Systematic Selection of Mixtures as Post-Combustion CO2 Capture Solvent Candidates

We propose a systematic approach for the preliminary screening of binary amine mixtures as CO2 capture candidates considering several important properties as selection criteria. The proposed approach consists of several decision making stages, which account for solvent-solvent and solvent-solvent-CO2 interactions using standard group contribution models as well as equations of state and activity coefficient models to address the vapour and liquid phase non-idealities in several properties considered as selection criteria. The aim of the proposed approach is to be fast and sufficiently efficient to identify few useful amine combinations, which may then be evaluated using rigorous prediction models or experiments. A multi-criteria mixture selection methodology is employed to unveil important trade-offs among several important properties and to propose the mixtures that appear to be promising as CO2 capture candidates. The proposed method is applied in mixtures resulting from numerous binary combinations of amines, which have been previously investigated in their pure aqueous form as CO2 capture solvents.