十二胺捕收剂在三种不同矿物表面吸附的分子动力学模拟

Molecular Dynamics Simulation of Adsorption Behavior of Dodecylamine on Three Different Mineral Surfaces

采用Materials Studio中的Forcite模块,对水分子和十二胺捕收剂分子在锂云母、长石和石英三种不同矿物表面的吸附过程进行了分子动力学模拟研究,分析了吸附前后水分子在三种矿物表面的浓度分布。结果表明,三种矿物均具有类似的亲水特性,水分子在三种不同矿物表面吸附没有选择性。相反,比较了十二胺捕收剂在锂云母、长石和石英三种不同矿物表面的吸附情况,结果表明十二胺捕收剂能够选择性吸附在锂云母表面,从而改变其表面亲水性,达到与长石、石英分离的目的,阐明了十二胺捕收剂的吸附对于锂云母表面的亲水性改变极为有效。从理论上通过模拟接触角的变化,验证了烷基胺捕收剂浮选锂云母的这一过程。

Molecular dynamics simulations of adsorption of water and dodecylamine(DDA)collector on lepidolite,feldspar and quartz are investigated by Forcite module in Materials Studio.The concentration distribution of water molecules on surface of three minerals before and after adsorption was analyzed.The results showed that all three minerals had similar hydrophilic properties and water molecules had no selectivity on surface of three different minerals.In contrast,the adsorption of dodecylamine collector on surfaces of three minerals was compared.It was clarified that the adsorption of dodecylamine collector was very effective in changing the hydrophilicity of the surface of lepidolite,thus lepidolite can be effectively flotated from these minerals by dodecylamine collector.Through the change of contact angle,the flotation process of lepidolite by alkylamine collector was theoretically verified in this study.