The Role of Fe(III) in Selective Adsorption of Pullulan on Calcite Surfaces: Experimental Investigation and Molecular Dynamics Simulation
Abstract
:1. Introduction
2. Materials and Methods
2.1. Samples and Reagents
2.2. Flotation Experiments
2.3. Contact Angle Test
2.4. Zeta Potential Measurement
2.5. XPS Analysis
2.6. Molecular Dynamics Simulation
3. Results and Discussion
3.1. Flotation Performance
3.2. Contact Angle Results
3.3. Zeta Potential Results
3.4. X-ray Photoelectron Spectroscopy Analyses
3.5. DFT and MD Simulation Analysis
4. Discussion
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Sample | CaCO3 | CaF2 |
---|---|---|
Calcite | 99.2 | / |
Fluorite | / | 98.5 |
Fluorite: Calcite | Product | Fluorite (CaF2) | Fluorite | |
---|---|---|---|---|
Yield (%) | Grade (%) | Recovery (%) | ||
1:1 | Concentrate | 49.82 | 85.43 | 87.21 |
Products in cell | 50.18 | 12.43 | 12.79 | |
Feed | 100.00 | 48.80 | 100.00 |
Mineral | Surface | Adsorption Energy ∆E/(kJ/mol) |
---|---|---|
Calcite | {104} | −102.8358 |
Fluorite | {111} | −1.1718 |
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Ding, K.; Qiu, T.; Qiu, X.; Zhao, G.; Jiao, Q.; Fang, J.; Lai, R.; Yang, W. The Role of Fe(III) in Selective Adsorption of Pullulan on Calcite Surfaces: Experimental Investigation and Molecular Dynamics Simulation. Molecules 2024, 29, 4194. https://doi.org/10.3390/molecules29174194
Ding K, Qiu T, Qiu X, Zhao G, Jiao Q, Fang J, Lai R, Yang W. The Role of Fe(III) in Selective Adsorption of Pullulan on Calcite Surfaces: Experimental Investigation and Molecular Dynamics Simulation. Molecules. 2024; 29(17):4194. https://doi.org/10.3390/molecules29174194
Chicago/Turabian StyleDing, Kaiwei, Tingsheng Qiu, Xianhui Qiu, Guanfei Zhao, Qinghao Jiao, Jiangjie Fang, Ruisen Lai, and Wenhui Yang. 2024. "The Role of Fe(III) in Selective Adsorption of Pullulan on Calcite Surfaces: Experimental Investigation and Molecular Dynamics Simulation" Molecules 29, no. 17: 4194. https://doi.org/10.3390/molecules29174194