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    Wyświetlanie 1-5 z 5
    Tytuł:
    Theoretical Study on Nitroimine Derivatives of Azetidine as High-Energy-Density Compounds
    Autorzy:
    Li, Bu-tong
    Li, Lu-lin
    Powiązania:
    https://bibliotekanauki.pl/articles/358762.pdf
    Data publikacji:
    2020
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    high-energy-density compounds
    Kamlet-Jacobs equations
    azetidin derivatives
    Opis:
    A series of derivatives of azetidine were designed by stepwise replacing the hydrogen atoms of azetidine with nitroimine groups. At the G3MP2 level, the heats of formation (HOFs), bond dissociation energies (BDEs), molecular densities (ρ0), detonation velocities (D), and detonation pressures (P) of the nitroimine-substituted azetidines were investigated to look for high-energy-density compounds (HEDCs). It was found that the nitroimine-substituted azetidines have high HOFs and large BDEs, and sufficient thermal and kinetic stability. Furthermore, the covalent bond strength in the four-membered ring, accompanied by intramolecular hydrogen bonds, are the determining factors for isomer stability. Based on our calculations, derivatives E and F have better detonation performance than RDX and can be regarded as potential high-energy-density compounds. This work may provide basic information for further study of the title compounds.
    Źródło:
    Central European Journal of Energetic Materials; 2020, 17, 1; 107-118
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Compatibility Study of 2,6-Diamino-3,5-dinitropyridine-1-oxide with Some Energetic Materials
    Autorzy:
    Li, X.
    Wang, B.-L,
    Lin, Q.-H.
    Powiązania:
    https://bibliotekanauki.pl/articles/358871.pdf
    Data publikacji:
    2016
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    compatibility
    energetic materials
    ANPyO
    Opis:
    For the application of 2,6-diamino-3,5-dinitropyridine-1-oxide (ANPyO) in composite explosives, the compatibility of ANPyO with some energetic materials was studied by the use of differential scanning calorimetry (DSC), where the energetic materials were cyclotrimethylenetrinitramine (RDX), cyclotetramethylenetetranitramine (HMX), 3,4-dinitrofurazanfuroxan (DNTF), hexanitrohexazaisowurtzitane (CL-20), 2,4,6-trinitrotoluene (TNT), 2,4,6-triamino-1,3,5-trinitrobenzene (TATB), 3-nitro-1,2,4-triazol-5-one (NTO), 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105), 5-amino-1H-tetrazole nitrate (5-ATEZN), ammonium perchlorate (AP), potassium perchlorate (KP), aluminum powder (Al), boron powder (B), magnesium hydride (MgH2) and magnesium borohydride (Mg(BH4)2). The results showed that the binary systems of ANPyO/CL-20, ANPyO/NTO, ANPyO/5-ATEZN, ANPyO/Al, ANPyO/B, ANPyO/MgH2 and ANPyO/Mg(BH4)2 are compatible, and that the systems of ANPyO with RDX, LLM-105, HMX, AP and KP are sensitive, and with DNTF, TNT and TATB are incompatible.
    Źródło:
    Central European Journal of Energetic Materials; 2016, 13, 4; 978-988
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Measurement of the Heat of Reaction of Polytetrafluoroethylene/Aluminum Composites Based on Laser Initiation
    Autorzy:
    Li, S.
    Wu, Y.
    Lin, Q.
    Huang, C.
    Yang, S.
    Li, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/358195.pdf
    Data publikacji:
    2017
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    reactive materials
    PTFE/Al composites
    heat of reaction
    laser initiation
    Opis:
    Polytetrafluoroethylene/aluminum (PTFE/Al) composites are reactive materials which can release energy due to exothermic chemical reactions initiated under shock loading conditions. In order to accurately measure the potential maximum heat of reaction of PTFE/Al composites in an inert atmosphere, we propose in this paper a heat of reaction measurement system based on laser initiation. Our results show that the measurement system successfully initiates the chemical reaction between PTFE and Al in an argon atmosphere. The comparison between theoretical calculations and experimental data demonstrates that our measurement method is highly accurate and exhibits excellent consistency. Thus, the heat of reaction measurement system based on laser initiation is applicable for measuring the heat of reaction of PTFE/Al composites and also other complicated reactive materials.
    Źródło:
    Central European Journal of Energetic Materials; 2017, 14, 3; 534-546
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Effects of Metal Oxides on the Thermal Decomposition Kinetics and Mechanisms of HAN/PVA Based Propellants
    Autorzy:
    Hu, Song-qi
    Liu, Xue-li
    Liu, Lin-Lin
    Kang, Bo
    Zhang, Yan
    Powiązania:
    https://bibliotekanauki.pl/articles/27787991.pdf
    Data publikacji:
    2021
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    HAN/PVA-based propellant
    metal oxides
    catalytic behaviour
    kinetic parameters
    Opis:
    The thermal decomposition processes of HAN/PVA-based propellants have been investigated using a simultaneous thermogravimetric analysis (TGA) – differential scanning calorimetry (DSC), coupled with Fourier-Transform Infrared Spectroscopy (FTIR) and Mass Spectrometry (MS) system. The activation energy (Ea), pre-exponential factor A and reaction mechanism function f(α) of the decomposition processes have been determined by non-isothermal and Malek methods. The results showed that the decomposition process of an HAN/PVA sample occurs mainly in the temperature range 202.2~220.1 °C, with a mass loss, heat release and Ea of about 84.8%, 1474.18 and 88.76 kJ·mol–1, respectively. Of the seven metal oxides studied as catalysts, Al2O3, V2O5 and Fe2O3 have significant catalytic effects on an HAN/PVA-based propellant, in lowering the decomposition temperature, with Ea changing from 88.8 to 83.7, 85.6 and 113.6 kJ·mol–1, respectively. The f(α) of both HAN/PVA and HAN/PVA/Al2O3 samples can be expressed as f(α) = (1 – α)2, whereas f(α) = α or f(α) = α/2 fit well for the HAN/PVA/V2O5 and HAN/PVA/Fe2O3 samples.
    Źródło:
    Central European Journal of Energetic Materials; 2021, 18, 3; 322-338
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    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
    Artykuł
      Wyświetlanie 1-5 z 5

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