Characterization and molecular simulation of Pebax-1657-based mixed matrix membranes incorporating MoS₂ nanosheets for carbon dioxide capture enhancement

In this study, a facile method was developed to fabricate MoS₂ nanosheet-enhanced Pebax-MoS₂ mixed matrix membranes (MMMs) for CO₂ capture. A super mixer was introduced to ensure the homogeneity of the as-prepared solutions, and a far more efficient method of Pebax-MoS₂ MMM preparation was accordingly achieved. The membrane structures were observed by SEM, and membrane crystallinity was examined by XRD and DSC. FTIR and Raman spectroscopy were utilized to verify that the Pebax-MoS₂ membranes were well prepared. The gas permeability results showed that the Pebax membrane doped with 4.76 wt % MoS₂ nanosheets had the best performance, with a CO₂ permeability of 67.05 Barrer and CO₂/N₂ selectivity of 90.61. The molecular simulation technique used for the Pebax-MoS₂ MMMs was first adopted by our group to investigate CO₂ solubility and CO₂/N₂ solubility selectivity. The simulation results demonstrated the strong affinity of CO₂ for the added MoS₂, consequently contributing to high CO₂/N₂ selectivity, and were highly correlated with the experimental results. Pebax-1657-based MMMs incorporating MoS₂ nanosheets can be therefore be considered a promising alternative for CO₂ capture applications.