- Tytuł:
- 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 - Powiązania:
- https://bibliotekanauki.pl/articles/2175440.pdf
- Data publikacji:
- 2022
- Wydawca:
- Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
- Tematy:
-
smithsonite
sulfidization
DFTB+ hydrated
adsorption - Opis:
- 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, S2- weakens the adsorption of hydrated Ca2+ complexes due to competitive adsorption, but the presence of S2- 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.
- Źródło:
-
Physicochemical Problems of Mineral Processing; 2022, 58, 6; art. no. 156040
1643-1049
2084-4735 - Pojawia się w:
- Physicochemical Problems of Mineral Processing
- Dostawca treści:
- Biblioteka Nauki