The key factors and mechanism of lithium extraction using tributyl phosphate(TBP) as extractant, kerosene as diluent, and FeCl₃ as co-extractant were investigated. The theoretical Raman spectra of FeCl₃ and FeCl₄^- were calculated by DFT. The key factors MgCl₂, FeCl₃ and TBP were studied. The results suggested the increase of MgCl₂ concentration was conducive to extraction lithium and the influence of Cl^- was greater than Mg²⁺. Fe³⁺ and Cl^- were the optimal central ions and ligands for the formation of monovalent anions. The concentration of TBP should not too much for improving the separation effect of Li⁺ and Mg²⁺.

中文翻译：

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TBP-FeCl ₃萃取系统萃取锂的关键因素及机理研究

研究了磷酸三丁酯（TBP）作为萃取剂，煤油作为稀释剂，FeCl ₃作为共萃取剂萃取锂的关键因素和机理。的FeCl的理论拉曼光谱₃和的FeCl ₄ ^- ，通过DFT计算。研究了关键因素MgCl ₂，FeCl ₃和TBP。结果表明氯化镁的增加₂浓度有利于提取锂和Cl的影响^-为除Mg更大²⁺。铁³⁺和Cl ^-是形成一价阴离子的最佳中心离子和配体。为了提高Li ⁺和Mg ²⁺的分离效果，TBP的浓度不应太高。