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    Wyświetlanie 1-3 z 3
    Tytuł:
    Toluene Mono-nitration in a Semi-batch Reactor
    Autorzy:
    Chen, L. P.
    Chen, W. P.
    Liu, Y.
    Peng, J. H.
    Liu, R. H.
    Powiązania:
    https://bibliotekanauki.pl/articles/358853.pdf
    Data publikacji:
    2008
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    toluene mono-nitration
    apparent activation energy
    semi-batch reaction
    thermal hazard
    Opis:
    Toluene mono-nitration in a semi-batch reactor was investigated with reaction calorimeter (RC1). The mixed acid HNO3/H2SO4/H2O (wt%) was used in proportion 13/66/21, which is similar to industrial parameters. The exothermic rates at different reaction temperatures were compared, and then the curves of heat generation rate after dosing were analyzed. The Maximal Temperature attainable by runaway of the desired Synthetic Reaction (MTSR) under different conditions were calculated for the course hazard evaluation. The results showed that the average reaction heat of mono-nitration was between 169.07~177.11 kJ mol-1, and the special heat of reactant was about 2 kJ kg-1 K-1. Average Ea of second order kinetic was about 30 kJ mol-1, and reaction rate was 10-4 mol s-1 l-1 order of magnitude when the strength of sulphuric acid was about 73.5%. It was also found that when temperature or stirring speed increases, the potential heat accumulation decreases.
    Źródło:
    Central European Journal of Energetic Materials; 2008, 5, 2; 37-47
    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
    Tytuł:
    Unravelling the Effect of Anthraquinone Metal Salts as Wide-range Plateau Catalysts to Enhance the Combustion Properties of Solid Propellants
    Autorzy:
    Wang, Y.
    Yan, Q.-L.
    An, T.
    Chen, B.
    Ji, Y.-P.
    Wang, W.
    Zhao, F.
    Powiązania:
    https://bibliotekanauki.pl/articles/358042.pdf
    Data publikacji:
    2018
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    solid propellants
    burning rate catalysts
    anthraquinone metal salts
    wide-range plateau combustion
    Opis:
    Novel lead and copper salts based on anthraquinone, including 1,8-dihydroxyanthraquinone,1,4,5,8-tetrahydroxyanthraquinone and 1,8-dihydroxy-4,5-dinitroanthraquinone, were prepared and characterized by Fourier transform infrared spectroscopy (FTIR), elemental analysis (EA), and X-ray fluorescence (XRF). The catalytic effects of these compounds on the decomposition of nitrocellulose (NC) and on the combustion properties of double-base (DB) and composite modified double-base (CMDB) propellants were comprehensively investigated. The results demonstrated that the burning rate is significantly increased (by 200%) in the lower pressure range (2-6 MPa) as compared to the control systems without added anthraquinone-based salts. Concurrently, the pressure exponents (n) were obviously lower, exhibiting a “wide-range plateau” combustion phenomenon in the middle-pressure region. Specifically, for the DB propellants such a plateau region extended from 10 MPa to 16 MPa for n equal to 0.10, from 10 MPa to 18 MPa for n equal to 0.11 and from 8 MPa to 18 MPa when n is 0.05. In the case of RDX-CMDB propellants, the plateau was found to be in the range 6-18 MPa, with n in the range 0.16-0.27, depending on the type of catalyst, in contrast to the reference CMDB sample, which was characterized by n equal to 0.7 for the same pressure range.
    Źródło:
    Central European Journal of Energetic Materials; 2018, 15, 2; 376-390
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-3 z 3

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