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Description
Spodumene (LiAlSi₂O₆) is a primary lithium-bearing mineral of significant industrial importance, particularly in the production of rechargeable batteries for electric vehicles. In natural ore systems, spodumene commonly coexists with feldspar (NaAlSi3O8), which serves as a major gangue mineral, necessitating efficient separation strategies. In this study, a combination of density functional theory (DFT) and ab-initio Molecular Dynamics with machine-learned force fields was employed to investigate the adsorption behavior of selected collector molecules on spodumene and feldspar surfaces under both acidic and neutral conditions. Surface stability analysis indicated that the spodumene (110) surface is the most thermodynamically stable, with a surface energy of 0.71 J·m⁻², while the feldspar (001) surface exhibited a surface energy of 0.831 J·m⁻². A series of collectors including diethyl phosphate and diethyl arsenate were systematically adsorbed onto these surfaces at acidic and neutral conditions. The results reveal that adsorption under dry conditions was more exothermic than under hydrated conditions for both minerals. In dry systems, spodumene demonstrated stronger adsorption affinities, with diethyl hydrogen arsenate exhibiting the most favorable adsorption energy of −281.596 kJ·mol⁻¹, preferentially coordinating with surface Al sites. Conversely, under hydrated conditions, feldspar exhibits relatively stronger adsorption interactions compared to spodumene. The most favorable interaction was observed for diethyl sodium phosphate, with an adsorption energy of −182.560 kJ·mol⁻¹, also favoring coordination with Al surface atoms. This proposes possible reverse flotation process in the separation of spodumene from feldspar.
| Apply for student award at which level: | MSc |
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| Consent on use of personal information: Abstract Submission | Yes, I ACCEPT |