Synthesis and Theoretical Studies of a New Insensitive Explosive, 2’-Methyl-3-nitro-2’H-[1,3’-bi(1,2,4-triazole)]-5,5’-diamine

• Autorzy: Luo J. , Liu Y. , Liu Y. , Wang J. , Chai T. , Yuan J. , Chang S. , Yu Y. , Jing S. , Ma H.

Identyfikatory

DOI

10.22211/cejem/68913

• Języki publikacji: EN

Abstrakty

EN

A new insensitive energetic material 2’-methyl-3-nitro-2’H-[1,3’-bi(1,2,4-triazole)]-5,5’-diamine (1) was prepared by a three-step synthesis from commercially available chemicals. The energetic title compound was comprehensively characterized by various means, including FT-IR, multinuclear (1H, 13C, 14N) NMR spectroscopy, elemental analysis, HPLC and thermal analysis. The sensitivities of the synthesized material towards various external stimuli (impact, friction) were determined according to the BAM method. The optimized structure and related thermodynamic parameters were obtained at the DFT-B3LYP/6-31+G** theoretical level. The detonation properties of the material were also predicted according to the Kamlet-Jacobs formulae and the Monte-Carlo method. The results show that the density, heat of formation, detonation velocity, detonation pressure, impact sensitivity and purity were 1.83 g/cm3, 369 kJ/mol, 7.52 km/s, 25.4 GPa, 82.3 J and 97.7%, respectively. In addition, the compound was an insensitive high explosive which could meet the requirements of high energetic materials.

Słowa kluczowe

EN

insensitive explosive; synthesis; theoretical studies; density functional theory; new 1,2,4-triazole derivative

• Wydawca: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
• Czasopismo: Central European Journal of Energetic Materials
• Rocznik: 2017
• Tom: Vol. 14, no. 2
• Strony: 269--280
• Opis fizyczny: Bibliogr. 23 poz., rys., tab.

Twórcy

autor

Luo J.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Liu Y.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Liu Y.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Wang J.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Chai T.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Yuan J.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Chang S.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Yu Y.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Jing S.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

autor

Ma H.

• School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China

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