Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac Model
Thermodynamic principles for the dissolution of gases in ionic liquids (ILs) and the COSMO-SAC model are presented. Extensive experimental data of Henry’s law constants for CO2, N2 and O2 in ionic liquids at temperatures of 280-363 K are compared with numerical predictions to evaluate the accuracy o...
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Polish Academy of Sciences Committee of Chemical and Process Engineering
2017-03-01
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| Series: | Chemical and Process Engineering |
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| Online Access: | http://www.degruyter.com/view/j/cpe.2017.38.issue-1/cpe-2017-0003/cpe-2017-0003.xml?format=INT |
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| author | Jaschik Manfred Piech Daniel Warmuzinski Krzysztof Jaschik Jolanta |
| author_facet | Jaschik Manfred Piech Daniel Warmuzinski Krzysztof Jaschik Jolanta |
| author_sort | Jaschik Manfred |
| collection | DOAJ |
| description | Thermodynamic principles for the dissolution of gases in ionic liquids (ILs) and the COSMO-SAC model are presented. Extensive experimental data of Henry’s law constants for CO2, N2 and O2 in ionic liquids at temperatures of 280-363 K are compared with numerical predictions to evaluate the accuracy of the COSMO-SAC model. It is found that Henry’s law constants for CO2 are predicted with an average relative deviation of 13%. Both numerical predictions and experimental data reveal that the solubility of carbon dioxide in ILs increases with an increase in the molar mass of ionic liquids, and is visibly more affected by the anion than by the cation. The calculations also show that the highest solubilities are obtained for [Tf2N]ˉ. Thus, the model can be regarded as a useful tool for the screening of ILs that offer the most favourable CO2 solubilities. The predictions of the COSMOSAC model for N2 and O2 in ILs differ from the pertinent experimental data. In its present form the COSMO-SAC model is not suitable for the estimation of N2 and O2 solubilities in ionic liquids. |
| format | Article |
| id | doaj-art-af8f2a66696a4e839a01827b5cd38959 |
| institution | OA Journals |
| issn | 2300-1925 |
| language | English |
| publishDate | 2017-03-01 |
| publisher | Polish Academy of Sciences Committee of Chemical and Process Engineering |
| record_format | Article |
| series | Chemical and Process Engineering |
| spelling | doaj-art-af8f2a66696a4e839a01827b5cd389592025-08-20T01:55:46ZengPolish Academy of Sciences Committee of Chemical and Process EngineeringChemical and Process Engineering2300-19252017-03-01381193010.1515/cpe-2017-0003cpe-2017-0003Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac ModelJaschik Manfred0Piech Daniel1Warmuzinski Krzysztof2Jaschik Jolanta3Polish Academy of Sciences, Institute of Chemical Engineering, ul. Baltycka 5, Gliwice, PolandPolish Academy of Sciences, Institute of Chemical Engineering, ul. Baltycka 5, Gliwice, PolandPolish Academy of Sciences, Institute of Chemical Engineering, ul. Baltycka 5, Gliwice, PolandPolish Academy of Sciences, Institute of Chemical Engineering, ul. Baltycka 5, Gliwice, PolandThermodynamic principles for the dissolution of gases in ionic liquids (ILs) and the COSMO-SAC model are presented. Extensive experimental data of Henry’s law constants for CO2, N2 and O2 in ionic liquids at temperatures of 280-363 K are compared with numerical predictions to evaluate the accuracy of the COSMO-SAC model. It is found that Henry’s law constants for CO2 are predicted with an average relative deviation of 13%. Both numerical predictions and experimental data reveal that the solubility of carbon dioxide in ILs increases with an increase in the molar mass of ionic liquids, and is visibly more affected by the anion than by the cation. The calculations also show that the highest solubilities are obtained for [Tf2N]ˉ. Thus, the model can be regarded as a useful tool for the screening of ILs that offer the most favourable CO2 solubilities. The predictions of the COSMOSAC model for N2 and O2 in ILs differ from the pertinent experimental data. In its present form the COSMO-SAC model is not suitable for the estimation of N2 and O2 solubilities in ionic liquids.http://www.degruyter.com/view/j/cpe.2017.38.issue-1/cpe-2017-0003/cpe-2017-0003.xml?format=INTvapour-liquid equilibriumionic liquidsHenry’s constantsolubilitycarbon dioxide captureCOSMO-SAC model |
| spellingShingle | Jaschik Manfred Piech Daniel Warmuzinski Krzysztof Jaschik Jolanta Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac Model Chemical and Process Engineering vapour-liquid equilibrium ionic liquids Henry’s constant solubility carbon dioxide capture COSMO-SAC model |
| title | Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac Model |
| title_full | Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac Model |
| title_fullStr | Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac Model |
| title_full_unstemmed | Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac Model |
| title_short | Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac Model |
| title_sort | prediction of gas solubility in ionic liquids using the cosmo sac model |
| topic | vapour-liquid equilibrium ionic liquids Henry’s constant solubility carbon dioxide capture COSMO-SAC model |
| url | http://www.degruyter.com/view/j/cpe.2017.38.issue-1/cpe-2017-0003/cpe-2017-0003.xml?format=INT |
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