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COSMO-based models for predicting the gas solubility in polymers
- Source :
- Green Energy & Environment, Vol 6, Iss 3, Pp 311-313 (2021)
- Publication Year :
- 2021
- Publisher :
- KeAi Communications Co., Ltd., 2021.
-
Abstract
- We like to highlight the extension of COSMO-based models (COSMO RS-FV and COSMO SAC-FV) to the prediction of gas solubility in polymers, including polymerized ionic liquids (PILs) for the first time. To verify the applicability of COSMO-based models, the predicted values for gas solubility in both common polymers (CH4/N2 + PEG) and PILs (CO2 + P[MATMA][BF4]/P[VATMA][BF4]) were evaluated based on previous experimental data. It was confirmed that the COSMO-RS (Klamt) model performs better than the COSMO-SAC model for common polymers, whereas the COSMO-RS (ADF-Lei 2018) exhibits the best predictions for PILs. The moderately accurate predictions of COSMO-based models demonstrate the high potential for predicting gas solubility in polymers.
Details
- Language :
- English
- ISSN :
- 24680257
- Volume :
- 6
- Issue :
- 3
- Database :
- Directory of Open Access Journals
- Journal :
- Green Energy & Environment
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.62b745c069ad4cc48351c7615dba8e26
- Document Type :
- article
- Full Text :
- https://doi.org/10.1016/j.gee.2021.03.009