Structural and electronic properties of bastnaesite and implications for surface reactions in flotation

Cao, Shiming; Cao, Yijun; Ma, Zhen; Liao, Yinfei; Zhang, Xiaolin

doi:10.1016/j.jre.2019.04.020

Cited by 16 publications

(9 citation statements)

References 23 publications

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“…After TA treatment, the binding energies of the latter two peaks were shifted by 0.55 eV (to 286.16 eV) and 0.72 eV (to 288.84 eV). Moreover, for pure bastnaesite, the peaks (Figure 14(b)) at 533.29, 531.50, and 529.37 eV corresponded to the C–O, CeFCO 3 /C=O, and Ce–O species, respectively (Cao et al 2020; Lin et al 2020). After TA treatment, these peaks were shifted by 0.16 eV (to 533.45 eV), 0.51 eV (to 532.01 eV), and 1.7 eV (to 513.07 eV), respectively.…”

Section: Resultsmentioning

confidence: 99%

Adsorption of tannic acid as depressant in the flotation separation of fluorite and bastnaesite

Guo,

Hou,

Jin

et al. 2023

Mineral Processing and Extractive Metallurgy: Transactions of t

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Fluorite, a strategic industrial mineral, was investigated for flotation separation from bastnaesite with tannic acid (TA) as depressant. In this study, the adsorption analysis indicates that the adsorption density of TA on bastnaesite was greater than that of fluorite. The zeta potential, Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) provide the evidence that chemisorption and electrostatic attraction occurred simultaneously between TA and fluorite or bastnaesite at optimal pH, the latter also involving hydrogen bonding interactions. Furthermore, the micro-flotation and batch flotation results suggest that TA could effectively depress bastnaesite with a negligible effect on fluorite at low concentrations, and that TA attached to the surface of bastnaesite precluded the adsorption of phthalic acid (PA) as collector, whereas it could be adsorbed on the fluorite surface. These findings offer a robust theoretical foundation and valid guidance for the flotation separation of fluorite from bastnaesite in industrial processes.

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Section: Resultsmentioning

confidence: 99%

Adsorption of tannic acid as depressant in the flotation separation of fluorite and bastnaesite

Guo,

Hou,

Jin

et al. 2023

Mineral Processing and Extractive Metallurgy: Transactions of t

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“…Consequently, Ce−O and Ce−F bonds are more prone to be ruptured from the bastnasite cleaved planes, leaving ≡Ce 3+ , ≡CO 3 2-, and ≡F − dangling bonds to interact with water molecules in the solution, thus resulting in high hydrophilicity of bastnasite. 298,316 DFT calculations were carried out to characterize the hydrophilicity level of coal as a function of surface functional groups. 317 X-ray photoelectron spectroscopy (XPS) of the samples revealed the existence of four oxygen-containing functional groups, namely, −OH, C−O, C�O, and −COOH, on the coal surface.…”

Section: Mineral Surfacesmentioning

confidence: 99%

“…In the case of the bastnäsite surface, bond population analysis by DFT calculations showed that the C–O bonds in the mineral structure feature covalent bonds, while the Ce–O and Ce–F consist of strong ionic bonds. Consequently, Ce–O and Ce–F bonds are more prone to be ruptured from the bastnäsite cleaved planes, leaving ≡Ce 3+ , ≡CO 3 2‑, and ≡F – dangling bonds to interact with water molecules in the solution, thus resulting in high hydrophilicity of bastnäsite. , …”

Section: Applications Of Molecular Modeling To Froth Flotationmentioning

confidence: 99%

Emerging Trends of Computational Chemistry and Molecular Modeling in Froth Flotation: A Review

et al. 2023

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Froth flotation is the most versatile process in mineral beneficiation, extensively used to concentrate a wide range of minerals. This process comprises mixtures of more or less liberated minerals, water, air, and various chemical reagents, involving a series of intermingled multiphase physical and chemical phenomena in the aqueous environment. Today’s main challenge facing the froth flotation process is to gain atomic-level insights into the properties of its inherent phenomena governing the process performance. While it is often challenging to determine these phenomena via trial-and-error experimentations, molecular modeling approaches not only elicit a deeper understanding of froth flotation but can also assist experimental studies in saving time and budget. Thanks to the rapid development of computer science and advances in high-performance computing (HPC) infrastructures, theoretical/computational chemistry has now matured enough to successfully and gainfully apply to tackle the challenges of complex systems. In mineral processing, however, advanced applications of computational chemistry are increasingly gaining ground and demonstrating merit in addressing these challenges. Accordingly, this contribution aims to encourage mineral scientists, especially those interested in rational reagent design, to become familiarized with the necessary concepts of molecular modeling and to apply similar strategies when studying and tailoring properties at the molecular level. This review also strives to deliver the state-of-the-art integration and application of molecular modeling in froth flotation studies to assist either active researchers in this field to disclose new directions for future research or newcomers to the field to initiate innovative works.

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“…The first-principles method based on density functional theory (DFT) has demonstrated its efficacy in determining the structural and electronic properties of minerals, as well as the molecular properties of flotation reagents [ 25 ]. This computational approach provides powerful theoretical support for the corresponding experimental findings.…”

Section: Introductionmentioning

confidence: 99%

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

Wang,

Li,

Zhu

et al. 2024

Molecules

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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.

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Structural and electronic properties of bastnaesite and implications for surface reactions in flotation

Cited by 16 publications

References 23 publications

Adsorption of tannic acid as depressant in the flotation separation of fluorite and bastnaesite

Adsorption of tannic acid as depressant in the flotation separation of fluorite and bastnaesite

Emerging Trends of Computational Chemistry and Molecular Modeling in Froth Flotation: A Review

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

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