捕收剂DCZ-2在石英表面的吸附行为及作用机理  

Adsorption Behavior and Mechanism of Quartz with Collector DCZ-2

作　　者：乘舟越洋 朱一民[1] 骆斌斌[1] 郭文达[1] 韩跃新[1] 李艳军[1] Cheng Zhouyueyang Zhu Yimin Luo Binbin Guo Wenda Han Yuexin Li Yanjun(College of Resource and Civil Engineering, Northeastern University, Shenyang 110819, China)

机构地区：[1]东北大学资源与土木工程学院,辽宁沈阳110819

出　　处：《金属矿山》2016年第12期113-117,共5页Metal Mine

基　　金：国家自然科学基金项目(编号:51274056;51474055);"十二五"国家科技支撑计划项目(编号:2015BAB15B02);国土资源部基金项目(编号:12120113086600)

摘　　要：借助Material Studio 8.0分子模拟软件,采用COMPASSⅡ力场,并利用密度泛函理论对新型浮选捕收剂DCZ-2在石英表面的吸附过程进行模拟计算,考察DCZ-2分子与石英表面的作用形式。结果表明:1以DCZ-2为捕收剂,4<p H<10时,石英单矿物浮选回收率均大于96%,随着p H值进一步提高,DCZ-2对石英的捕收作用逐渐减弱;2DCZ-2在石英表面的吸附能为-505.75 k J/mol,DCZ-2中N上的H原子与石英表面的O原子所形成氢键平均键长仅为0.177 389 nm,说明捕收剂DCZ-2在石英(101)表面的结合能力较强;34<p H<7.5时,DCZ-2与石英表面间的作用为氢键作用与静电吸附共同作用的结果,当p H值进一步增加时,DCZ-2与石英表面间的作用主要表现为氢键作用。In order to calculate the hydrogen bonds between a new-type collector and α-quartz,,a molecular simulation software Materials Studio 8. 0 with its forcefield COMPASS Ⅱ were used in this experiment. The results illustrates that： 1Use DCZ-2 as a collector,as 4〈p H〈10,the recovery of quartz for single mineral is over 96%,when p H increased,the recovery of quartz decrease; 2The adsorption energy of collector DCZ-2 on the surface of quartz is-505. 75 k J / mol. The average length of hydrogen bonds occurred between DCZ-2 and quartz is 0. 177 389 nm according to the simulation,illustrates the collection of DCZ-2 to quartz is strong; 3Hydrogen adsorption and electrostatic adsorption both occurred between DCZ-2 and quartz on4p H7. 5,and hydrogen adsorption occurred between DCZ-2 and quartz when the p H is increase.

关 键 词：醚胺型捕收剂 氢键 吸附机理 

分 类 号：TD923.13[矿业工程—选矿]