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  • 1 National Key Lab of Science and Technology on Combustion and Explosion, Xi’an Modern Chemistry Research Institute, Xi’an 710065, China
  • | 2 School of Chemistry and Materials Science, Shaanxi Normal University, Xi’an 710062, China
  • | 3 School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, China
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Abstract

The thermal decomposition behaviors of 1,2,3-triazole nitrate were studied using a Calvet Microcalorimeter at four different heating rates. Its apparent activation energy and pre-exponential factor of exothermic decomposition reaction are 133.77 kJ mol−1 and 1014.58 s−1, respectively. The critical temperature of thermal explosion is 374.97 K. The entropy of activation (ΔS ), the enthalpy of activation (ΔH ), and the free energy of activation (ΔG ) of the decomposition reaction are 23.88 J mol−1 K−1, 130.62 kJ mol−1, and 121.55 kJ mol−1, respectively. The self-accelerating decomposition temperature (T SADT) is 368.65 K. The specific heat capacity was determined by a Micro-DSC method and a theoretical calculation method. Specific heat capacity equation is (283.1 K < T < 353.2 K). The adiabatic time-to-explosion is calculated to be a certain value between 98.82 and 100.00 s. The critical temperature of hot-spot initiation is 637.14 K, and the characteristic drop height of impact sensitivity (H 50) is 9.16 cm.

  • 1. Gao, HX, Ye, CF, Piekarski, CM 2007 Computational characterization of energetic salts. J Phys Chem C. 111:1071810726 .

  • 2. Agrawal, JP 1998 Recent trends in high-energy materials. Prog Energ Combust Sci. 24:113 .

  • 3. Huang, HF, Meng, ZH, Zhou, ZM, Gao, HX, Zhang, J, Wu, YK 2009 Energetic salts and energetic ionic liquids. Prog Chem 21:152161 (in Chinese)

    • Search Google Scholar
    • Export Citation
  • 4. Drake, G, Kaplan, G, Hall, L, Hawkins, T, Larue, J 2007 A new family of energetic ionic liquids 1-amino-3-alkyl-1,2,3-triazolium nitrates. J Chem Crys. 37:1522 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 5. Ye, CF, Shreeve, JM 2007 Rapid and accurate estimation of densities of room-temperature ionic liquids and salts. J Phys Chem A. 111:14561461 .

  • 6. Tong, B, Liu, QS, Tan, ZC, Urs, WB 2010 Thermochemistry of alkyl pyridinium bromide ionic liquids: calorimetric measurements and calculation. J Phys Chem A. 114:37823787 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 7. Krossing, I, Slattery, JM, Daguenet, C, Dyson, PJ, Oleinikova, A, Weingärtner, H 2006 Why are ionic liquids liquid? A simple explanation based on lattice and salvation energies. J Am Chem Soc. 128:1342713434 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 8. Kolaski, M, Lee, HM, Pak, C, Kim, KS 2008 Charge-transfer-to-solvent-driven dissolution dynamics of 1-(H2O)2-5 upon excitation: excited-state ab initio molecular dynamics simulations. J Am Chem Soc. 130:103112 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 9. Mel’yanenko, EVN, Verevkin, SP, Heintz, A 2009 Imidazolium-based ionic liquids. 1-Methyl imidazolium nitrate: thermochemical measurements and Ab initio calculations. J Phys Chem B. 113:98719881 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 10. Urszula, D, Andrzej, M 2007 Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium trifluoroacetate. J Phys Chem B. 111:1198411988 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 11. Fischer, G, Holl, G, Klapötke, TM, Weigand, JJ 2005 A study on thermal decomposition behavior of derivatives of 1,5-diamino-1H-tetrazole (DAT): a new family of energetic heterocyclic-based salts. Thermochim Acta. 437:168175 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 12. Chowdhury, A, Thynell, ST 2007 Confined rapid thermolysis/FTIR/ToF studies of triazolium-based energetic ionic liquids. Thermochim Acta. 466:111 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 13. Chowdhury, A, Thynell, ST, Lin, P 2009 Confined rapid thermolysis/FTIR/ToF studies of triazolium-based energetic ionic liquids. Thermochim Acta. 485:112 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 14. Kissinger, HE 1957 Reaction kinetics in differential thermal analysis. Anal Chem. 29:17021706 .

