Application of Advanced Quantum Chemistry in Mineral Flotation
A special issue of Minerals (ISSN 2075-163X). This special issue belongs to the section "Mineral Processing and Extractive Metallurgy".
Deadline for manuscript submissions: closed (10 November 2023) | Viewed by 5577
Special Issue Editors
Interests: flotation theory; reagents; DFT simulation
Interests: precision separation physical chemistry of key minerals and elements; quantum chemistry of mineral processing and metallurgy
Interests: mineral engineering; mineral materials; separation and purification; coal flotation; adsorption mechanism
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Mineral resources provide an important material basis for the development of the national economy and society. However, with complex low-grade resources gradually becoming a main raw material, problems concerning these materials’ low separation efficiency and severe environmental impacts and the insufficient comprehensive utilization of traditional flotation technology are becoming increasingly prominent. The efficient development and utilization of mineral resources requires the refinement of the mineral flotation process. Advanced quantum chemistry (including valence bond theory, coordination field theory, molecular orbital theory and density functional theory), as a precise science for studying the microstructure and change laws of substances at atomic and molecular levels, serves as a powerful tool for research on mineral flotation processes and the transition of the mineral flotation process from a semi-empirical traditional discipline to a fine engineering science.
This Special Issue aims to summarize recent progress in the research on advanced quantum chemistry and computational simulation methods for the mineral flotation process. Three sections will be covered:
Section 1: Applications of advanced quantum chemistry in the study of flotation reagents.
Section 2: Applications of density functional theory in the study of mineral crystal and surface and interface structure properties.
Section 3: Applications of density functional theory in the study of mineral–reagent and mineral–mineral interface chemistry.
This Special Issue will enrich and improve the basic physical and chemical theory of the mineral flotation process and provide a reference for research on the flotation process. Relevant research results can provide theoretical and methodological guidance for the efficient and precise separation of complex and refractory mineral resources.
Prof. Dr. Jianhua Chen
Prof. Dr. Chenyang Zhang
Prof. Dr. Jiushuai Deng
Guest Editors
Manuscript Submission Information
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Keywords
- quantum chemistry
- flotation reagents
- mineral crystal and surface structure
- mineral interface chemistry
- interface chemistry of mineral separation
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