Research on Aluminum Removal Mechanism from Crude Zirconium Tetrachloride by Zinc-Ion Lewis Acid Molten Salt System AITranslate

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Chinese Library Classification Number:TF841.4[冶金工程—有色金属冶金]

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In order to reduce the content of Al impurity in the crude ZrCl₄ prepared by traditional boiling chlorination process and meet the accuracy requirement of high-quality zirconium precursor,the zinc-ion Lewis acid molten salt system suitable for high efficiency removal of Al from crude ZrCl₄ was developed.As a result,the content of Al impurity is reduced from 0.16%to 0.001%.According to the reaction of Lewis acid molten salt system with Al³⁺in crude ZrCl₄,the binding amount and binding energy of Al³⁺in composite salts were analyzed by CASTEP module based on density functional theory,and then the Al re-moval mechanism from crude ZrCl₄ was established.The decrease of the binding amount of Al³⁺and the increase of the binding energy contribute to the separation of Al³⁺from the composite salts,thus reducing the Al content in the crude ZrCl₄.It is proved that the zinc-ion Lewis acid molten salt system can effective-ly remove Al from the crude ZrCl₄ by experiments and theoretical calculation.This study can provide a new idea and theoretical basis for the preparation of high-quality nuclear-grade zirconium.