硫化矿物浮选剂电子结构与浮选性能相关的量子化学研究

QUANTUM CHEMISTRY RESEARCH ON CORRELATION BETWEEN ELECTRONIC STRUCTURE AND COLLECTING PROPERTIES OF SULPHIDE MINERAL FLOTATION REAGENTS

浮选剂的结构与浮选性能的关系的研究,对于寻找和指导合成新的高效浮选剂具有重要意义。本文用量子化学的CNDO/2方法计算了一系列硫化矿物浮选药剂的电子结构,讨论了含硫捕收剂中硫的作用,硫原子周围不同化学环境对捕收性能的影响以及浮选剂中非极性基团对极性基团捕收能力的影响。解释了一些基本的浮选事实。

It is necessary for finding more effective flotation reagents to research the correlation between structure of flotation reagent and its collecting properties. Thus in this paper the electronic structure of a series of sulphide mineral collector was calculated with CNDO/2 method in quantum chemistry. On this basis, the role played by sulphur atoms of polar group of collector in sulphide flotation was investigated. Moreover, the contribution of other atoms around sulphur atom to collection properties and the...