LiF-ZrF4熔盐体系离子结构的Raman光谱

Raman Spectroscopy on Ionic Structure of LiF-ZrF4 Molten Salt System

康红光 ¹胡宪伟 ¹赵婉婷 ¹于江玉¹

扫码查看

作者信息

1. 东北大学多金属共生矿生态化冶金教育部重点实验室,辽宁沈阳 110819
折叠

摘要

采用Raman光谱和量子化学计算相结合的方法,研究了803～1086 K下,ZrF4摩尔分数为10％～60％的LiF-ZrF4熔盐体系的离子结构特征及变化规律.研究结果表明:熔体中含有ZrF-5,ZrF2-6,ZrF3-7和ZrF4-8四种络合阴离子团,其中以ZrF3-7和ZrF4-8为主,二者摩尔分数之和高达90％～94％,ZrF-5和ZrF2-6含量较少.在熔盐升温初始阶段,熔盐中发生ZrF3-7与ZrF2-6生成ZrF4-8和ZrF-5的反应(ZrF3-7+ZrF2-6→ZrF4-8+ZrF-5);到达一定温度后,熔盐中发生ZrF4-8与ZrF2-6生成ZrF3-7,ZrF-5和F-的反应(ZrF4-8+ZrF2-6→ZrF3-7+ZrF-5+2F-).随着ZrF4质量分数增加,熔盐中ZrF-5含量增加,ZrF2-6,ZrF3-7和ZrF4-8的含量减少.

Abstract

The Raman spectroscopy and quantum chemistry calculations were employed to analyze the ionic structure and variation rule of the LiF-ZrF4 molten salt system with the molar fraction of ZrF4 ranging from 10％ to 60％ at 803～1086 K. The study identified four complex ions in the molten salts:ZrF-5,ZrF2-6,ZrF3-7,and ZrF4-8 . In the molten salts,ZrF3-7 and ZrF4-8 are the major components,accounting for 90％～94％,while ZrF-5 and ZrF2-6 are present in lower amounts. At the initial stage of temperature increase,a reaction between ZrF3-7 and ZrF2-6 occurs,producing ZrF4-8 and ZrF-5 (ZrF3-7+ZrF2-6 →ZrF4-8+ZrF-5). At a certain temperature,a reaction between ZrF4-8 and ZrF2-6 takes place and produces ZrF3-7,ZrF-5,and F-(ZrF4-8+ZrF2-6 →ZrF3-7+ZrF-5+2F-). With the increase of ZrF4,the amount of ZrF-5 increases,while the amounts of ZrF2-6,ZrF3-7,and ZrF4-8 decrease.

关键词

LiF-ZrF4/络合离子团/离子结构/Raman光谱/量子化学计算

Key words

LiF-ZrF4/complex ions/ionic structure/Raman spectroscopy/quantum chemical calculation

引用本文复制引用

出版年

2024

东北大学学报(自然科学版)

东北大学

东北大学学报(自然科学版)

CSTPCDCSCD北大核心

影响因子：0.507

ISSN：1005-3026

段落导航