Influence of hydrated Ca²⁺ and Mg²⁺ complexes on the sulfidization of smithsonite : density functional based tight binding (DFTB+) study

• Autorzy: Wu Zhiqiang , Tang Xiaoqin , Chen Jianhua , Chen Ye

Identyfikatory

DOI

10.37190/ppmp/156040

• Języki publikacji: EN

Abstrakty

EN

Ca²⁺ and Mg²⁺ are the most dominating unavoidable ions in the smithsonite flotation. In this paper, the effect of Ca²⁺ (Mg²⁺) on the surface of smithsonite sulfidization in a system where water molecules are present was investigated using density functional based tight binding (DFTB+) simulations for the first time. The results indicated that the adsorption of hydrated Ca²⁺ complexes is stronger than that of hydrated Mg²⁺ complexes on the hydrated smithsonite (101) surface. In addition, at low concentrations of sodium sulfide, there is no adsorption of HS- on the surface pre-adsorbed with hydrated Ca²⁺ complexes, but only on the surface pre-adsorbed with hydrated Mg²⁺ complexes. At high concentrations of Na₂S, S^2- weakens the adsorption of hydrated Ca²⁺ complexes due to competitive adsorption, but the presence of S^2- could desorb hydrated Mg²⁺ complexes from the surface. The results compared the differences in effects of Ca²⁺ and Mg²⁺ on smithsonite sulfidization, which could provide an atomic scale basis for researching the surface sulfidization of oxide minerals.

Słowa kluczowe

EN

smithsonite; sulfidization; DFTB+ hydrated; adsorption

• Wydawca: Oficyna Wydawnicza Politechniki Wrocławskiej
• Czasopismo: Physicochemical Problems of Mineral Processing
• Rocznik: 2022
• Tom: Vol. 58, iss. 6
• Strony: art. no. 156040
• Opis fizyczny: Bibliogr. 52 poz., rys.

Twórcy

autor

Wu Zhiqiang

• School of Resources, Environment and Materials, Guangxi University, Nanning, 530004, China

autor

Tang Xiaoqin

• School of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, China

autor

Chen Jianhua

• School of Resources, Environment and Materials, Guangxi University, Nanning, 530004, China
• Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials, Guangxi University, Nanning, 530004, China

autor

Chen Ye

• School of Resources, Environment and Materials, Guangxi University, Nanning, 530004, China
• Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials, Guangxi University, Nanning, 530004, China

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Uwagi

Opracowanie rekordu ze środków MEiN, umowa nr SONP/SP/546092/2022 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2022-2023).