A comprehensive computational strategy for fitting experimental permeation data of mixed matrix membranes

A novel computational model-based strategy was developed for fitting experimental gas permeation data of mixed matrix membranes. Pore filler blockage, polymer chain rigidification and interface voids can simultaneously be taken into account in order to estimate morphological property as well as gas separation performance of MMMs. The proposed strategy was validated using several available literature data and an excellent agreement between the model predictions and experimental data was observed.