期刊
MINERALS ENGINEERING
卷 154, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.mineng.2020.106405
关键词
Spin states; Electronic structures; Coordination field theory; Adsorption
资金
- National Natural Science Foundation of China (NSFC) [51764002, 51974094, 51874106, 51574092]
- Guangxi Natural Science Foundation [2017GXNSFAA198216, 2018 GXNSFAA281355]
- Major science and technology projects of Guangxi [AA19182021]
The electronic spin properties of Fe, Co and Ni metal ions in the octahedral field formed by S and O ligands were studied by density functional theory (DFT). It is found that in M-O octahedral field, the metal exhibits a high spin nature, whereas in M-S octahedral field, the metal exhibits a low spin nature. This suggests that O atom is a weak-field ligand and S atom is a strong-field ligand. It is found that M-O atoms are mainly ionicly bonded, whereas M-S atoms are mainly covalently bonded. This result is consistent with the M-O and M-S bonds in the real metal oxide and sulfide minerals. Hence, M-O and M-S coordination compound models can be used to simulate the crystals of the real oxide and sulfide minerals. Then the adsorption of O- and S-containing flotation collectors on these two mineral models was studied. It is indicated that S-containing collectors could not effectively collect oxide minerals, but O-containing collectors have strong collecting ability to oxide minerals. In addition, the collecting ability of S- and O-containing collectors to sulfide minerals is nearly the same. These are consistent with the flotation practice that O-containing collectors have no selective collecting capacity on oxide and sulfide minerals but S-containing collectors have strongly selectively collecting capacity to sulfide minerals.
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