中文摘要：

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,

英文摘要：

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.