The depression of pyrite in selective flotation by different reagent systems – A Literature review

The adsorption behavior of surfactants on mineral surfaces in the presence of electrolytes - A critical review

Adsorption of ethyl xanthate on ZnS(110) surface in the presence of water molecules: A DFT study

The effect of water molecules on the thiol collector interaction on the galena (PbS) and sphalerite (ZnS) surfaces: A DFT study

Selective adsorption mechanism of salicylic acid on pyrite surfaces and its application in flotation separation of chalcopyrite from pyrite

Depression of pyrite in alkaline medium and its subsequent activation by copper

First-principles calculations are performed to investigate the relaxation and electronic properties of sulfide minerals surfaces (MoS2, Sb2S3, Cu2S, ZnS, PbS and FeS2) in presence of H2O molecule. The calculated results show that the structure and electronic properties of sulfide minerals surfaces have been influenced in presence of H2O molecule. The adsorption of the flotation reagent at the interface of mineral-water would be different from that of mineral surface due to the changes of surface structures and electronic properties caused by H2O molecule. Hence, the influence of H2O molecule on the reaction of flotation reagent with sulfide mineral surface will attract more attention.

DFT calculation on relaxation and electronic structure of sulfide minerals surfaces in presence of H2O molecule

The hydration structure of water molecule adsorption at different coverages of a monolayer on a pyrite (100) surface were simulated using the density functional theory (DFT) method. The results demonstrate that the Fe-O interaction weakens and the adsorption energy per water molecule decreases with increasing water coverage, except at a monolayer coverage of 12/12 (i.e., full coverage). H-S and H-O hydrogen bonds were formed on the nearest surface layer. When large amounts of water molecules adsorb onto the surface, the adsorbed water molecules can be divided into three layers: the layer nearest to the surface, the second nearest to the surface, and the layer farthest from the surface. The thickness of the former two layers is approximately 5.5 Å. The three layers have water densities of 1.12 g/cm3, 1.08 g/cm3, and 0.95 g/cm3, respectively, suggesting that there is a strong interaction between the pyrite surface and water molecules and the influence of surface structure on water adsorption reaches a distance of more than 10 Å. Dynamics simulations suggest that the water molecules close to the mineral surfaces are in an orderly arrangement while those far from the surface are disordered.

http://www.journalssystem.com/ppmp/pdf-133010-62533?filename=First_principles study on.pdf

Duan Kang

Papers

Depression of pyrite in alkaline medium and its subsequent activation by copper

DFT calculation on relaxation and electronic structure of sulfide minerals surfaces in presence of H2O molecule

First-principles study on the adsorption structure of water molecules on a pyrite (100) surface

Influence of Sulfur Vacancy on Pyrite Oxidization by Water and Oxygen Molecules