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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:
    Synthesis, Characterization and Thermal Decomposition of a New Energetic Salt of 1H,1′H-5,5′-Bistetrazole-1,1′-diol
    Autorzy:
    Xiao, L.
    Jin, B.
    Shang, Y.
    Liu, Q.
    Guo, Z.
    Peng, R.
    Powiązania:
    https://bibliotekanauki.pl/articles/358377.pdf
    Data publikacji:
    2018
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    1,1-dimethylbiguanidium 1H,1′H-5,5′-bistetrazole-1,1′-diolate (MGBTO)
    single crystal
    thermal properties
    energetic properties
    Opis:
    1,1-Dimethylbiguanidium 1H,1′H-5,5′-bistetrazole-1,1′-diolate (MGBTO), a novel nitrogen-rich energetic salt, was synthesized by cation exchange. Its structure was characterized by elemental analysis, FTIR, NMR, DTA and TG-DTG. Single crystal X-ray diffraction analysis revealed that MGBTO was crystallized in the monoclinic space group C2/c. Thermal analysis demonstrated that its thermal stability extended up to 531.1 K. The nonisothermal kinetic and apparent thermodynamic parameters of the exothermic decomposition of MGBTO were determined by the Kissinger and Ozawa methods. Its detonation velocity and detonation pressure were calculated on the basis of the Kamlet-Jacobs equation and were 6342 m·s–1 and 15.78 GPa, respectively. The impact and friction sensitivities of MGBTO were quantified using standard BAM (10 kg drop hammer) procedures. The results revealed that the salt has good mechanical sensitivity (FS > 120 N, IS > 40 J), thus indicating its potential applications as an energetic material.
    Źródło:
    Central European Journal of Energetic Materials; 2018, 15, 3; 405-419
    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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