The First-principle Study of Silver Activation and Xanthate Adsorption on Sphalerite Surface

LIU Xiaomei; CHEN Ye; FENG Yao; CHEN Jianhua

doi:10.13779/j.cnki.issn1001-0076.2021.02.002

2021 Vol. 41, No. 2

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LIU Xiaomei, CHEN Ye, FENG Yao, CHEN Jianhua. The First-principle Study of Silver Activation and Xanthate Adsorption on Sphalerite Surface[J]. Conservation and Utilization of Mineral Resources, 2021, 41(2): 7-12. doi: 10.13779/j.cnki.issn1001-0076.2021.02.002

Citation:

LIU Xiaomei, CHEN Ye, FENG Yao, CHEN Jianhua. The First-principle Study of Silver Activation and Xanthate Adsorption on Sphalerite Surface[J]. Conservation and Utilization of Mineral Resources, 2021, 41(2): 7-12. doi: 10.13779/j.cnki.issn1001-0076.2021.02.002

The First-principle Study of Silver Activation and Xanthate Adsorption on Sphalerite Surface

School of Resources, Environment and Materials, Guangxi University, Nanning 530004, Guangxi, China

Received Date: 05 February 2021

Publish Date: 25 April 2021

Abstract

Abstract

In order to further study the activation mechanism of silver ions on sphalerite, the Ag⁺ substitution and adsorption mechanism on sphalerite were studied by density functional theory. Meanwhile, the activation effect of silver to the adsorption of xanthate on sphalerite was studied. The results showed that ethyl xanthate did not interact with the un-activated sphalerite surface but could have strong interaction with the Ag⁺-activated sphalerite surface. Compare with the two activation models, Ag⁺ adsorption activation was more likely to occur in terms of energy than Ag⁺ substitution activation. On the Ag⁺ substitution-activated sphalerite surface, the S atom of xanthate interacted weakly with surface Ag atom, while on the Ag⁺ adsorption-activated sphalerite surface, the S atom of xanthate interacted strongly with surface Ag atom. Density of states analysis showed that on Ag⁺ adsorption-activated sphalerite surface, the 3p state of S atom and the 4d state of Ag atom had many overlapping regions of bonding orbital electron clouds. This indicated that adsorption-activated Ag⁺ had a strong interaction with S atom of xanthate. Mulliken charge analysis showed that there was more charge transfer between the Ag⁺ adsorption-activated sphalerite surface and xanthate, which further indicated that Ag⁺ adsorption-activation was more likely to occur.
- sphalerite /
- flotation /
- sliver activation /
- the first-principle

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References

[1]	曾勇, 刘建, 王瑜, 等. 典型金属离子对闪锌矿浮选行为的影响及作用机制的研究进展[J]. 矿产保护与利用, 2019, 39(2): 109-117. Google Scholar
[2]	胡德勇. 铅锌冶炼科技进步现状与"十五"发展方向[J]. 有色金属工业, 2001(8): 11-13. Google Scholar
[3]	刘建. 闪锌矿表面原子构型及铜吸附活化浮选理论研究[D]. 昆明: 昆明理工大学, 2013. Google Scholar
[4]	黎维中. 难处理铅锌银硫化矿物资源综合回收的研究与实践[D]. 长沙: 中南大学, 2007. Google Scholar
[5]	谢贤. 难选铁闪锌矿多金属矿石的浮选试验与机理探讨[D]. 昆明: 昆明理工大学, 2011. Google Scholar
[6]	KARTIO IJ, BASILIO CI, YOONn R-H. An XPS Study of Sphalerite Activation by Copper[J]. American Chemical Society, 1998, 14(18): 0743-7463. Google Scholar
[7]	CHEN JH, Chen Y, and LI YQ. Quantum-mechanical study of effect of lattice defects on surface properties and copper activation of sphalerite surface[J]. Transactions of Nonferrous Metals Society of China, 2010, 20(6): 1121-1130. doi: 10.1016/S1003-6326(09)60266-1 CrossRef Google Scholar
[8]	GERSON AR, LANGE AG, PRINCE KE, SMART RC. The mechanism of copper activation of sphalerite[J]. Applied Surface science, 1999, 137(1): 207-223. Google Scholar
[9]	F·拉什齐. 闪锌矿的活化及表面Pb离子浓度[J]. 国外金属矿选矿, 2003, 40(6): 31-36. Google Scholar
[10]	FUERSTENAU DW, METZGER PH. Activation of sphalerite with lead ions in the presence of zinc salts[J]. Minerals engineering, 1960, 217: 119-123. Google Scholar
[11]	POPOV SR, VUINI DR, KAANIK JV. Floatability and adsorption of ethyl xanthate on sphalerite in an alkaline medium in the presence of dissolved lead ions[J]. International Journal of Mineral Processing, 1989, 27(3/4): 205-219. Google Scholar
[12]	CHEN Y, CHEN JH, and GUO J. A DFT study on the effect of lattice impurities on the electronic structures and floatability of sphalerite[J]. Minerals engineering, 2010, 23(14): 1120-1130. doi: 10.1016/j.mineng.2010.07.005 CrossRef Google Scholar
[13]	REICH M, Becker U. First-principles calculations of the thermodynamic mixing properties of arsenic incorporation into pyrite and marcasite[J]. Chemical Geology, 2006, 225(3/4): 278-290. Google Scholar
[14]	CHEN JH, WANG L, CHEN Y, et al. A DFT study of the effect of natural impurities on the electronic structure of galena[J]. International Journal of Mineral Processing, 2011, 98: 132-136. doi: 10.1016/j.minpro.2010.11.001 CrossRef Google Scholar
[15]	LONG XH, CHEN JH, and Chen Y. Adsorption of ethyl xanthate on ZnS(110) surface in the presence of water molecules: A DFT study[J]. Applied Surface Science, 2016, 370(5): 11-18. Google Scholar
[16]	VANDERBILT, DAVID. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism[J]. Physical Review B Condensed Matter, 1990, 41(11): 7892. doi: 10.1103/PhysRevB.41.7892 CrossRef Google Scholar
[17]	PERDEW JP, Wang Y. Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy[J]. Physical Review B, Condensed matter, 1992, 45(23): 13244-13249. doi: 10.1103/PhysRevB.45.13244 CrossRef Google Scholar
[18]	NISHIDATE K, YOSHIZAWA M, HASEGAWA M. Energetics of Mg and B adsorption on polar zinc oxide surfaces from first principles[J]. Physical Review B, Condensed matter, 2008, 77(3): 35330-35336. doi: 10.1103/PhysRevB.77.035330 CrossRef Google Scholar
[19]	LEPPINEN JO. FTIR and flotation investigation of the adsorption of ethyl xanthate on activated and non-activated sulfide minerals[J]. International Journal of Mineral Processing, 1990, 30(3): 245-263. Google Scholar