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    Wyświetlanie 1-3 z 3
    Tytuł:
    Adsorption of lead ion on the hydrated rutile (110) surface: a DFT calculation study
    Autorzy:
    Zou, Heng
    Cao, Qinbo
    Chen, Xiumin
    Liu, Dianwen
    Powiązania:
    https://bibliotekanauki.pl/articles/109829.pdf
    Data publikacji:
    2019
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    rutile
    hydrated surface
    lead ion
    adsorption
    density functional theory
    Opis:
    The adsorption behavior of lead species on the hydrated rutile surface was investigated with inductively coupled plasma mass spectrometry (ICP-MS) measurements and density functional theory (DFT) calculations. ICP-MS experiments suggested that lead species can be readily absorbed by the rutile powder in water at pH 6.5. From the ICP-MS results and the species distribution of Pb2+, it was concluded that Pb2+ was the major lead species adsorbing at the rutile/water interface at the pH of 6.5. DFT calculation results indicated that Pb2+ could adsorb at four different sites on the surface. At each site, water molecules or OH groups were involved in the reaction with Pb2+. The water molecules/OH groups on the rutile surface play an important role during the adsorption of Pb2+ on the hydrated rutile surface.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2019, 55, 4; 951-959
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Binding features of N-hexadecanoylglycine on two terminations of fluorapatite (001) surface and their effect on fluorapatite flotation
    Autorzy:
    Zou, Heng
    Liu, Dianwen
    Cao, Qinbo
    Chen, Xiumin
    Powiązania:
    https://bibliotekanauki.pl/articles/1845208.pdf
    Data publikacji:
    2020
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    fluorapatite
    adsorption
    amino acid-based collector
    density functional theory
    Opis:
    N-hexadecanoylglycine (C16Gly) is a newly synthesized collector, which can be used as an efficient collector for fluorapatite (FA) rather than for dolomite. To extend our knowledge regarding the C16Gly collector, the contact angle method was employed to understand the flotation selectivity of C16Gly in the FA and dolomite system. On the other hand, the possible binding models of C16Gly anion on Ca-rich and PO4-rich terminations of FA (001) surface were investigated with density functional theory calculations to reveal the interaction between the C16Gly and the FA surface. Results showed that C16Gly anion could interact with these two terminations to generate 12 low-energy configurations, including bidentate, tridentate and chelating binding models. The C16Gly anion preferred to adsorb onto the Ca-rich termination, which is caused by the weaker electrostatic repulsion force between the C16Gly anion and the PO4 groups on this termination. The adsorption of C16Gly on these terminations was more stable than that on the dolomite (104) surface, which is one of the reasons for the preferential flotation of FA from dolomite using C16Gly as a collector. These findings provide further insights into the selectivity of C16Gly during the flotation of FA and dolomite.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2020, 56, 5; 949-959
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    New insights into pyrite-hydrogen peroxide interactions during froth flotation: experimental and DFT study
    Autorzy:
    Cao, Qinbo
    Yan, Wenchao
    Wen, Shuming
    Liu, Dianwen
    Li, Yanjun
    Powiązania:
    https://bibliotekanauki.pl/articles/2200334.pdf
    Data publikacji:
    2023
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    hydrogen peroxide
    oxidization
    pyrite flotation
    adsorption models
    DFT
    Opis:
    Hydrogen peroxide (H2O2) is an efficient depressant for pyrite (FeS2) flotation. However, the depressing mechanism of H2O2 is not fully understood. In this paper, the depressing capacity of H2O2 for pyrite was examined by flotation tests. Results revealed that pyrite flotation could be inhibited by H2O2 at pH 6.4. The pyrite powder in H2O2 solution enhanced the release of O2 from H2O2. However, the O2 concentration in the solution was less than that of H2O2; thus, H2O2 is the major oxidant in the solution. Moreover, density functional theory calculations were performed to study the interactions between H2O2 and hydrated pyrite (100) surface. The H2O2 molecule tended to react with the pyrite surface to generate one S=O bond and an H2O molecule. The possible binding models of O2 molecules on the pyrite (100) surface were also studied for comparison. The O2 dissociation on the pyrite surface was more favorable than the adsorption of O2 as a whole. In addition, the orbital interaction in the S=O bond raised from the reaction of H2O2/O2 with the pyrite surface was also investigated by the density states analysis. These results provide some insights into the oxidizing effect of H2O2 in pyrite flotation.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2023, 59, 1; art. no. 157409
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-3 z 3

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