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| 1 | Effect of different concentrations of surfactant on the wettability of coal by molecular dynamics simulation显示文摘Anionic surfactant sodium dodecyl benzene sulfonate(SDBS)at varying concentrations was selected to investigate the influence on the wettability of Zhaozhuang Coal by molecular dynamics simulation.Six groups of water/surfactant/coal systems with different concentrations were constructed.The influence of surfactant with different concentrations on the wettability of coal was concluded by analyzing various properties from the energetic behaviors to the dynamic characteristics.The results show that the interfacial tension decreases sharply and then rises slowly with the increase of SDBS surfactant concentration,obtaining that surfactants can obviously reduce the interfacial tension.The surfactant molecules could be detected at the water/coal interface through analyzing the system’s relative concentration distribution.In addition,the difference in the wettability of surfactants on coal surfaces is caused by the spatial distribution differences of alkyl chains and the benzene ring of the surfactant molecules.And the negative interaction energy between SDBS and the coal surface indicates that adsorption process is spontaneous.Furthermore,it is of great practical significance for improving the dust reduction effect and reducing the disaster of coal dust by exploring the effects of surfactant molecules on the wettability of coal. | Junqing Meng Feifei Yin Shichao Li Ruquan Zhong Zeyuan Sheng Baisheng Nie | 2019 | International Journal of Mining Science and Technology2019，29，4： | 20 |
| 2 | 巯基苯并咪唑类捕收剂的设计合成与性能显示文摘采用密度泛函DFT/B3LYP方法,通过对巯基苯并噻唑类捕收剂(MBT)的单点能、荷电分布以及前线轨道等量子化学参数的计算,研究了2-巯基苯并噻唑类捕收剂的电子转移能力ΔN与取代基团的关系.结果表明,取代基团碳链增加、供电性增强,分子的HOMO轨道能量升高,电子转移能力增强,据此设计了11种巯基苯并咪唑(MBI)类新型捕收剂,合成了其中3种理论活性较高的化合物EMBI,PMBI和BMBI,并通过药剂对方铅矿、闪锌矿和黄铁矿的吸附行为进行表征,对矿物的吸附能力由强到弱次序为:方铅矿,闪锌矿,黄铁矿;矿物对3种捕收剂的吸附量随取代基团的增加而增大,由大到小次序为:BMBI,PMBI,EMBI,与理论计算结果一致. | 秦伟 徐盛明 解强 | 2014 | 中国矿业大学学报2014，43，2： | 6 |
| 3 | 某含银铅锌硫化矿石工艺矿物学研究显示文摘采用X射线衍射(XRD)和扫描电镜-能谱(SEM-EDS)等方法研究某地含银铅锌矿的工艺矿物学性质,查清矿石的化学组成,并对该区矿石中银矿物的组成、嵌布特征和赋存状态进行分析,通过单浮选试验确定最佳磨矿细度。研究结果表明,方铅矿和闪锌矿为银的主要载体矿物,且银矿物以较细的粒度嵌布于方铅矿和闪锌矿中,磨矿细度以-74μm占75%为最佳,该研究可为含银铅锌矿的综合回收提供指导。 | 秦伟 徐盛明 解强 王学军 | 2013 | 有色金属工程2013，3，3： | 6 |
| 4 | Insight into mineral flotation fundamentals through the DFT method显示文摘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. | Weiyong Cui Jianhua Chen | 2021 | International Journal of Mining Science and Technology2021，31，6： | 4 |
| 5 | 含砷硫铁矿浮选分离研究现状与进展显示文摘黄铁矿是地壳中分布最广的硫铁矿,毒砂常与其密切共生,它们的结构与表面化学性质相似,不易分离,故产出的黄铁矿精矿中常含有大量毒砂,会严重影响后续化工制酸产品质量,且污染环境。鉴于矿产资源高效利用与环境保护,毒砂与黄铁矿的分离与综合回收利用具有重要意义。浮选是硫砷矿物分离的主要工艺,对硫砷矿物浮选工艺与药剂进行总结,阐述了近年来硫砷矿物浮选研究现状,展望了未来硫砷矿物浮选分离的发展方向。 | 黄宇松 郑永兴 宁继来 胡盘金 包凌云 | 2021 | 矿冶2021，30，2： | 3 |
| 6 | 新型铜硫浮选分离硫氨酯捕收剂的合成及吸附机理显示文摘设计合成一种新型铜硫浮选分离捕收剂:O-异丙基-N,N-二乙基硫代氨基甲酸酯(IPDTC)。先利用密度泛函理论计算IPDTC的电子结构。结果表明,IPDTC比O-异丙基-N-乙基硫代氨基甲酸酯(Z-200)具有更高的最高占据分子轨道能量和更低的电负性。根据相互作用能判据预测IPDTC具有较强的捕收能力。浮选试验表明,IPDTC对黄铜矿和黄铁矿的捕收能力强于Z-200。通过表面张力、吸附量、XPS、FTIR和zeta电位等方法研究捕收剂的浮选机理。研究发现,IPDTC可降低溶液表面张力。IPDTC在黄铜矿表面的吸附能力强于黄铁矿,这与浮选试验结果相吻合。FTIR、zeta电位和XPS结果表明,IPDTC通过形成Cu—S—C键在黄铜矿表面发生较强的吸附作用,但在黄铁矿表面的吸附作用较弱。 | 曹飞 孙德四 邱仙辉 周德志 张行荣 孙传尧 | 2022 | Transactions of Nonferrous Metals Society of China2022，32，8： | 1 |
| 7 | 螯合浮选药剂的研究进展显示文摘本文简单介绍了近年螯合浮选剂作为捕收剂、调整剂以及与其他药剂组合在硫化矿、氧化矿等重要金属矿浮选中的应用,并通过对近年螯合剂的使用情况分析提出了螯合浮选剂的发展方向。 | 吴琼 郭晓峰 史小琴 刘强 裴建 孙勇 | 2015 | 化工矿物与加工2015，44，12： | 0 |
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