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    Wyświetlanie 1-4 z 4
    Tytuł:
    The Reinforcement of the TNT System by a Newly-designed GAP-based Polyurethane-Urea: a Molecular Simulation Investigation
    Autorzy:
    Qian, W.
    Shu, Y.
    Ma, Q.
    Li, H.
    Wang, S.
    Chen, X.
    Powiązania:
    https://bibliotekanauki.pl/articles/358512.pdf
    Data publikacji:
    2016
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    TNT
    GAP
    polyurethane-urea
    inter-molecular interaction
    mechanical properties
    Opis:
    A glycidyl azide (GAP)-based polyurethane-urea (PUU) modifier used in the 1,3,5-trinitrotoluene (TNT)-based composite explosive was investigated by molecular simulation. Inter-molecular interactions were investigated using quantum chemistry calculation on the dimer of TNT and GAP-PUU, and attractive forces were found between the two molecules. The cohesive energy densities and the solubility parameters were obtained through molecular dynamics simulations combined with thermodynamic calculations on the TNT and GAP-PUU amorphous cell models, and the miscibility of the modifier in molten TNT was predicted to be good. The interaction energies and the mechanical properties were then obtained by molecular simulations and mechanical calculations on the solid-phase models of the GAP-PUU with TNT along three crystalline directions, and an improvement in the mechanical properties was predicted.
    Źródło:
    Central European Journal of Energetic Materials; 2016, 13, 2; 411-426
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    A Facile Synthesis of 3,3'-Dinitro-5,5'-diamino-bi-1,2,4-triazole and a Study of Its Thermal Decomposition
    Autorzy:
    Ma, Q.
    Lu, H.
    Qu, Y.
    Liao, L.
    Li, J.
    Fan, G.
    Chen, Y.
    Powiązania:
    https://bibliotekanauki.pl/articles/358272.pdf
    Data publikacji:
    2017
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    3,3’-dinitro-5,5’-diamino-bi-1,2,4-triazole
    facile synthesis
    DSC-TG
    RSFTIR
    TG-IR
    thermolysis
    Opis:
    3,3’-Dinitro-5,5’-diamino-bi-1,2,4-triazole (DABNT) was synthesized by a facile method and its crystalline density was determined as 1.839 g·cm−3 at 293(2) K by X-ray diffraction. Its thermal decomposition kinetics and mechanism were studied by means of differential scanning calorimetry-thermogravimetry (DCS-TG), in situ thermolysis by rapid-scan Fourier transform infrared spectroscopy (RSFTIR) and simultaneous TG-IR technology. The results showed that the apparent activation energies obtained by the Kissinger, Ozawa and Starink methods were 122.9 kJ·mol−1, 123.2 kJ·mol−1 and 123.5 kJ·mol−1, respectively. The thermodynamic parameters of ΔS≠, ΔH≠ and ΔG≠ were −37.5 J·K−1·mol−1, 118.4 kJ·mol−1 and 138.7 kJ·mol−1, respectively. The decomposition reaction process of DABNT starts with the transformation from a primary amine to a secondary amine and then the loss of one nitro-group from the DABNT structure. Gaseous products, such as N2O and H2O, were detected from decomposition in the range of 50-300 °C. Density functional theory (DFT) calculations were further employed to illustrate the decomposition mechanism. The above-mentioned information on the synthesis and thermal behaviour is quite useful for the scale-up and evaluation of the thermal safety of DABNT.
    Źródło:
    Central European Journal of Energetic Materials; 2017, 14, 2; 281-295
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Kinetics of photoelectrocatalytic degradation of diclofenac using N, S co-doped TiO2 nano-crystallite decorated TiO2 nanotube arrays photoelectrode
    Autorzy:
    Cui, Y.
    Deng, X.
    Ma, Q.
    Zhang, H.
    Cheng, X.
    Li, X.
    Xie, M.
    Cheng, Q.
    Li, B.
