辛基羟肟酸与硅酸钠对氟碳铈矿和萤石的浮选效果及量化计算

Flotation effect and quantum chemical calculation of octyl hydroxamic acid and sodium silicate on bastnaesite and fluorite

基于密度泛函理论采用量子化学(DFT/B3LYP)计算,分析了捕收剂辛基羟肟酸(OHA)、抑制剂硅酸钠(SS)与氟碳铈矿、萤石矿物表面暴露金属离子M(Ce^(3+)、Ca^(2+))水解组分的作用机理,并通过浮选试验进行验证。结果表明:OHA与Ce(OH)^(+)_(2)反应生成的Ce(OHA)_(3)络合物结构稳定性最强,SS与Ca^(2+)反应生成的Ca(SS)_(2)络合物结构稳定性最弱。硅酸钠SS优先与萤石表面的Ca^(2+)发生反应,OHA优先与氟碳铈矿表面Ce(OH)^(+)_(2)发生反应。在氟碳铈矿和萤石浮选体系中,辛基羟肟酸对氟碳铈矿捕收能力强于萤石,硅酸钠对萤石抑制能力强于氟碳铈矿。

The mechanism of the interaction between the collector octyl hydroxamic acid(OHA)/inhibitor sodium silicate(SS)and the hydrolyzed components of metal ion M(Ce^(3+),Ca^(2+))exposed on the surface of bastnaesite/fluorite was analyzed using density functional theory and quantum chemistry(DFT/B3LYP)calculation,and verified by flotation test.The results show that the Ce(OHA)_(3) complex formed by the reaction of OHA and Ce(OH)^(+)_(2)has the strongest structural stability,and the Ca(SS)_(2) complex formed by the reaction of SS and Ca^(2+)has the weakest structural stability.Sodium silicate SS preferentially reacts with Ca^(2+)on fluorite surface,while OHA preferentially reacts with Ce(OH)^(+)_(2)on bastnaesite surface.During the flotation system of bastnaesite and fluorite,octyl hydroxamic acid OHA has a stronger collecting capacity for bastnaesite than for fluorite,and sodium silicate SS has a stronger inhibition capacity for fluorite than for bastnaesite.