萤石矿物阴离子型捕收剂的量子化学研究  

Quantum chemistry study on anionic collector of the fluorite mineral

作　　者：王文才 王鹏 孙盛[2] 赵永岗[2] 王其伟[3] WANG Wencai;WANG Peng;SUN Sheng;ZHAO Yonggang;WANG Qiwei(Mining Research Institute, Inner Mongolia University of Science and Technology, Baotou 014010, China;Baiyun Obo Iron Mine, Baotou Iron and Steel (Group) Company, Baotou 014080, China;Baotou Research Institute of Rare Earth, Baotou 014010, China)

机构地区：[1]内蒙古科技大学矿业研究院,内蒙古包头014010 [2]包钢(集团)公司白云鄂博铁矿,内蒙古包头014080 [3]包头稀土研究院,内蒙古包头014010

出　　处：《内蒙古科技大学学报》2020年第4期319-323,共5页Journal of Inner Mongolia University of Science and Technology

基　　金：包头稀土高新区科技局科技创新服务载体基金资助项目(20191213);包钢(集团)公司白云鄂博铁矿研究基金资助项目(SA010020190903B001);包头市科技计划基金资助项目(2019Z3004-8).

摘　　要：为了探究萤石矿物阴离子型捕收剂与萤石相互作用的内在机理,以常见的油酸、环烷酸、氧化石蜡皂以及十二烷基硫酸钠为研究对象,采用量子化学方法,对比了4种捕收剂捕收性能的强弱,分析了捕收剂分子与萤石表面Ca2+的相互作用机理.结果表明:药剂OPS与Ca2+结合更加紧密,4种捕收剂的捕收性能由大到小依次为OPS>OA>NA>SDS.Taking common oleic acid,naphthenic acid,and oxidized paraffin soap and sodium lauryl sulfate as the research objects,using quantum chemistry methods,the parameters such as Mulliken charge,frontline orbit energy and binding energy were obtained through calculations to explore the internal mechanism of the interaction between anionic collectors and fluorite.The strengths of the four collectors’collection performance were compared.The interaction mechanism between collector molecules and Ca2+on the surface of fluorite was analyzed.The results showed that the combination of OPS and Ca2+was tighter with the highest occupied orbital energy and binding energy,and that the collection performance of the four agents was OPS>OA>NA>SDS in descending order.

关 键 词：萤石 捕收剂 量子化学 捕收性能 

分 类 号：TD91[矿业工程—选矿]