基于绿色低共熔溶剂CS-1的TATB新型纯化方法与机理

The Method and Mechanism of TATB Purification Based on Green Solvent

为了解决TATB因溶解性差不适用于常规纯化方法的问题,采用反萃取技术,选用对TATB具有良好溶解性的新型绿色低共熔溶剂(CS-1),以水为反萃取剂,进行了TATB的纯化;对比了该法与其它纯化方法的不同,系统优化了该法中反萃取剂加入量、洗涤次数及干燥方式等条件对TATB的纯化影响,构建了纯度为(99.7±0.2)%,回收率为92.5%的TATB高效分离与绿色纯化方法。研究同时采用光谱过程监测和理论计算模拟,基于CS-1溶剂的TATB纯化动力学,探讨了基于氢键竞争和络合物解离的TATB纯化机制。

Traditional methods are difficult for the purification of TATB due to its poor solubility.Green deep eutectic solvent(CS-1)displays good solubility toward TATB,so CS-1 was used as the solvent with water as back extractant to develop a new purification method for TATB in this study.The difference between this method and other methods were investigated for the purification of TATB.Purification conditions including the amount of back extractant,washing times and drying methods were com prehensively optimized to improve the purity of TATB.Finally,a new method has been established for highly efficient separation and green purification of TATB.Through this method,high-purity TATB was obtained with the purity of(99.7±0.2)%and good recovery of 92.5%.Further,spectroscopic monitoring was combined with theoretical simulation to study the kinetics of the purification of TATB,and then a purification mechanism has been proposed,which is based on the dissociation of TATB’s complexes through the competition of hydrogen bonding between CS-1 and water.