Application progress of molecular simulation in phosphate ore flotation

Zhang Qin; Li Xianbo; Mao Song; Zhang Tiebin

doi:10.19606/j.cnki.jmst.2023.01.010

Volume 8 Issue 1

Feb. 2023

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Article Navigation > Journal of Mining Science and Technology > 2023 > 8(1): 102-114

Zhang Qin, Li Xianbo, Mao Song, Zhang Tiebin. Application progress of molecular simulation in phosphate ore flotation[J]. Journal of Mining Science and Technology, 2023, 8(1): 102-114. doi: 10.19606/j.cnki.jmst.2023.01.010

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Application progress of molecular simulation in phosphate ore flotation

doi: 10.19606/j.cnki.jmst.2023.01.010

Zhang Qin^{1, 3, 4
,},
Li Xianbo^{2, 3, 4},
Mao Song^{2, 3, 4},
Zhang Tiebin^{2, 3, 4}

1.
Guizhou Academy of Sciences, Guiyang Guizhou 550001, China
2.
Mining College, Guizhou University, Guiyang Guizhou 550025, China
3.
National & Local Joint Laboratory of Engineering for Effective Utilization of Regional Mineral Resources from Karst Areas, Guiyang Guizhou 550025, China
4.
Guizhou Key Lab of Comprehensive Utilization of Nonmetallic Mineral Resources, Guiyang Guizhou 550025, China

Received Date: 2022-07-30
Rev Recd Date: 2022-09-20
Publish Date: 2023-02-28

Abstract

Abstract

Flotation is the main method to improve the quality and reduce the impurity of calcium magnesium phosphate ore. However, the similar surface physical and chemical properties of dolomite and fluorapatite make it difficult to separate efficiently. With the development of quantum mechanics and computational chemistry, molecular simulation has gradually become an effective tool for studying the flotation of calcium magnesium phosphate ore. It provides a new method for studying the crystal chemical properties of the main minerals in calcium-magnesium phosphate ore and the interaction between mineral interfaces. On the basis of reviewing the research, especially the wettability, surface electricity and surface adsorption characteristics, this paper summarizes the methods of molecular simulation, and the application of density functional theory(DFT)and molecular dynamics simulation(MDS)in the flotation separation of fluorapatite and dolomite, including the chemical properties of crystals, the interaction of water molecules and reagents with mineral surfaces. In addition, the application prospects of molecular simulation in phosphate ore flotation research are also discussed.
- molecular simulation,
- fluorapatite,
- dolomite,
- flotation,
- surface chemistry

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References(77)

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Application progress of molecular simulation in phosphate ore flotation

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