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

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.