辉钼矿晶面各向异性及其对浮选的影响机制

辉钼矿的晶面各向异性导致其"表面"和"棱面"具有截然不同的性质，进而影响到辉钼矿的浮选效果。通过密度泛函理论，从原子级别直观地阐释了辉钼矿"表面"和"棱面"性质差异的原因，并分别讨论了水、煤油和黄药在辉钼矿表面的作用。结果表明辉钼矿的"表面"为强疏水面，"棱面"为强亲水面。此外，煤油主要是通过静电作用吸附在辉钼矿的含S原子面，而黄药则是通过其C-S单键中S原子与辉钼矿"棱面"Mo原子的成键作用吸附于辉钼矿的"棱面"。 

Anisotropy of Molybdenite Surface and Its Effects on Flotation Mechanism

The crystal anisotropy of molybdenite makes its "surface" and "edge" have very different properties, which further affects the flotation behavior of molybdenite. Through density functional theory, the reasons for the differences in the properties of molybdenite "surface" and "edge" are demonstrated from the atomic level, and the effects of water, kerosene, and xanthate on the surface of molybdenite are discussed. The results show that the "surface" of the molybdenite is strongly hydrophobic and the "edge" is strongly hydrophilic. In addition, kerosene is mainly adsorbed on the S-containing atomic face of molybdenite by electrostatic interactions, whereas xanthate is adsorbed on molybdenum "edge" by the bonding interaction of the S atom in its C-S single bond with Mo atom at the molybdenite "edge".