Kinetics of Thermal Decomposition of 2, 4, 6-Trinitro-3, 5-Difluorophenol

被引:0
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作者
Yang L. [1 ]
Liu Y.-C. [1 ]
Jing S.-M. [1 ]
机构
[1] School of Environment and Safety Engineering, North University of China, Taiyuan
关键词
2; 4; 6-trinitro-3; 5-difluorophenol; Activation energy; Non-isothermal kinetics; Thermal decomposition;
D O I
10.11943/CJEM2019259
中图分类号
学科分类号
摘要
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)=α1/2. The calculated activation enthalpy (ΔH^≠) in the thermal decomposition process according to its activation energy and pre-exponential factor is 123.06 kJ•mol-1, the activation entropy (ΔS^≠) is 121.46 J•mol-1•K-1, and the Gibbs free energy of activation (ΔG^≠) is 62.98 kJ•mol-1. © 2020, Editorial Board of Chinese Journal of Energetic Materials. All right reserved.
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页码:690 / 694
页数:4
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  • [1] ZHAO Feng-qi, QU Wen-gang, GAO Hong-xu, Et al., Recent advances in the study of thermodynamic properties and thermo-kinetic behavior of energetic materials, Scientia Sinca Chimica, 44, 6, pp. 953-963, (2014)
  • [2] ZENG Tian, HAN Xue, CHEN Xiang, Et al., Structure, Thermal behavior and thermal safety of asymmetric 1, 2, 4, 5-tetrazine compounds DPHX and DMHT, Chinese Journal of Energetic Materials(Hanneng Cailiao), 26, 10, pp. 856-863, (2018)
  • [3] Klapotke T M, Chapman R D., Progress in the area of high energy density materials, 50 Years of Structure and Bonding-The Anniversary Volume, pp. 49-63, (2015)
  • [4] Varadwaj A, Varadwaj P R, Jin B Y., Fluorines in tetrafluoromethane as halogen bond donors: Revisiting address the nature of the fluorine's σ-hole, International Journal of Quantum Chemistry, 115, 7, pp. 453-470, (2015)
  • [5] Begue J P, Bonnet-Delpon D., Bioorganic and medicinal chemistry of fluorine, (2008)
  • [6] O'Hagan D., Understanding organofluorine chemistry. An introduction to the C-F bond, Chemical Society Reviews, 37, 2, pp. 308-319, (2008)
  • [7] Wang J, Liu H., Application of fluorine in drug design, Chinese Journal of Organic Chemistry, 31, 11, pp. 1785-1798, (2011)
  • [8] Champagne P A, Desroches J, Hamel J D, Et al., Monofluorination of organic compounds: 10 years of innovation, Chemical Reviews, 115, 17, pp. 9073-9174, (2015)
  • [9] REN Zhi-wen, REN Nan, ZHANG Fa-guang, Et al., Facile synthesis of fluorinated isoxazoles via consecutive double C-F bond cleavage, Acta Chimica Sinica, 76, 12, pp. 38-42, (2018)
  • [10] Klapotke T M, Chapman R D., Progress in the area of high energy density materials, 50 Years of Structure and Bonding-The Anniversary Volume, pp. 49-63, (2015)