JIANG Mao1,2,3, ZHANG Qin1,2,3, LI Long-Jiang1,2,3
(1. Mining College of Guizhou University, Guiyang 550025, China;
2. Guizhou Key Laboratory of Comprehensive Utilization of Non-metallic Mineral Resources, Guiyang 550025, China;
3. Guizhou Engineering Laboratory of Mineral Resources, Guiyang 550025, China)
Abstract: The electronic structures and the floatability of pyrite containing Co, Ni, Cu Au, Pb and Zn as natural impurities are investigated using functional density theory and the Mulliken Layout. Results indicate that when Au, Co, Cu, Ni, Zn and Pb impurities are introduced energy levels contributed from impurity d orbital cause overall density of states (DOS) of pyrite to a lower energy level. The presence of Cu, Co, Zn or Au can increase the charge of the iron atoms and strengthen anionic collectors’ adsorption. In addition, by frontier orbital calculation, it is suggested that the |ΔE| between xanthate molecules and pyrite decrease due to the effect of 5 impurities except for Pb, which can increase the interaction between pyrite and xanthate molecules. These are in agreement with the observed pyrite practice.
Key words: pyrite; electronic structures; impurities; floatability
E-mail: zq6736@163.com
ACTA MINERALOGICA SINICA Vol. 34, No. 4, 2014, Page 528-534
