Study On The Physical And Chemical Characteristics Of Coal-pyrite And Its Inhibitors

The coal desulfurization has beenanfocus issue inour country and also the world’smajor coal-producing countries. Aiming at the difficulty of pyrite removal from coal,detailed studies of the sulfur distribution and dissemination laws of Gongwusuhigh-sulfur coal were made in this paper.By way of conventional flotation, exploratoryexperiment of the dissociated Gongwusu high-sulfur coal were conducted, and on thebasis of which, the affecting factors of desulfurization were proposedThenthrough thepure and mixed ore samples flotation desulfurization experiments, this paper comparedthe differences of the surface properties between the coal-pyrite and mineral-pyrite,anddiscussedthe root cause ofthis differencesby the electronic structure theory.Quantumchemical theory was applied to research the physical and chemical properties of pyriteflotation, and explore the density functional theory calculations of electronic structureproperties in pyrite.Special emphasis has been placed on the influence of carbon dopingon the electronic properties and flotation behavior of pyrite crystals using MaterialsStudio,which revealed the special properties of coal-pyrite and the source of thedifficulty to suppress itAt last, this paper simulated the chemisorption process betweenthe pyrite surface and reagents using molecular dynamics simulation tools, at the sametime, revealed its mechanism.