摘要
为了更好的揭示羟肟酸类捕收剂与白云石作用机理,利用Materials Studio(MS)软件建立羟肟酸捕收剂在白云石矿物表面的吸附模型,通过分子模拟技术模拟计算了真空环境下药剂分子与白云石矿物的相互作用能。从原子尺度揭示了捕收剂在白云石浮选中的捕收机理,研究表明吸附能的差异是导致捕收剂选择性捕收的根本原因。
In order to better reveal the mechanism of interaction between hydroxyloxime acid collectors and dolomite,we used Materials Studio(MS) software to establish the adsorption model of hydroxamic acid collectors on the surface of dolomite mineral,and calculated the interaction energy between the molecules of the collectors and the dolomite mineral in vacuum environment by using molecular simulation technology. We revealed the collecting mechanism of collectors in dolomite flotation on the atomic scale. The research showed that the difference of adsorption energy was the root cause of the selective collecting of collectors.
作者
易雕
王雪
YI Diao;WANG Xue(Guizhou Academy of Testing and Analysis,Guiyang 550002,China)
出处
《贵州科学》
2020年第4期67-70,共4页
Guizhou Science
关键词
羟肟酸
捕收剂
白云石
作用机理
分子模拟
hydroximic acid
collector
dolomite
mechanism of action
molecular simulation