摘要
以离子液体1-丁基-3-甲基咪唑二氰胺([BMIM][DCA])为萃取剂,采用流程模拟和机理分析两种方法,对离子液体用于四氢呋喃(THF)-乙醇-水三元共沸物的分离进行了研究。通过COSMO-RS理论,以选择性为性能指标筛选出合适的离子液体[BMIM][DCA],并且以[BMIM][DCA]为萃取剂,在适合的操作条件下建立了萃取精馏过程,模拟结果表明THF、乙醇和水的质量分数都接近1。通过对[BMIM][DCA]和三种溶质的σ-谱图分析,发现[BMIM][DCA]可分别与三种溶质形成更强的氢键,从而打破三种溶质间的固有氢键,进而消除它们的共沸现象。
Using ionic liquid 1-butyl-3-methylimidazolium dicyandiamide([BMIM][DCA])as extractant,the separation of tetrahydrofuran(THF)-ethanol-water ternary azeotrope was studied by process simulation and mechanism analysis.Based on COSMO-RS theory,suitable ionic liquid[BMIM][DCA]was selected with selectivity as performance index,and the extractive distillation process was established with[BMIM][DCA]as extractant and suitable operating conditions.The simulation results showed that the mass fraction of THF,ethanol and water was close to 1.Through the analysis ofσ-profiles of[BMIM][DCA]and three solutes,it is found that[BMIM][DCA]can form stronger hydrogen bonds with three solutes respectively,thus breaking the inherent hydrogen bonds between the three solutes and eliminating their azeotropy.
作者
李文秀
张羽
曹颖
丁忠瀚
赵思雨
张弢
LI Wenxiu;ZHANG Yu;CAO Ying;DING Zhonghan;ZHAO Siyu;ZHANG Tao(School of Chemical Engineering,Shenyang University of Chemical Technology,Shenyang 110142,Liaoning,China)
出处
《化工学报》
EI
CAS
CSCD
北大核心
2020年第4期1676-1682,共7页
CIESC Journal
基金
国家自然科学基金项目(21576116)。
关键词
离子液体
共沸物
萃取精馏
模拟
机理
ionic liquid
azeotrope
extractive distillation
simulation
mechanism