    Powiązania:
    https://bibliotekanauki.pl/articles/207955.pdf
    Data publikacji:
    2018
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    effluents
    nanotubes
    sodium sulfate
    sulfur compounds
    yarn
    photoelectrocatalytic degradation
    ścieki
    nanorurki
    siarczan sodu
    związki siarki
    przędza
    Opis:
    As a non-steroidal anti-inflammatory drug, diclofenac, was commonly used as analgesic, antiarthritic and antirheumatic, and has frequently been detected in municipal wastewater treatment plants (MWTPs) effluents and demonstrated to be potentially environmental risk on human beings. In the present study, N, S co-doped TiO2 nano-crystallites decorated TiO2 nano-tube arrays (N, S-TiO2 NCs/TiO2 NTAs) photoelectrode was used to degrade diclofenac containing wastewater. In addition, the effects of some critical parameters including initial pH, external positive potential, sodium sulfate concentration and initial diclofenac concentration on the photoelectrocatalytic (PEC) degradation of diclofenac containing wastewater and dynamic characteristics were investigated systematically. Results showed that N, S-TiO2 NCs/TiO2 NTAs photoelectrode exhibited high PEC efficiency for the degradation of diclofenac, in which the PEC processes fitted well with the Langmuir–Hinshelwood (L–H) model. Furthermore, external additional anions such as Cl–, ClO– and NO3 – played an important role in inhibiting the degradation of diclofenac. Also, the N, S-TiO2 NCs/TiO2 NTAs photoelectrode possessed good stability for consecutive applications for degradation of diclofenac, which could potentially be utilized in wastewater treatment.
    Źródło:
    Environment Protection Engineering; 2018, 44, 2; 117-130
    0324-8828
    Pojawia się w:
    Environment Protection Engineering
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Microstructure, Mechanical and Detonation Properties of Elastomeric Micro/Ultrafine-rubber Modified TNT-based Molten Energetic Composites
    Autorzy:
    Ma, Q.
    Wang, P.-S.
    Luo, G.
    Wen, M.-P.
    Gao, D.-Y.
    Zheng, B.-H.
    Shu, Y.-J.
    Powiązania:
    https://bibliotekanauki.pl/articles/358122.pdf
    Data publikacji:
    2015
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    micro and ultrafine rubber
    2,4,6-trinitrotoluene
    molten energetic composites
    mechanical properties
    detonation performance
    Opis:
    Elastomeric micro- and ultrafine-rubber are first considered as binders in melt-cast explosives for improving the mechanical properties. Acrylonitrile-butadiene rubber (NBR), in ultrafine fully vulcanized form (UF-NBR), carboxylated acrylonitrile-butadiene rubber (CNBR), in ultrafine fully vulcanized form (UF-CNBR), styrene-butadiene rubber (SBR), in ultrafine fully vulcanized form (UF-SBR), carboxylated styrene-butadiene rubber (CSBR), in ultrafine fully vulcanized form (UF-CSBR), acrylic rubber (ACM), in ultrafine fully vulcanized form (UF-ACM), room temperature vulcanized silicone rubber (RTV), in ultrafine fully vulcanized form (UF-RTV) and polytetrafluoroethene (PTFE) in micro-rubber form (PTFE-M) were utilized for modifying 2,4,6-trinitrotoluene (TNT) based melt-cast explosives. Based on their dispersity in TNT and RDX slurry, only UF-NBR, UF-CNBR and PTFE-M can be used. In the modification experiment, their influence on the mechanical and detonation performance of the matrixes were studied, as well as the impact sensitivity. Compared with PTFE-M and UF-CNBR, UF-NBR improved the tensile and compressive strength of the original formulation CYCLOTOL-65/35. The toughening mechanism was also explained through interfacial interactions and fracture energy analysis. The predicted detonation properties of the modified formulations (detonation pressure variations from 26 to 28 GPa, detonation velocity variations from 7900 to 8100 m/s) are at the same energy level as CYCLOTOL-65/35. In addition, the drop hammer impact testing results confirm that the formulation containing UF-NBR is more sensitive than the one with UF-CNBR, with the same amount of additive.
    Źródło:
    Central European Journal of Energetic Materials; 2015, 12, 4; 723-743
    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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