Prediction of carbon dioxide sorption in polymers for capture and storage feasibility analysis

The carbon dioxide and its capture and storage has found great importance. Polymeric materials have been used for CO2 capture where the solubility of CO2 in polymer is the critical factor that determine the efficiency and performance of selected polymeric materials. For initial assessment and feasibility analysis of considered materials, prior to any experimental measurement, in order to reduce costs, development of a theoretical solubility and sorption model is highly of interest. Thus, here computationally consistent solubility model is developed employing the compressible regular solution theory where inputs parameters include the lattice fluid parameters and Hansen cohesive energy densities that are obtainable using group contribution method of Constantinou and Gani and the group contribution method of van Krevelen respectively. A number of experimental data was collected and used for examination of model accuracy and desirable agreement was found with an R2 value of 0.9896.