: March 17,2022
  • Published: March 25,2022