CHINESE JOURNAL OF ENERGETIC MATERIALS
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2,4,6-三硝基-3,5-二氟苯酚热分解动力学
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中北大学环境与安全工程学院,山西 太原 030051

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Kinetics of Thermal Decomposition of 2,4,6-Trinitro-3,5-Difluorophenol
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School of Environment and Safety Engineering, North University of China, Taiyuan 030051, China

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    摘要:

    为了研究2,4,6-三硝基-3,5-二氟苯酚的热分解行为,采用热失重-差热分析(TG-DTA)方法对2,4,6-三硝基-3,5-二氟苯酚的非等温热分解动力学进行研究。在氮气的氛围下,分别以升温速率为5,10,15,20 K·min-1对2,4,6-三硝基-3,5-二氟苯酚的TG-DTA曲线进行实时分析。采用F-W-O、Doyle、Kissinger和Satava-Sestak方法分别计算了2,4,6-三硝基-3,5-二氟苯酚的活化能(E)、指前因子(A)等热分解动力学参数,结果表明,该化合物在热分解过程中先转变为熔融态再进行分解,且分解时迅速放热。计算其热分解的表观活化能平均值为123.06 kJ·mol-1,指前因子为1.37×1013 min-1,确定其反应机理函数的积分形式为g(α)=α1/2,根据其活化能和指前因子计算其热分解过程中的活化焓为122.65 kJ·mol-1,活化熵为121.46 J·mol-1·K-1,活化吉布斯自由能为62.98 kJ·mol-1

    Abstract:

    In order to study the thermal decomposition behavior of 2,4,6-trinitro-3,5-difluorophenol, the non-isothermal decomposition reaction kinetics of 2,4,6-trinitro-3,5-difluorophenol was studied by thermogravimetric-differential thermal analysis (TG-DTA). TG-DTA experiments were carried out under dynamic nitrogen atmosphere of 30 mL·min-1 with heating rates of 5, 10, 15 K·min-1 and 20 K·min-1, respectively. The thermal decomposition parameters of 2,4,6-trinitro-3,5-difluorophenol, such as activation energy (E) and pre-exponential factor (A), were calculated by F-W-O, Doyle, Kissinger and Satava- Sestak methods, respectively. Results show that the compound converts into molten state first and then decompose along with rapidly exothermic. The average apparent activation energy of thermal decomposition was calculated to be 122.65 kJ·mol-1 with a pre-exponential factor of 1.37×1013 min-1, and the integral form of reaction mechanism function is g(α)1/2. The calculated activation enthalpy () in the thermal decomposition process according to its activation energy and pre-exponential factor is 123.06 kJ·mol-1, the activation entropy () is 121.46 J·mol-1·K-1, and the Gibbs free energy of activation () is 62.98 kJ·mol-1.

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引用本文

杨雷,刘玉存,荆苏明.2,4,6-三硝基-3,5-二氟苯酚热分解动力学[J].含能材料, 2020, 28(7):690-694. DOI:10.11943/CJEM2019259.
YANG Lei, LIU Yu-cun, JING Su-ming. Kinetics of Thermal Decomposition of 2,4,6-Trinitro-3,5-Difluorophenol[J]. Chinese Journal of Energetic Materials, 2020, 28(7):690-694. DOI:10.11943/CJEM2019259.

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历史
  • 收稿日期: 2019-10-09
  • 最后修改日期: 2020-02-27
  • 录用日期: 2020-01-21
  • 在线发布日期: 2020-02-26
  • 出版日期: 2020-07-25