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    Tytuł:
    Interaction between sphalerite and pyrite and its effect on surface oxidation of sphalerite
    Autorzy:
    Yang, B.
    Xie, X.
    Tong, X.
    Lan, Z.
    Cui, Y.
    Powiązania:
    https://bibliotekanauki.pl/articles/109553.pdf
    Data publikacji:
    2018
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    sphalerite
    surface oxidation
    minerals interaction
    DFT
    Opis:
    The interaction between sphalerite and pyrite was investigated by dissolution test, X-ray photoelectron spectroscopy (XPS), zeta potential measurement and density functional theory (DFT) calculation. Dissolution tests indicated that sphalerite dissolution was promoted due to the galvanic interaction between sphalerite and pyrite. The Zn2+ ion concentration increased with increasing pyrite content and dissolved time. XPS analysis results demonstrated that a new oxidation product was formed on the sphalerite surface in the presence of pyrite in a pulp. Zeta potential measurements showed that the isoelectric point of sphalerite increased from 3.3 to 5.4 due to galvanic interaction. DFT calculation results suggested that electron transfer from sphalerite to pyrite occurred when they contacted. The Zn 4s and S 3p states of sphalerite lost electrons. The Fe 4p and 4s of pyrite states obtained electrons, and Fe 3d and S 3s states lost a small number of electrons. The surface oxidation of sphalerite was promoted due to the interaction with pyrite, and the collectorless floatability of sphalerite decreased.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2018, 54, 2; 311-320
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    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
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