Electronic Structure and Surfaces of Sulfide Minerals: Density Functional Theory and Applications

Electronic Structure and Surfaces of Sulfide Minerals: Density Functional Theory and Applications examines the mineral structure and electronic properties of minerals and their relationship to mineral floatability by density functional theory (DFT). This pragmatic guide explores the role of minerals in flotation by focusing on the mineral surface structure, electronic properties, and the adsorption of flotation agents through the study of the microscopic mechanism of reagents from the structure and properties of minerals. The flotation mechanism is explained from the point-of-view of solid physics, which is of great significance for both theoretical research and practical applications. The study of the structure and properties of the minerals can reveal the essential nature of mineral flotation, hence why minerals have floatability, the mechanism of response of different minerals to different chemicals, and the origin of the selectivity of flotation agents.

Author Biography: Dr. Jianhua Chen graduated with a PhD in Minerals Processing Engineering from Central South University, Changsha, P.R. China. He is currently the Director of Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials and Professor in the College of Resources, Environment and Materials at Guangxi University in Nanning, P. R. China. Dr. Chen's main research area includes Minerals Processing, Solid Physics of Mineral, Quantum Simulation of Minerals and Molecular design of new flotation reagent. Dr. Zhenghe Xu graduated with a PhD in Materials Science and Engineering in 1990 from Virginia Polytechnic Institute and State University, Virginia, USA. He is currently Dean of College of Engineering at Southern University of Science and Technology in Shenzhen, P.R. China and Teck Professor in the Department of Chemical and Materials Engineering at University of Alberta (on leave), Edmonton, Canada. Dr. Xu's main research area includes Surface and Interfacial Science, Materials and Minerals Processing, in particular in Flotation, and Waste Water Treatment. Dr. Ye Chen graduated with a PhD in Chemical Engineering from Guangxi University, Nanning, P.R. China. She is currently a Professor in the College of Resources, Environment and Materials at Guangxi University in Nanning, P. R. China. Dr. Chen's main research area includes Flotation, Surface and Interfacial Science of Minerals and DFT modeling of Minerals.

1. Introduction of Density functional Theory
2. Electronic properties of sulfide minerals and floatability
3. Surface relaxation and electronic properties of sulfide minerals
4. Interaction of water and oxygen with sulfide mineral surface
5. Structure and activity of flotation reagents
6. Interaction of flotation reagents with mineral surface
7. Electronic structures and adsorption of sulfide minerals bearing impurities