Quantum-Chemical Study of the Reaction of Pent-4-en-2-yn-1-ol with Copper, Zinc, and Nickel Sulfides

摘要

Complexes of metal sulfides MS (M = Cu, Zn, Ni) with pent-4-en-2-yn-1-ol modeling dimethyl-(isopropenylethynyl)carbinol, a potent floating agent for benefication of nonferrous metal ores, were calculated by the B3LYP density functional theory method with the 6-31G~(**) basis set. The adsorption mechanisms of vinylacetylenic and aliphatic alcohols were shown to vary depending on the nature of the metal sulfide. This fact can be taken into account on the flotation of mixed ores for selective metal extraction.