金属锂在LiCl-KCl熔盐体系中溶解过程机理数据集

金属锂在熔盐中的溶解是导致电流效率低下的一个重要原因，因此深入研究金属锂在LiCl-KCl二元熔盐体系中的溶解过程，可为优化电解锂工艺、提高电流效率提供理论基础。首先利用透明电解槽对金属锂的电解过程进行可视化研究，观察了金属锂在LiCl-KCl熔盐体系中的溶解现象。在无外加电流的条件下，采用等温饱和法研究了不同温度和电解质配比对金属锂在熔盐中的溶解度的影响，测量了熔盐的剪切粘度。其次为进一步研究电解条件下金属锂的溶解过程，采用电化学方法研究了电流密度、电解质配比、温度、极化、LiF的添加对金属锂溶解速率的影响。同时，研究了LiCl-KCl熔盐体系中锂离子在W电极上的电化学行为以及金属雾形成的条件最后为研究金属锂在熔盐中的溶解机理，通过量子化学计算筛选出了纯LiCl体系、LiCl-KCl 二元体系中可能存在的稳定的碱金属络合物，并对可能存在的离子反应进行了热力学计算，预测了LiCl-KCl二元体系熔盐中离子成分含量分布。针对Li与LiCl-KCl二元体系熔盐中离子间的相互作用进行量子化学计算。

The dissolution of metallic lithium in molten salts is a critical cause of low current efficiency. Therefore, an in-depth investigation into the dissolution process of metallic lithium in the LiCl-KCl binary molten salt system can provide a theoretical basis for optimizing lithium electrolysis processes and improving current efficiency. First, a visualization study of the metallic lithium electrolysis process was conducted using a transparent electrolytic cell, and the dissolution behavior of metallic lithium in the LiCl-KCl molten salt system was observed. Under the condition of no external current, the isothermal saturation method was adopted to study the effects of different temperatures and electrolyte ratios on the solubility of metallic lithium in molten salts, and the shear viscosity of the molten salts was measured. Secondly, to further investigate the dissolution process of metallic lithium under electrolysis conditions, electrochemical methods were used to study the effects of current density, electrolyte ratio, temperature, polarization, and the addition of LiF on the dissolution rate of metallic lithium. Meanwhile, the electrochemical behavior of lithium ions on a tungsten (W) electrode in the LiCl-KCl molten salt system and the conditions for the formation of metal fog were investigated. Finally, to study the dissolution mechanism of metallic lithium in molten salts, quantum chemical calculations were performed to screen for stable alkali metal complexes that may exist in the pure LiCl system and the LiCl-KCl binary system. Thermodynamic calculations were conducted for possible ionic reactions, and the content distribution of ionic components in the LiCl-KCl binary molten salt system was predicted. Additionally, quantum chemical calculations were carried out for the interactions between Li and ions in the LiCl-KCl binary molten salt system.

搜集汇总

背景与挑战

背景概述

该数据集研究了金属锂在LiCl-KCl熔盐体系中的溶解过程机理，通过多种实验和计算方法探讨了溶解现象、影响因素及溶解机理，为优化电解锂工艺提供了理论基础。数据集包含3.26MB的数据文件，由华东理工大学创建并发布。