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    Wyświetlanie 1-4 z 4
    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:
    Interaction of sulfuric acid with dolomite (104) surface and its impact on the adsorption of oleate anion: a DFT study
    Autorzy:
    Cao, Qinbo
    Zou, Heng
    Chen, Xiumin
    Yu, Xingcai
    Powiązania:
    https://bibliotekanauki.pl/articles/1449558.pdf
    Data publikacji:
    2020
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    dolomite
    adsorption
    oleate
    depressor
    density functional theory
    Opis:
    Sulfuric acid $(H_2SO_4)$ is a specific depressor for apatite rather than for dolomite. The $H_2SO_4$ treated dolomite can still be floated effectively by oleate. However, the role of $H_2SO_4$ in the adsorption of oleate onto dolomite surface remains unclear. In this work, density functional theory calculations were conducted to probe the interactions among sulfate anion ($SO_4^{2−}$), oleate anion and the dolomite surface. The adsorption behaviors of $SO_4^{2−}$ anion onto the perfect and $CO_3$-defect dolomite surfaces were compared. Such results show that $SO_4^{2−}$ anion could only adsorb onto the defective dolomite surface, where it bonded with a $Ca$ atom. The remaining $Ca$ and $Mg$ atoms at the defect site could further react with the oleate anion, generating new $Ca$/$Mg–O$ ionic bond. In this regard, oleate and $SO_4^{2−}$ anions may both present on the dolomite surface. This phenomenon accounts for the flotation of $H_2SO_{4-}$treated dolomite.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2020, 56, 1; 34-42
    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:
    Insights into the interaction between octyl hydroxamic acid and the rutile surface activated by lead ion
    Autorzy:
    Cao, Qinbo
    Chen, Xiumin
    Zou, Heng
    Yu, Xingcai
    Powiązania:
    https://bibliotekanauki.pl/articles/1845214.pdf
    Data publikacji:
    2020
    Wydawca:
    Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
    Tematy:
    flotation
    rutile
    activation
    density functional theory
    adsorption
    Opis:
    The flotation of rutile can be enhanced using lead ion as an activator. However, the binding behavior of collector on the activated rutile surface is still not fully understood. In this work, flotation and theoretical calculation approaches were employed to evaluate the activation behavior of lead ion in the flotation of rutile with octyl hydroxamic acid (OHA). Flotation results indicated that the activation flotation with lead ion should be conducted at pH 6.5. The binding features of OHA molecule on the inactivated and Pb-activated rutile surfaces were both investigated by density functional theory (DFT) studies. The OHA molecule may dissociate into OHA− anion on the inactivated rutile surface, generating a new Ti–O bond. Differently, the chelate complex of Pb-OHA anion was generated on the activated rutile surface, producing two Pb–O bonds. The adsorption of OHA onto the activated rutile surface was more stable than that on the inactivated rutile surface, due to the formation of more chemical bonds on the activated rutile surface. The DFT calculation results delineated the role of Pb2+ in the rutile flotation with OHA.
    Źródło:
    Physicochemical Problems of Mineral Processing; 2020, 56, 5; 928-938
    1643-1049
    2084-4735
    Pojawia się w:
    Physicochemical Problems of Mineral Processing
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-4 z 4

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