Unravelling the Flotation Performance of 1-Hydroxy-2-naphthyl hydroxamic Acid and Styrene Phosphonic Acid Collectors on Monazite Using Experiments and DFT Calculations

The atomic-level structure and electronic properties of monazite were investigated using a first-principles method based on density functional theory (DFT). First, the geometric structure of monazite was optimized, followed by calculations of its Mulliken population, electron density, and density of...

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Bibliographic Details
Published in:Molecules (Basel, Switzerland) Switzerland), 2024-02, Vol.29 (5), p.1052
Main Authors: Wang, Weiwei, Li, Zhengyao, Zhu, Weiyao, Hou, Shaochun, Guo, Chunlei
Format: Article
Language:English
Subjects:
1-hydroxy-2-naphthyl hydroxamic acid
Adsorption
adsorption energies
Analysis
Chemical bonds
Density functionals
DFT
Electrons
Fatty acids
flotation
Minerals
monazite
Rare earth elements
Spectrum analysis
styrene phosphonic acid
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Summary:The atomic-level structure and electronic properties of monazite were investigated using a first-principles method based on density functional theory (DFT). First, the geometric structure of monazite was optimized, followed by calculations of its Mulliken population, electron density, and density of states, which were subsequently analyzed. The findings of this analysis suggest that monazite is highly susceptible to cleavage along the {100} plane during crushing and grinding. When SPA was utilized as the collector, the recovery rate of monazite was higher than that when LF-P8 was used. The zeta potential and adsorption energy results indicated that the zeta potential after SPA adsorption tended towards negativity, and the adsorption energy was smaller, indicating that SPA exhibited stronger adsorption performance. LF-P8 was stably adsorbed on the monazite (100) surface via mononuclear double coordination. SPA was stably adsorbed on the surface of monazite (100) via binuclear double coordination. The results of this study provide valuable insights into the adsorption of monazite by commonly used flotation collectors. These findings are of substantial importance for future endeavors in designing flotation collectors capable of achieving selective monazite flotation.
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules29051052