Autor: Zhu, Z.X. - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: Synthesis and Characterization of Metal Derivatives of 1,1,2,2-Tetranitraminoethane (TNAE)
Autorzy:: Zhu, C.
Meng, Z.
Xu, Z.
Liu, W.
Liu, Y.
Shi, X.
Xie, T.
Powiązania:: https://bibliotekanauki.pl/articles/358571.pdf
Data publikacji:: 2018
Wydawca:: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:: Ionic compound
1,1,2,2-tetranitraminoethane
thermal property
safety performance
thermal decomposition kinetics
Opis:: The introduction of anions and cations into energetic materials can significantly improve their physicochemical and energetic properties. The K, Zn, Ba, Cu and Pb salts of 1,1,2,2-tetranitraminoethane (TNAE) were synthesized using TNAE as the starting material, and were characterized by IR spectroscopy, NMR spectroscopy and elemental analysis. All of the energetic salts exhibited relatively high thermal stabilities (decomposition temperatures ranging from 195.1 °C to 279.3 °C) and high densities (ranging from 2.1 g·cm–3 to 3.7 g·cm–3). It was demonstrated that the introduction of metal ions conveys better thermal stability than covalent TNAE itself. More importantly, the Zn, Ba and Cu salts exhibited good thermal stability, high density, low sensitivity, and therefore have the potential to be a new class of insensitive, highly energetic explosives for practical applications.
Źródło:: Central European Journal of Energetic Materials; 2018, 15, 3; 435-444
1733-7178
Pojawia się w:: Central European Journal of Energetic Materials
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 2.

Tytuł:: Dft investigation of a high energy density polynitro compound, 2,2’-Bis(trinitromethyl)-5,5’-azo-1,2,3,4- tetrazole
Autorzy:: Lin, H.
Zhu, S. G.
Chen, P. Y.
Li, K.
Li, H. Z.
Peng, X. H.
Powiązania:: https://bibliotekanauki.pl/articles/358030.pdf
Data publikacji:: 2013
Wydawca:: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:: polynitro
electronic structure
thermodynamic properties
crystal structure
detonation performance
stability
Opis:: A novel polynitro compound, 2,2’-bis(trinitromethyl)-5,5’-azo- 1,2,3,4-tetrazole, was designed and investigated at the DFT-B3LYP/6-31G(d) level. Its properties, such as electronic structure, IR spectrum, heat of formation, thermodynamic properties and crystal structure, were predicted. This compound is most likely to crystallize in the P21 space group, and the corresponding cell parameters are Z = 2, a = 5.46 Å, b = 9.72 Å, c = 14.05 Å, α = 90°, β = 90°, γ = 90°. In addition, the detonation velocity and pressure were also estimated by using the empirical Kamlet-Jacobs equations, and were predicted to be 8.28 km/s and 31.61 GPa respectively. The oxygen balance of this compound is +13.79%, which indicates that it could serve as an oxidizer. Bond dissociation energy calculations show that the C(13)-N(21)O2 and C(14)-N(30)O2 bonds are the locations of thermal decomposition and that this compounds meets the thermal stability requirements as an exploitable explosive. Keywords: polynitro, electronic structure, thermodynamic properties, crystal structure, detonation performance, stability.
Źródło:: Central European Journal of Energetic Materials; 2013, 10, 3; 325-338
1733-7178
Pojawia się w:: Central European Journal of Energetic Materials
Dostawca treści:: Biblioteka Nauki

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