Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination Chemistry
In this paper, the adsorption of cyanide and its combination with zinc sulfate on the surface of sphalerite (110) was studied by density functional theory (DFT), and its configurational relationship was analyzed by coordination chemistry. The calculation results show that the adsorption configuratio...
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MDPI AG
2022-10-01
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| Series: | Minerals |
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| Online Access: | https://www.mdpi.com/2075-163X/12/10/1271 |
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| author | Hang Chen Xiong Tong Xian Xie Ruiqi Xie Qiang Song Yiqi Cui Youming Xiao Pulin Dai |
| author_facet | Hang Chen Xiong Tong Xian Xie Ruiqi Xie Qiang Song Yiqi Cui Youming Xiao Pulin Dai |
| author_sort | Hang Chen |
| collection | DOAJ |
| description | In this paper, the adsorption of cyanide and its combination with zinc sulfate on the surface of sphalerite (110) was studied by density functional theory (DFT), and its configurational relationship was analyzed by coordination chemistry. The calculation results show that the adsorption configuration stability of CN<sup>−</sup> is stronger than that of Zn(CN)<sub>2</sub>; the chemical bond of Zn(OH)<sub>2</sub> is less covalent. The three adsorption modes all make the surface of sphalerite lose more electrons, thereby weakening the reactivity of S and Zn atoms on the sphalerite surface. During the CN<sup>−</sup> adsorption process, both the 3d and 4p orbital peak energy levels of Zn decrease, indicating the strong inhibitory effect of CN<sup>−</sup>. Coordination chemistry also shows that CN<sup>−</sup> matches the Zn ion orbital in sphalerite and the π electron pair on the Zn ion can easily interact with the empty π orbital on CN<sup>−</sup> to form π-backbonding. |
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| language | English |
| last_indexed | 2024-03-09T19:43:13Z |
| publishDate | 2022-10-01 |
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| spelling | doaj.art-43a2a3c5458b4aee849abc36cc1459df2023-11-24T01:29:48ZengMDPI AGMinerals2075-163X2022-10-011210127110.3390/min12101271Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination ChemistryHang Chen0Xiong Tong1Xian Xie2Ruiqi Xie3Qiang Song4Yiqi Cui5Youming Xiao6Pulin Dai7School of Land and Resources Engineering, Kunming University of Science and Technology, Kunming 650093, ChinaSchool of Land and Resources Engineering, Kunming University of Science and Technology, Kunming 650093, ChinaSchool of Land and Resources Engineering, Kunming University of Science and Technology, Kunming 650093, ChinaSchool of Land and Resources Engineering, Kunming University of Science and Technology, Kunming 650093, ChinaSchool of Land and Resources Engineering, Kunming University of Science and Technology, Kunming 650093, ChinaSchool of Land and Resources Engineering, Kunming University of Science and Technology, Kunming 650093, ChinaSchool of Land and Resources Engineering, Kunming University of Science and Technology, Kunming 650093, ChinaSchool of Land and Resources Engineering, Kunming University of Science and Technology, Kunming 650093, ChinaIn this paper, the adsorption of cyanide and its combination with zinc sulfate on the surface of sphalerite (110) was studied by density functional theory (DFT), and its configurational relationship was analyzed by coordination chemistry. The calculation results show that the adsorption configuration stability of CN<sup>−</sup> is stronger than that of Zn(CN)<sub>2</sub>; the chemical bond of Zn(OH)<sub>2</sub> is less covalent. The three adsorption modes all make the surface of sphalerite lose more electrons, thereby weakening the reactivity of S and Zn atoms on the sphalerite surface. During the CN<sup>−</sup> adsorption process, both the 3d and 4p orbital peak energy levels of Zn decrease, indicating the strong inhibitory effect of CN<sup>−</sup>. Coordination chemistry also shows that CN<sup>−</sup> matches the Zn ion orbital in sphalerite and the π electron pair on the Zn ion can easily interact with the empty π orbital on CN<sup>−</sup> to form π-backbonding.https://www.mdpi.com/2075-163X/12/10/1271cyanidesphaleriteDFTcoordination chemistry |
| spellingShingle | Hang Chen Xiong Tong Xian Xie Ruiqi Xie Qiang Song Yiqi Cui Youming Xiao Pulin Dai Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination Chemistry Minerals cyanide sphalerite DFT coordination chemistry |
| title | Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination Chemistry |
| title_full | Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination Chemistry |
| title_fullStr | Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination Chemistry |
| title_full_unstemmed | Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination Chemistry |
| title_short | Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination Chemistry |
| title_sort | cyanide depression mechanism for sphalerite flotation separation based on density functional theory calculations and coordination chemistry |
| topic | cyanide sphalerite DFT coordination chemistry |
| url | https://www.mdpi.com/2075-163X/12/10/1271 |
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