Prediction of CO2 chemical absorption isotherms for ionic liquid design by DFT/COSMO-RS calculations
Ionic liquids with an aprotic heterocyclic anion (AHA-ILs) is a promising family of compounds to overcome the challenge of CO2 capture. In this work, a computational methodology has been developed to predict CO2 chemical absorption isotherms in AHA-ILs without the need of experimental data. This met...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-12-01
|
| Series: | Chemical Engineering Journal Advances |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666821120300387 |