Computational Screening of Ionic Liquids for CO2 Capture Using COSMO-RS

COSMO-RS method is applied to predict Henry's law coefficient and related thermodynamic quantities for carbon dioxide, methane and ethane in a database of ionic liquids. Effect of temperature and chemical constituents of solvents on the solvation process is explained. Predicted results are compared with experimental data. A short list of potential ionic liquids for CO₂ capture from flue gas and natural gas streams is presented.