文献类型：期刊文献

中文题名：醇胺药剂与石英界面作用的分子动力学模拟

英文题名：Molecular Dynamics Simulation of Interfacial Interaction between Ammonium/Alcohol Flotation Reagents and Quartz

作者：刘臻[1];孙泽[1];于建国[1]

机构：[1]华东理工大学国家盐湖资源综合利用工程技术研究中心,上海200237

年份：2015

卷号：41

期号：1

起止页码：9

中文期刊名：华东理工大学学报（自然科学版）

外文期刊名：Journal of East China University of Science and Technology

收录：CSTPCD;;Scopus;北大核心:【北大核心2014】；CSCD:【CSCD2015_2016】；

语种：中文

中文关键词：分子动力学;模拟;吸附;浮选药剂

外文关键词：molecular dynamics; simulation; adsorption; flotaion reagents

摘要：采用分子动力学方法模拟研究了醇胺浮选药剂十二胺、十二醇及其混合物与石英的界面作用,得到吸附稳定后的团簇形貌及水分子排布,发现十二胺可在石英表面形成稳定的柱状半胶束,而十二醇则不与石英表面发生作用,悬浮在水相之中。对混合药剂而言,十二醇可以通过疏水性碳链间作用黏聚在十二胺半胶束上方,但不改变胶束化过程,该现象可调节矿物表面的zeta电位,提高浮选效率。研究发现两种药剂均不能吸附在表面羟基化的石英上,故在低pH条件下,它们均不能有效浮选石英。
The interfacial interaction between quartz and flotation reagents,such as dodecylammonium（DDA）,dodecylalcohol,and their mixture,was investigated by molecular dynamics（MD）simulation.The morphologies of adsorbed surfactant aggregates and water atomic density profiles were obtained,suggesting that DDA can adsorb on the quartz surface and form rod-like hemimicelles,while dodecylalcohol dispersed in water without interaction with quartz surface.Simulation results of the mixture indicate that dodecylalcohol can bind with DDA hemimicelle by the hydrophobic attractions among hydrophobic tails without any change on the micellization of DDA.It is useful for adjusting the zeta potential of minerals and improving the flotation efficiency. Moreover,both of those flotaion reagents cannot adsorb on the hydroxylated quartz surface,and thus are unsuitable for the flotation of quartz at low pH.