摘要
为深入研究胶磷矿-石英浮选分离机制,揭示胶磷矿、石英表面电子性质及与浮选药剂作用原理,采用Material Studio软件对氟磷灰石(001)面与石英(001)面电子性质及胺类捕收剂吸附作用进行研究。结果表明,氟磷灰石中氧原子及钙原子活性较大,同时表面Ca原子正电荷较大,Ca3d态在价带部分表现出较强的金属活性,导致其在参与化学反应时不易与阳离子捕收剂作用;而石英表面O原子负电荷较大,O2p态在费米能级处贡献最大,表面O原子活性较强,其在参与化学反应时易与阳离子捕收剂作用。两种矿物表面原子电荷及电子态密度差异是其与药剂相互作用差异的主要原因;胺类捕收剂对石英结合能力明显大于氟磷灰石,对石英结合能大小分别为醚胺类>多胺类>烷基伯胺类。
The surface properties of fluorapatite（001） surface and quartz （001） surface as well as the effect of a-mine collectors on them were investigated by using Material Studio to study the flotation separation mechanism of collophane and quartz deeply and reveal the effect mechanism of collectors on collophane and quartz. Results indicates that the O atom and Ca atom in collophane shows a strong activity in chemical reaction and the Ca atom also shows a certain metal activity due to the large positive charge, while the O atom in quartz shows a strong activity due to the large negative charge and the almost all contribution to Fermi level energy, which indicates that the quartz is much easier to collect with the cation collectors than collophane. The difference of atomic charge and DOS directly influences the effect of two minerals with collectors. The adsorption energy for amine collectors with quartz are quite larger than that with collophane, and the collect ability for quartz from large to small are ether a-mine, polyamines and alkyl amine.
出处
《贵州大学学报（自然科学版）》
2017年第6期21-28,共8页
Journal of Guizhou University:Natural Sciences
基金
国家自然科学基金项目资助(51474078)
关键词
氟磷灰石
石英
表面电子性质
态密度
胺类捕收剂
fluorapatite
quartz
surface electronic properties
density of status
amine collector
