离子液体微环境强化盐湖锂在两相介质界面处的分离机制

针对溶剂萃取法分离我国盐湖锂存在的环境污染、设备腐蚀、易乳化等问题，本项目以开发离子液体(ILs)微环境强化锂分离的绿色萃取新工艺为目标，围绕锂离子在两相介质界面处的分离机制等关键科学问题，采用密度泛函方法和复杂电解质体系相平衡热力学模型相结合的方法，确定不同卤水体系中含锂配合物的微观结构；研究ILs与Li+之间的吸附、配位能力，设计合成对Li+具有优先选择性的多配体功能化ILs，并形成高效分离Li+的离子液体分子设计方法；揭示两相界面处Li+的扩散与络合机制对其在两相中分配与迁移的影响，为建立离子液体微环境强化Li+分离的绿色萃取新技术提供科学的理论基础。

Based on the problems of extraction method for lithium separation from salt lake, such as the pollution of environmental pollution, severe equipment corrosion and emulsification, this program is aim to develop the green extraction technology for lithium separation enhanced by the micro-environment of ionic liquid (ILs). In terms of the key scientific problem of separation mechanisms of Li+ at the interface between aqueous and organic phases, through the method of density function theory and phase equilibria thermodynamic model of complex electrolyte systems combination, the micro-structure of compound containing Li+ in different electrolyte systems will be determined. Through the study on the abilities of adsorption and coordination between Li+ and ILs, the task specific ILs with priority selectivity for Li+ will be designed and synthesized, as well as the molecular design method of ILs with high separation efficiency for Li+ will be established through the methods of experiment, characterization and modeling. Finally, the effect of diffusion and complexation mechanisms of Li+ at the interface between aqueous and organic phases on its distribution and transfer processes in the two phases will be revealed. All of these can provide the basis of scientific theory to the development of green technology for Li+ extraction separation enhanced by the micro-environment of ILs.