硫化矿浮选从晶体结构到界面反应的DFT研究.pdfVIP

DFT Study on Flotation of Sulfide Minerals: from crystal structure to interfacial reaction Guangxi University J ianhua Chen 2018.8 Contents 1、Background 2 2 、Electronic properties and floatability of sulfide minerals 6 3 、Surface structure and adsorption performance 10 4 、Interface structure and adsorption on the mineral surface and water 15 5 、New insight of Pyrite oxidation 20 1、INTRODUCE 1) Minerals are the objective in flotation; the structure of mineral crystal is periodic lattice and complicated. chalcopyrite:CuFeS2 galena ：PbS sphalerite ：ZnS Unit Cell:Zn S Unit Cell:Fe Cu S Unit Cell ： Pb S 4 4 16 16 32 4 4 2）The floatability of mineral is related to crystal structure Example 1: Minerals with similar chemical formula, especially the same cation, have different properties and floatability: galena(PbS）——cerussite (PbCO ) 3 pyrite(FeS )——hematite （Fe O ) 2 2 3 copper sulfide(CuS\CuS \CuFeS ) ——copper oxide( CuCO ) 2 2 3 sphalerite(ZnS)——smithsonite (ZnCO ) 3 I: Sulfide minerals are easy to be floated by xanthate, however, oxide minerals with the same cation can not be floated by xanthate. II: After sulfidation, cerussite amd copper oxide are easy to be floated by xanthate, and hematite and smithsonite are totally not float