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    Wyświetlanie 1-4 z 4
    Tytuł:
    Recent Advances in the Study of the Initiation of Nitramines by Impact Using Their 15N NMR Chemical Shifts
    Autorzy:
    Jungová, M.
    Zeman, S.
    Yan, Q.-L.
    Powiązania:
    https://bibliotekanauki.pl/articles/358278.pdf
    Data publikacji:
    2014
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    impact sensitivity
    initiation
    15N NMR chemical shifts
    Opis:
    The relationship between the 15N NMR chemical shifts of aza nitrogen atoms in twelve nitramines and the impact sensitivity of these compounds, expressed as the drop energy, Edr, has been analyzed from the point of view of recently published findings. This relationship appears to be the best method for identifying the key atoms at the reaction centre of a given molecule. These atoms might be taken as “chemical hot spots”. The absence of any solid state influence on the chemical shifts, which were here determined in solution, does not have a fundamental influence on the reaction centre identification. The relationship discussed here confirms the close molecular structural dependence for drop energies (impact sensitivities) obtained for individual energetic materials (EMs) by means of a standard impact tester (Julius Peters) with the detection of the 50% probability of initiation based on acoustic detection. The dependence of impact sensitivity on specific crystal surfaces, using samples of individual EMs obtained by screening, should be investigated more extensively.
    Źródło:
    Central European Journal of Energetic Materials; 2014, 11, 3; 383-393
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Accounts of the new aspects of nitromethane initiation reactivity
    Autorzy:
    Zeman, S.
    Atalar, T.
    Friedl, Z.
    Ju, X-H.
    Powiązania:
    https://bibliotekanauki.pl/articles/358898.pdf
    Data publikacji:
    2009
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    DFT B3LYP methods
    detonation
    initiation
    nitromethane
    Opis:
    A well-known effect of amines, and also of water, on detonation characteristics of nitromethane (NM) is discussed from the point of view of the published knowledge about the study of initiation reactivity of this nitro paraffin. It is documented that bimolecular and higher interactions during the initiation of NM are impossible. The most widespread concepts of the primary steps of this initiation, i.e. formation of aci-NM anion [CH2=NO2]— by intermolecular hydrogen transfer in the neat NM submitted to shock and formation of this anion by action of an amine, have been scrutinized by the DFT B3LYP/cc-pVTZ+ method and evaluated as thermodynamically disadvantageous. Also the 1,3-intramolecular hydrogen shift in the NM molecule was characterized as a higher-barrier process. Two favorable primary mechanisms of fission in the NM initiation and development of its detonation were investigated by DFT B3LYP/cc-pVTZ+ calculations: homolysis of C–NO2 bond in the neat NM and homolysis of N–OH bond in its aci-form. The second mentioned pathway was found to be thermodynamically the most preferable mechanism of fission. Consequently, a detonation wave of NM with admixture of amine or water has a considerably reduced reaction zone length in comparison with the detonation of neat NM. The B3LYP/6-311++G(d,p) calculations of transition states revealed that an admixture of methylamine and/or water influences the conversion of nitromethane to its aci-form, and this effect is more feasible in the case of methylamine rather than water.
    Źródło:
    Central European Journal of Energetic Materials; 2009, 6, 1; 119-133
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Recent advances in the study of the initiation of energetic materials rusing characteristics of their thermal decomposition. Part I, Cyclic nitramines
    Autorzy:
    Zeman, S.
    Yan, Q.-L.
    Vlček, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/358411.pdf
    Data publikacji:
    2014
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    arrhenius parameters
    detonation velocity
    explosives
    initiation
    manometric method
    nitramines
    Opis:
    Arrhenius parameters, Ea and log A, of 17 cyclic nitramines, derived from the Russian vacuum manometric method (SMM) and compatible thermoanalytical methods, have been used in this study. The detonation velocity, D, at maximum theoretical crystal density, of the nitramines in this study was taken as a characteristic of their detonation. On the basis of known relationships between their Ea and D2 values (modified Evans-Polanyi-Semenov equation), the specific influence of some physicochemical properties on their thermal decomposition was shown. A new logarithmic relationship was found between the rate constant k, of the unimolecular thermal decomposition of the nitramines studied at 230 °C, and their D values. A fundamental characteristic of this new relationship rests on the equivalency of the primary fission processes in the low-temperature thermal decomposition and on the detonation initiation of the nitramines under study. Both these relationships confirm the problems encountered in the kinetic specification of the thermal decomposition of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12hexaazaisowurtzitane (HNIW, CL-20) and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX). These problems, and also the possible influence of the pre-decomposition states on the thermal decomposition of the nitramines studied, are discussed.
    Źródło:
    Central European Journal of Energetic Materials; 2014, 11, 2; 173-189
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Recent Advances in the Study of the Initiation of Energetic Materials Using the Characteristics of Their Thermal Decomposition Part II. Using Simple Differential Thermal Analysis
    Autorzy:
    Zeman, S.
    Yan, Q.-L.
    Elbeih, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/358712.pdf
    Data publikacji:
    2014
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    activation energy
    detonation velocity
    DTA
    explosives
    initiation
    nitramines
    PBX
    thermal decomposition
    Opis:
    Simple Differential Thermal Analysis (DTA), with evaluation of its output by the Kissinger method, was used in the case of emulsion explosives and, as an advanced application, for several plastic bonded explosives (PBXs). In both of these kinds of explosive the square of their detonation velocities, D2, is used as their performance characteristic. A relationship between the slope of the Kissinger equation, EaT-1, and the D2 values makes it possible to formulate a possible mechanism for the initiation of emulsion explosives. Regarding PBXs, it would seem possible to postulate a change in the detonation chemistry of plastic bonded nitramines, depending on the pressure and temperature in the zone of the detonation wave, particularly in the case of CL-20 fillers. Binders with aromatic building units in their macromolecular structure seem to be less-favoured in terms of their thermal reactivity and performance than the final PBXs. These findings document the advantages of the above-mentioned application of simple DTA.
    Źródło:
    Central European Journal of Energetic Materials; 2014, 11, 3; 395-404
    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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