With many unique physical and chemical properties, ionic liquids are regarded as excellent substitutes of traditional solvents for adsorption and separation of gases. The predictive molecular thermodynamic model COSMO-RS(Conductor-like screening model for real solvents)can be used for modeling of the system(gas + ILs) and prediction of the gas solubility and selectivity in ILs. The review introduces the key parameters of the COSMO-RS model. The pseudo ternary system for the properties calculation of ILs used by COSMO-RS was illustrated. The research progresses for the modeling of adsorption and separation of CO₂, SO₂, aromatic volatile organic compounds, aliphatic volatile organic compounds, and H₂O used by ILs were summarized. The correction and optimization of COSMO-RS model for ILs was discussed. Finally, the research direction of COSMO-RS model of ILs screening used for gases capture and separation is prospected.

ionic liquids  /  gas  /  COSMO-RS  /  adsorption  /  separation