Acta Chimica Sinica ›› 2004, Vol. 62 ›› Issue (2): 153-159. Previous Articles     Next Articles

巯基苯并类浮选剂的浮选作用机理及其分子设计

杨刚1,2, 杨高文2, 徐桦2, 侯文华1   

  1. 1. 南京大学化学化工学院, 南京, 210093;
    2. 常熟理工学院化学系, 常熟, 215500
  • 投稿日期:2003-01-07 修回日期:2003-09-24 发布日期:2014-01-26
  • 通讯作者: 杨刚,E-mail:mlyangml@sohu.com E-mail:mlyangml@sohu.com
  • 基金资助:
    江苏省教育厅基金(No.00KJB150010)资助项目.

Flotation Mechanism and Molecular Design of Mercaptobenzo Flotation Reagents

YANG Gang1,2, YANG Gao-Wen2, XU Hua2, HOU Wen-Hua1   

  1. 1. School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093;
    2. Department of Chemistry, Institute of Changshu Technology, Changshu 215500
  • Received:2003-01-07 Revised:2003-09-24 Published:2014-01-26

The electronic structure of the galena surface and absorbing models of flotation reagents on the galena surface are studied using molecular dynamics simulation program Materials Studio and empirical quantum program MOAN,which can analyze the interaction of molecular fragments and molecular orbital component. The flotation mechanism is reasonably explained, and several electronic transfer styles of flotation reagents with the galena surface are discussed. The p-πconjugate system of mercaptobenzo flotation reagent is very important in flotation, and the molecular number of monolayer saturation absorbing in unit area of galena surface calculated is in correspondences with the experimental value. Using three kinds of functional groups, which have different conjugate and inductive properties, and different substitution of the H atom of the benzene ring of flotation reagent, the activity and selectivity of the flotation regents change greatly. These work help us to understand the high collecting and selecting properties of flotation, and guide us to synthesize high efficient flotation reagents. The flotation experimental results are in accord with the results of computation.

Key words: flotation mechanism, galena surface, molecular design of flotation reagents, quantum chemistry