捕收剂DCZ-2在石英表面的吸附行为及作用机理

金属矿山 ›› 2016, Vol. 45 ›› Issue (12): 113-117.

捕收剂DCZ-2在石英表面的吸附行为及作用机理

乘舟越洋，朱一民，骆斌斌，郭文达，韩跃新，李艳军

东北大学资源与土木工程学院，辽宁沈阳 110819

出版日期:2016-12-15 发布日期:2017-02-16
基金资助:
基金项目：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)。

Adsorption Behavior and Mechanism of Quartz with Collector DCZ-2

Cheng Zhouyueyang，Zhu Yimin，Luo Binbin，Guo Wenda，Han Yuexin，Li Yanjun

College of Resource and Civil Engineering，Northeastern University,Shenyang 110819，China

Online:2016-12-15 Published:2017-02-16

摘要/Abstract

摘要： 借助Material Studio 8.0分子模拟软件，采用COMPASS Ⅱ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<pH<10时，石英单矿物浮选回收率均大于96%，随着pH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 kJ/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<pH<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pH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。

关键词: 醚胺型捕收剂, 氢键, 吸附机理

Abstract: College of Resource and Civil Engineering，Northeastern University,Shenyang 110819，China 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<pH<10，the recovery of quartz for single mineral is over 96%，when pH increased，the recovery of quartz decrease;②The adsorption energy of collector DCZ-2 on the surface of quartz is -505.75 kJ/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 on 4<pH<7.5，and hydrogen adsorption occurred between DCZ-2 and quartz when the pH is increase.

Key words: Ether-amine collector, Hydrogen bond, Adsorption mechanism

乘舟越洋, 朱一民, 骆斌斌, 郭文达, 韩跃新, 李艳军. 捕收剂DCZ-2在石英表面的吸附行为及作用机理[J]. 金属矿山, 2016, 45(12): 113-117.

CHENG Zhou-Yue-Yang, ZHU Yi-Min, LUO Bin-Bin, GUO Wen-Da, HAN Yue-Xin, LI Yan-Jun. Adsorption Behavior and Mechanism of Quartz with Collector DCZ-2[J]. Metal Mine, 2016, 45(12): 113-117.

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