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    Wyświetlanie 1-4 z 4
    Tytuł:
    Non-isothermal Decomposition Kinetics of 1-Amino-1,2,3-triazolium Nitrate
    Autorzy:
    Du, X.-J.
    Zou, M.-S.
    Li, X.-D.
    Yang, R.-J.
    Powiązania:
    https://bibliotekanauki.pl/articles/358020.pdf
    Data publikacji:
    2014
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    1-amino-1,2,3-triazolium nitrate
    thermal decomposition
    TG
    non-isothermal kinetics
    compensating effect
    Opis:
    The thermal decomposition kinetics of 1-amino-1,2,3-triazolium nitrate (ATZ-NO3) was investigated by non-isothermal TG-DTG at various heating rates (2, 5, 10, 15, and 20 °C∙min-1). The results showed that the thermal decomposition of ATZ-NO3 consists of two mass-loss stages. The first mass-loss stage corresponds to the loss of nitrate anion and the substituent group, while the second stage corresponds to the splitting of the triazole ring. The kinetic triplets of the two stages were described by a three-step method. Firstly, the Kissinger and Ozawa methods were used to calculate the apparent activation energies (E) and pre-exponential factors (A) of the two decomposition stages. Secondly, two calculation methods (the Šatava-Šesták and Achar methods) were used to obtain several probable decomposition mechanism functions. Thirdly, three assessment methods (the Šatava, double-extrapolation, and the Popescu methods) were used to confirm the most probable decomposition mechanism functions. The reaction models for both stages are random-into-nuclear and random-growth mechanisms, with n = 3/2 for the first stage and n = 1/3, m = 3 for the second stage. The kinetic equations for the two decomposition stages of ATZ-NO3 may be expressed as [wzór]. Mathematical expressions for the kinetic compensation effect were derived.
    Źródło:
    Central European Journal of Energetic Materials; 2014, 11, 1; 99-114
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Synthesis, Characterization and Compatibility Studies of Poly(DFAMO/NIMMO) with Propellant and PBX Ingredients
    Autorzy:
    Li, H.
    Yang, Y.
    Pan, J.
    Wang, W.
    Pan, R.
    Zhu, W.
    Powiązania:
    https://bibliotekanauki.pl/articles/358094.pdf
    Data publikacji:
    2018
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    energetic binder
    synthesis
    characterization
    compatibility
    PDN
    Opis:
    Oxetane-based polymers substituted with difluoroamino groups can be used as energetic binders in propellants and polymer-bonded explosives (PBXs). As a novel candidate, poly(3-difluoroaminomethyl-3-methyloxetane/3-nitratomethyl-3-methyloxetane) (PDN) was synthesized and its structure was established. Thermogravimetry (TG) and differential scanning calorimetry (DSC) were employed to investigate its thermal decomposition behaviour. The compatibility between PDN and some common ingredients of propellants and PBXs was evaluated by the DSC method. PDN with good thermal stability was synthesized via a cationic solution polymerization process. Additionally, it has improved compatibility with cyclotetramethylenetetranitramine (HMX), carbon black (C.B.) and lead carbonate (PbCO3) compared with homopoly(3-difluoroaminomethyl-3-methyloxetane) (PDFAMO). PDN could be used as a promising difluoroamino energetic binder in the future.
    Źródło:
    Central European Journal of Energetic Materials; 2018, 15, 1; 85-99
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Predicted Crystal Structures, Analysis, Impact Sensitivities and Morphology of Solid High-Energy Complexes: Alkaline-Earth Carbohydrazide Perchlorates
    Autorzy:
    Liu, Y.
    Zhang, R.
    Feng, C.-G.
    Yang, L.
    Zhang, T.-L.
