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.
关键词
路易斯酸熔盐/锌离子/粗四氯化锆/提纯/除铝/结合能/纯化机制
Key words
Lewis acid molten salt/zinc ion/crude zirconium tetrachloride/purification/aluminum removal/binding energy/purification mechanism
维普
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