  • 15. Ozawa, T 1965 A new method of analyzing thermogravimetric data. Bull Chem Soc Jpn. 38:18811886 .

  • 16. Hu, RZ, Gao, SL, Zhao, FQ, Shi, QZ, Zhang, TL, Zhang, JG 2008 Thermal analysis kinetics 2 Science Press Beijing (in Chinese)

  • 17. Xing, XL, Xue, L, Zhao, FQ, Gao, HX, Hu, RZ 2009 Thermochemical properties of 1,1-diamino-2,2-dinitroethylene (FOX-7) in dimethyl sulfoxide (DMSO). Thermochim Acta. 35:491497.

    • Search Google Scholar
    • Export Citation
  • 18. Gao, HX, Zhao, FQ, Hu, RZ, Zhao, HA, Zhang, H 2009 Estimation of the critical temperature of thermal explosion for azido-acetic-acid-2-(2-azido-acetoxy)-ethylester using non-isothermal DSC. J Therm Anal Calorim. 95:477482 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 19. Xu, KZ, Song, JR, Zhao, FQ, Ma, HX, Gao, HX, Chang, CR, Ren, YH, Hu, RZ 2008 Thermal behavior, specific heat capacity and adiabatic time-to explosion of G(FOX-7). J Hazard Mater. 158:333339 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 20. Xue, L, Zhao, FQ, Xing, XL, Gao, HX, Xu, SY, Hu, RZ 2009 Dissolution properties of 1,3,3-trinitroazetidine (TNAZ) in ethyl acetate and N,N-dimethylformamide. Acta Phy Chim Sin. 25:24132421.

    • Search Google Scholar
    • Export Citation
  • 21. Xue, L, Zhao, FQ, Hu, RZ, Gao, HX 2010 A simple method to estimate the critical temperature of thermal explosion for energetic materials using nonisothermal DSC. J Energ Mater. 28:1731 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 22. Li, JZ, Fan, XZ, Hu, RZ, Zhao, FQ, Gao, HX 2009 Thermal behavior of copper(II) 4-nitroimidazolate. J Therm Anal Calorim. 96:01195 .

  • 23. Xu, SY, Zhao, FQ, Yi, JH, Hu, RZ, Gao, HX, Li, SW, Hao, HX, Pei, Q 2008 Thermal behavior and non-isothermal decomposition reaction kinetics of composite modified double base propellant containing CL-20. Acta Phy Chim Sin. 24:13711379.

    • Search Google Scholar
    • Export Citation
  • 24. Arkady, MK, Liubov, PS 2010 Molar heat capacities of the (water + acetonitrile) mixtures at T = (283.15, 298.15, 313.15, and 328.15) K. J Chem Thermodyn. 42:12091212 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 25. Dong, HS, Zhao, FF 1989 Performances of high explosive and its related materials Science Press Beijing.

  • 26. Dong, HS, Hu, RZ, Yao, P, Zhang, XX 2001 Thermograms of energetic materials National Defence Industry Press Beijing.

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  • Impact Factor (2019): 2.731
  • Scimago Journal Rank (2019): 0.415
  • SJR Hirsch-Index (2019): 87
  • SJR Quartile Score (2019): Q3 Condensed Matter Physics
  • SJR Quartile Score (2019): Q3 Physical and Theoretical Chemistry
  • Impact Factor (2018): 2.471
  • Scimago Journal Rank (2018): 0.634
  • SJR Hirsch-Index (2018): 78
  • SJR Quartile Score (2018): Q2 Condensed Matter Physics
  • SJR Quartile Score (2018): Q2 Physical and Theoretical Chemistry

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Journal of Thermal Analysis and Calorimetry
Language English
Size A4
Year of
Foundation
1969
Volumes
per Year
4
Issues
per Year
24
Founder Akadémiai Kiadó
Founder's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
Publisher's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
CH-6330 Cham, Switzerland Gewerbestrasse 11.
Responsible
Publisher
Chief Executive Officer, Akadémiai Kiadó
ISSN 1388-6150 (Print)
ISSN 1588-2926 (Online)

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