分子动力学模拟在矿物浮选中的研究进展  

Research progress of molecular dynamics simulation in mineral flotation

作　　者：徐芮 孙宁 孙伟[1,2] 韩海生[1,2] 唐鸿鹄[1,2] 王丽[1,2] XU Rui;SUN Ning;SUN Wei;HAN Haisheng;TANG Honghu;WANG Li(School of Minerals Processing and Bioengineering,Central South University,Changsha 410083,China;Key Laboratory of Hunan Province for Clean and Efficient Utilization of Strategic Calcium-containing Mineral Resources,Central South University,Changsha 410083,China)

机构地区：[1]中南大学资源加工与生物工程学院,湖南长沙410083 [2]中南大学战略含钙矿物资源清洁高效利用湖南省重点实验室,湖南长沙410083

出　　处：《中南大学学报（自然科学版）》2024年第1期1-19,共19页Journal of Central South University:Science and Technology

基　　金：国家自然科学基金面上项目(52274285,51974365)。

摘　　要：浮选药剂是实现矿物选择性分离的关键,尤其是组合药剂在矿物浮选中应用广泛。药剂性能的发挥与其在三相界面的微观吸附结构及组装行为密切相关,从微观层面探索药剂的作用机制成为近年来的研究热点。随着高性能计算的飞速发展,分子动力学模拟逐渐成为研究矿物浮选行为的有利工具。本文以硅酸盐矿物浮选体系为例,论述近年来组合捕收剂在硅酸盐浮选分离中的应用,阐述研究者对药剂在水溶液体系、气-水界面及矿物-水界面的分子动力学模拟研究进展,指出目前模拟研究中存在的问题,并对分子动力学在矿物浮选中的应用发展前景进行展望。Flotation reagents are the key to achieving selective separation of minerals,and in particular,mixed reagents are widely used in mineral flotation.The performance of flotation reagents is closely related to the microscopic adsorption structure and assembly behavior of the reagents at the three-phase interface.Exploring the interaction mechanism of reagents from the microscopic level has become a hot spot for scholars in recent years.With the rapid development of high-performance computing,molecular dynamics simulation has gradually become an effective tool for studying mineral flotation behavior.The application of combined reagents was discussed in silicate flotation separation in recent years,the progress of molecular dynamics simulation of reagents in aqueous solution system,gas-water interface and mineral-water interface was highlighted,the problems in the current simulation studies were pointed out,and the application prospect of molecular dynamics in mineral flotation was discussed.

关 键 词：分子动力学模拟 浮选 界面 组合捕收剂 

分 类 号：TD91[矿业工程—选矿]