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Insight into mineral flotation fundamentals through the DFT method
International Journal of Mining Science and Technology ( IF 11.8 ) Pub Date : 2021-10-18 , DOI: 10.1016/j.ijmst.2021.10.001
Weiyong Cui 1 , Jianhua Chen 1, 2, 3
Affiliation  

Flotation is a complex process that occurs in solid–liquid-gas multiphase systems, and its main factors include the minerals, separation medium, as well as various flotation reagents. The study of mineral properties and interactions with other components such as reagents and water lays the basic theoretical foundation for flotation. Density functional theory (DFT) calculations can qualitatively evaluate the exchange of matter and energy between the mineral system and the surroundings and quantitatively characterize these behaviors, which greatly expands the breadth and depth of flotation studies. This review systematically summarizes the advances of flotation research based on DFT studies, including the study of mineral crystal chemistry represented by the theory of lattice defects, mineral surface hydration such as hydrophilicity and hydrophobicity, surface regulation mechanism, and collecting mechanism based on surface adsorption theory. More significantly, it systematically elaborates different types of collectors according to their characteristics and emphatically explains the mechanism of some typical collectors in detail.



中文翻译:

通过 DFT 方法深入了解矿物浮选基础

浮选是发生在固-液-气多相系统中的复杂过程,其主要因素包括矿物、分离介质以及各种浮选药剂。矿物性质的研究以及与其他成分(如试剂和水)的相互作用为浮选奠定了基本的理论基础。密度泛函理论(DFT)计算可以定性评价矿物系统与周围环境之间的物质和能量交换并定量表征这些行为,极大地扩展了浮选研究的广度和深度。本综述系统总结了基于DFT研究的浮选研究进展,包括以晶格缺陷理论为代表的矿物晶体化学研究,基于表面吸附理论的矿物表面水化作用,如亲水性和疏水性,表面调控机制和收集机制。更重要的是,它根据不同类型的收集器的特点系统地阐述了它们,并着重详细地解释了一些典型的收集器的作用机制。

更新日期:2021-12-24
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