Quantum–Mechanics of Pyrite Flotation
The authors carried out molecular modeling of clusters of simple structure and ring structure pyrite. It is suggested to analyze bonding of a collecting agent and cluster atom using the collector capacity forecasting index. It is shown that butyl dixanthate more vigorously connects to cluster atoms than thionocarbamates, e.g., Z 200 and IETNC. Analysis of the charge transfer in interaction of pyrite and the listed collecting agents shows that in monodentate bonding the charge is transferred from the mineral to the collector sulfur atoms and in bidentate bonding the classical transfer of the charge from the collector donor to the mineral acceptor is observed. It is supposed that ferrum xanthate decompounding in an acid medium results in inception of dixanthates that govern pyrite flotation. Pyrite oxidation and elemental sulfur formation also favor pyrite flotation and complicate pyrite depression in an alkaline medium.