硫氨酯捕收剂的分子设计与功能强化  

Molecular Design and Function Enhancement of Thionocarbamate Collector

作　　者：林奇阳 钟宏[2] 徐志刚 张冬梅 邹潜 LIN Qiyang;ZHONG Hong;XU Zhigang;ZHANG Dongmei;ZOU Qian(Chongqing Kopper Chemical Co.,Ltd.,Chongqing 401220,China;College of Chemistry and Chemical Engineering,Central South University,Changsha 410083,China)

机构地区：[1]重庆康普化学工业股份有限公司,重庆401220 [2]中南大学化学化工学院,长沙410083

出　　处：《有色金属(选矿部分)》2025年第2期96-104,174,共10页Nonferrous Metals(Mineral Processing Section)

基　　金：国家自然科学基金资助项目(52074354)。

摘　　要：随着易选矿物资源的减少和矿物性质的复杂化,高选择性的新型硫化矿捕收剂受到越来越多的关注。硫氨酯类捕收剂作为非离子型捕收剂的典型代表,因其良好的选择性而备受重视。研究以硫氨酯捕收剂为研究对象,基于中心原子配位理论和分子内协同效应,通过在硫氨酯捕收剂分子结构中引入羟基,设计了三种新型羟基硫氨酯捕收剂,并使用NMR表征了其结构,通过单矿物浮选试验和实际矿浮选试验,考察了新型捕收剂对黄铜矿和黄铁矿的浮选行为。此外,采用密度泛函理论(DFT)计算研究了捕收剂的作用机理。结果表明,三种羟基硫氨酯捕收剂都存在类似于顺反异构的两种稳定的异构体,且三种新型羟基硫氨酯捕收剂在黄铜矿的浮选中表现出了较强的捕收能力和选择性。DFT计算结果显示,羟基的引入改变了捕收剂分子的电荷分布,使得分子表面增加了额外的静电相互作用中心和给电子中心,从而强化了捕收剂与矿物表面的相互作用。基于中心原子配位和分子内协同的分子设计方式的进一步推广和拓展,有望促进新型捕收剂和萃取剂等专用表面活性剂的研发,促进相关领域的发展。With the decrease of easy-to-separate mineral resources and the complexity of mineral properties,novel sulfide ore collectors with high selectivity have attracted more and more attention.Thiocarbamate collectors,as a typical representative of non-ionic collectors,have attracted much attention due to their good selectivity.In this study,thiocarbamate collector was taken as the research object.Based on the theory of central atom coordination and intramolecular synergistic effect,three novel hydroxy thionocarbamate collectors were designed by introducing hydroxyl groups into the molecular structure of thionocarbamate collectors,and their structures were characterized by NMR.The flotation behavior of the new collectors for chalcopyrite and pyrite was investigated by single mineral flotation test and actual ore flotation test.In addition,the mechanism of action of the collector was studied by density functional theory(DFT)calculations.The results showed that the three hydroxythiocarbamate collectors had two stable isomers similar to cis-trans isomers,and the three new hydroxythiocarbamate collectors showed strong collecting ability and selectivity in the flotation of chalcopyrite.DFT calculation results showed that the introduction of hydroxyl groups changed the charge distribution of the collector molecules,which increased the additional electrostatic interaction centers and electron donor centers on the molecular surface,thus strengthening the interaction between the collectors and the mineral surface.Further promotion and expansion of molecular design methods based on central atom coordination and intramolecular synergistic effect are expected to promote the development of novel special surfactants such as collectors and extractants,and promote the development of related fields.

关 键 词：硫氨酯 浮选 分子设计 黄铜矿 分子内协同 

分 类 号：TD923[矿业工程—选矿]