Prediction of Gas Solubility in Ionic Liquids Using the Cosmo-Sac Model

• Autorzy: Jaschik M. , Piech D. , Warmuziński K. , Jaschik J.

Identyfikatory

DOI

10.1515/cpe-2017-0003

• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

vapour-liquid equilibrium; ionic liquids; Henry’s constant; solubility; carbon dioxide; capture; COSMO-SAC model

PL

równowaga par i cieczy; ciecze jonowe; Stała Henry'ego; rozpuszczalność; dwutlenek węgla; Model COSMO-SAC

• Wydawca: Komitet Inżynierii Chemicznej i Procesowej Polskiej Akademii Nauk
• Czasopismo: Chemical and Process Engineering
• Rocznik: 2017
• Tom: Vol. 38, nr 1
• Strony: 19--30
• Opis fizyczny: Bibliogr. 16 poz., tab.

Twórcy

autor

Jaschik M.

• Polish Academy of Sciences, Institute of Chemical Engineering, ul. Baltycka 5, Gliwice, Poland

autor

Piech D.

• Polish Academy of Sciences, Institute of Chemical Engineering, ul. Baltycka 5, Gliwice, Poland

autor

Warmuziński K.

• Polish Academy of Sciences, Institute of Chemical Engineering, ul. Baltycka 5, Gliwice, Poland

autor

Jaschik J.

• Polish Academy of Sciences, Institute of Chemical Engineering, ul. Baltycka 5, Gliwice, Poland

Bibliografia

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Uwagi

PL

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę (zadania 2017)