Insight into mineral flotation fundamentals through the DFT method

IF 11.7 1区工程技术 Q1 MINING & MINERAL PROCESSING

International Journal of Mining Science and Technology Pub Date : 2021-11-01 DOI:10.1016/j.ijmst.2021.10.001

Weiyong Cui , Jianhua Chen

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引用次数: 53

Abstract

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.

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通过DFT方法深入了解矿物浮选的基本原理

浮选是发生在固液气多相体系中的复杂过程，其主要影响因素包括矿物、分离介质以及各种浮选药剂。矿物性质及其与药剂、水等其他组分相互作用的研究为浮选奠定了基础理论基础。密度泛函理论(DFT)计算可以定性地评价矿物系统与周围环境之间的物质和能量交换，并定量地表征这些行为，极大地拓展了浮选研究的广度和深度。本文系统地综述了基于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、矿物表面水化(亲疏水性)研究、表面调节机理、基于表面吸附理论的捕收机理等。更重要的是，根据不同类型的收集器的特点，系统地阐述了不同类型的收集器，并着重详细说明了一些典型收集器的作用机理。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

International Journal of Mining Science and Technology Earth and Planetary Sciences-Geotechnical Engineering and Engineering Geology

CiteScore

19.10

自引率

11.90%

发文量

2541

审稿时长

44 days

期刊介绍： The International Journal of Mining Science and Technology, founded in 1990 as the Journal of China University of Mining and Technology, is a monthly English-language journal. It publishes original research papers and high-quality reviews that explore the latest advancements in theories, methodologies, and applications within the realm of mining sciences and technologies. The journal serves as an international exchange forum for readers and authors worldwide involved in mining sciences and technologies. All papers undergo a peer-review process and meticulous editing by specialists and authorities, with the entire submission-to-publication process conducted electronically.