Journal
SEPARATION AND PURIFICATION TECHNOLOGY
Volume 275, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.seppur.2021.119187
Keywords
Ionic liquids; Dichloromethane absorption; COSMO-RS; Process simulation
Categories
Funding
- International (Regional) Cooperation and Exchange of the National Natural Science Foundation of China [21961160744]
- Major Program of National Natural Science Foundation of China [21890764]
- Science Fund for Creative Research Groups of the National Natural Science Foundation of China [21921005]
- Henan Major Science and Technology Project [201300310900]
- Natural Science Foundation of Henan [202300410004]
- Ministry of Science and Technology, Taiwan [1082218-E-002-066-MY3]
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Through multi-scale investigation and optimization using the COSMO-RS model, 1-ethyl-1-methylpiperidinium acetate was identified as the optimal IL for DCM absorption with excellent performance and the lowest operational cost among the studied cases.
Ionic liquids (ILs) have been proposed as potential solvents for absorbing dichloromethane (DCM), while screening a promising IL with high absorption performances from numerous ILs remains challenging. In this work, a framework of multi-scale investigation on DCM absorption using ILs was established. A screening method based on COSMO-RS model that optimized by 79 reported experimental data points was proposed, and the effect of cationic and anionic structures on DCM absorption and the mechanisms were systematically studied combining quantum chemical calculation. Based on the above results, 1-ethyl-1-methylpiperidinium acetate ([C(2)MPi(p)][C1COO]) was determined as the optimal IL for DCM absorption with Henry's Constant of 3.29 kPa. The screened IL was further evaluated through process simulation comparing to the conventional IL and traditional organic solvent. The annual variable operation cost of [C(2)MPi(p)][C1COO]-based process for DCM absorption was the lowest among the studied cases, showing broad prospects in applications.
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