    Powiązania:
    https://bibliotekanauki.pl/articles/358890.pdf
    Data publikacji:
    2015
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    crystal structure
    density of state
    thermodynamic property
    impact sensitivity
    crystal morphology
    Opis:
    The crystal structures, density of states, energy gap, thermodynamic properties, impact sensitivities and morphology of beryllium carbohydrazide perchlorate ([Be(CHZ)3](ClO4)2), magnesium carbohydrazide perchlorate ([Mg(CHZ)3](ClO4)2), calcium carbohydrazide perchlorate ([Ca(CHZ)3] (ClO4)2), strontium carbohydrazide perchlorate ([Sr(CHZ)3](ClO4)2) and barium carbohydrazide perchlorate ([Ba(CHZ)3](ClO4)2) were investigated using the density functional theory (DFT) and crystal morphology theory. The results show that all of the complexes have six-coordinated distorted octahedra, which is different from previous works. This was rationalised by consideration of the intermolecular interactions in the crystal structures. Hence the crystal structure is now more reliable. The chemical reactions of the whole molecule may be triggered by an electron transition of CHZ or ClO4 −. Furthermore the energy gaps were observed, and the values of the impact sensitivities were inferred to have the following sequence: [Be(CHZ)3](ClO4)2 > [Mg(CHZ)3](ClO4)2 > [Sr(CHZ)3](ClO4)2 > [Ca(CHZ)3](ClO4)2 > [Ba(CHZ)3](ClO4)2. In addition, the thermodynamic equations at 25-1000 K were obtained. The positive values of the standard molar free enthalpies shows that carbohydrazide perchlorates are stable at 298.15 K. The (1 0 -1) and (0 0 2) faces are the most important growth directions of the crystal morphologies, and have the minimum growth rates. From the cleaved main growth faces, it can be deduced that surface active agents with active hydrogen atoms in the functional groups could be used as crystal-control reagents to control the crystal morphology for alkaline-earth carbohydrazide perchlorates.
    Źródło:
    Central European Journal of Energetic Materials; 2015, 12, 2; 229-248
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Synthesis, Crystal Structure, and Properties of a Novel, Highly Sensitive Energetic, Coordination Compound: Iron (II) Carbohydrazide Perchlorate
    Autorzy:
    Liu, R.
    Zhou, Z.
    Qi, S.
    Yang, L.
    Wu, B.
    Huang, H.
    Zhang, T.
    Powiązania:
    https://bibliotekanauki.pl/articles/358343.pdf
    Data publikacji:
    2013
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    iron (II) carbohydrazide perchlorate
    energetic material
    high
    sensitivity
    DFT
    energy gap
    Opis:
    A single crystal of iron (II) carbohydrazide perchlorate [FeII (CHZ)3](ClO4)2 (FeCP), a novel, lead-free, energetic coordination compound, was synthesized and its structure determined by X-ray single crystal diffraction for the frst time. The crystal belongs to the monoclinic system P2(1)/n space group, with a = 1.0066(2) nm, b = 0.8458(2) nm, c = 2.1194(4) nm, β = 100.693(3)° and Z = 4. The central Fe(II) ion is coordinated to three bidentate carbohydrazide units through the carbonyl oxygen atom and an amino nitrogen atom, forming a six-coordinated, non-centrosymmetric complex cation. The thermal analyses by differential scanning calorimetry and thermogravimetry show that the onset temperature of thermal decomposition (152.7 °C) and the critical temperature of thermal explosion of FeCP (161.2 °C) are both much lower than those of other transition metal carbohydrazide perchlorate compounds, and also those of some other primary explosives in service. FeCP has a high enthalpy of combustion, as measured by oxygen bomb calorimetry. The impact, friction and fame sensitivity tests indicate that FeCP is extremely sensitive and hazardous. Unexpected explosions occurred even during the operational processes. In order to explore the intrinsic cause of these explosions, theoretical calculations of the orbital energies were performed based on DTF. These results reveal that the impact sensitivity is positively correlated with the energy gap between HOMO and LUMO: the smaller energy gap results in the higher impact sensitivity.
    Źródło:
    Central European Journal of Energetic Materials; 2013, 10, 1; 17-36
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-4 z 4

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