期刊
MINERALS ENGINEERING
卷 169, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.mineng.2021.106980
关键词
Tetrahedrite; Density functional theory; Electronic structure; Natural; Impurity; Flotation property
资金
- National Natural Science Foundation of China [51504293]
- Qinghai Provincial Major Scientific and Technological Special Project of China [2018-GX-A7]
- Hunan Provincial Natural Science Foundation of China [2018JJ4038]
- National Key Research and Development Program of China [2018YFC1902006]
- Fundamental Research Funds for the Central Universities of Central South University [150110003]
The electronic structure and flotation properties of tetrahedrite were systematically studied in relation to four typical natural impurities using density functional theory. It was found that iron impurity increases the difficulty of tetrahedrite's separation from other sulfides, while zinc, arsenic, and silver impurities have varying effects on the flotation properties of tetrahedrite.
The electronic structure of tetrahedrite and effect of four typical natural impurities including zinc, arsenic, iron and silver on its flotation property were systematically studied through density functional theory. The band structure and surface energy calculation show that tetrahedrite is a p-type semiconductor and has no cleavage plane. The frontier orbital energy analysis indicates that compared with chalcopyrite, the flotation separation of tetrahedrite from commonly associated galena, sphalerite and pyrite is more difficult. The Hirshfeld population analysis shows that in comparison with tetrahedrite, chalcopyrite and pyrite, galena and sphalerite have stronger electrostatic attraction to flotation agents, and galena has an obviously better natural floatability than the four other sulfides. The band structure and frontier orbital energy analyses for impurity-bearing tetrahedrites show that they are all p-type semiconductors with better electrical conductivity than pure tetrahedrite, and iron impurity increases the difficulty of tetrahedrite's flotation separation from galena, sphalerite and pyrite. The Hirshfeld population analysis manifests that zinc and silver impurities enhance tetrahedrite's electrostatic attraction to flotation reagents while arsenic and iron work in the opposite. Moreover, silver impurity lowers tetrahedrite's natural floatability while zinc, arsenic and iron have no obvious effects.
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