Autor: Lin, P. - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: 4-Amino-3-hydrazino-1,2,4-triazole: a Precursor for the Preparation of Divalent Energetic Materials
Autorzy:: Lin, Q.
Wang, P.
Sun, Q.
Lu, M.
Powiązania:: https://bibliotekanauki.pl/articles/951501.pdf
Data publikacji:: 2018
Wydawca:: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:: energetic materials
detonation performance
nitrogen heterocycle
Opis:: 4-Amino-3-hydrazino-1,2,4-triazole (AHT) was developed as a divalent cation. The multivalent structure can be used to increase the number of nitrogen-rich heterocycles, thereby increasing the heat of formation and improving the detonation performance. Herein we report on a family of divalent energetic salts, which exhibit excellent properties, viz. acceptable density, good detonation performance, and desirable thermal and impact stabilities. The structural features of the salts were further determined by single-crystal X-ray diffraction. In addition, the detonation properties calculated for these energetic salts identified them as competitively energetic compounds.
Źródło:: Central European Journal of Energetic Materials; 2018, 15, 1; 18-29
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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