Effect of La Doping and Al Species on Bastnaesite Flotation: A Density Functional Theory Study

The recovery of rare earth elements from ores is crucial because of their applications in modern technology. Bastnaesite (La/Ce(CO3)F) is typically found in deposits with other gangue minerals but can be purified by flotation. Accordingly, we investigated the interactions of the collector nonyl hydroxamic acid (NHA) with bastnaesite using density functional theory (DFT) calculations. In addition, we replaced Ce sites on the bastnaesite (100) surface with La and investigated the effect on NHA adsorption. Finally, we examined the effects of co-present aluminum species, which are frequently used inhibitors for associated gangue minerals during bastnaesite flotation, on NHA adsorption and, thus, the flotation efficiency. We found that doping with La increased the strength of adsorption between NHA and the bastnaesite (100) surface. In addition, we found that Al(OH)(3(s)) was adsorbed more strongly than NHA. Consequently, when Al(OH)(3(s)) is present in the flotation pulp, it is preferentially adsorbed, which reduces the number of sites for NHA adsorption and its flotation efficiency. These findings suggest that La doping can enhance the recovery of bastnaesite and indicate that the presence of Al minerals should be minimized.