Unveiling the enhancement mechanism of Fe ion for muscovite flotation: Adjustment of surface potential and agent dispersion

Metal ions have been used to improve the flotation recovery of muscovite, while the enhancement mechanism is still unclear. In this paper, density functional theory (DFT) calculations and molecular dynamics (MD) simulations were employed to investigate the adsorption structure of sodium oleate (NaOL) on muscovite surface, and the diffusivity and foaming of NaOL in the pulp system, in presence of Fe3+ at different pH range. DFT calculation results suggested that the adsorption of iron ions, include FeOH2+ and Fe(OH)2+, could change the surface charge from negative to positive, thus enhancing binding performance for OL-. Moreover, MD simulations indicated that the distribution of iron ions in aqueous solution can significantly affect the dispersion of sodium oleate molecules. Specifically, FeOH2+ may lead to the complexation of oleate ions and result in the agglomeration, which is not conducive to its dispersion in solution. However, Fe(OH)2+ can significantly inhibit the aggregation of OL- molecules, and accelerate the dispersion of OL- in flotation pulp. This work reveals atomic-level mechanism of Fe ion on the dispersion and adsorption of sodium oleate in pulp, which is helpful to the understanding of minerals flotation behavior in presence of metal ions.