Abstract
In this study, density functional theory (DFT) was used to simulate the adsorption of sodium alginate (SA) on the surface of sphalerite, marmatite (110), and galena (100). The results showed that SA was mainly adsorbed on the surface of sphalerite by van der Waals interaction and steric hindrance without iron substitution. However, the substitution of iron on the surface of sphalerite significantly increased the adsorption energy of SA. In particular, the substitution of a large amount of iron significantly changed the surface properties of sphalerite, and the adsorption of SA on the surface of sphalerite changed from physical to chemical adsorption. The results of a density of states comparative analysis, charge transfer, and coordination theory analysis also confirmed that the adsorption of SA on a marmatite surface was easier and more stable than that on galena or sphalerite. Overall, the high selectivity of SA is expected to make it a green depressant of marmatite.
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