Effect of carboxylic groups on facilitated transport mechanism in PEBAcomposite membranes for CO۲ separation: A molecular simulation study

A facilitated transport mechanism is a suitable method for overcoming the diffusion resistance inCO۲ separation membranes with a solution-diffusion mechanism. In this regard, choosing a suitablecarrier is essential. In this study, benzoic acid, which contains carboxylic functional group wasselected as carrier and PEBA (polyether block amid) facilitated transport membranes containingthis carrier were simulated. Molecular simulation were used to study these membranes' structuraland separation properties. The performance properties including diffusivity and solubilitycoefficients in the membrane matrix, were measured. The results showed that however benzoic acidcould increase the diffusivity but decrease the solubility. The FFV of membrane incresed by addingbenzoic acid to PEBA matrix.

کلیدواژه ها:

Membrane ، CO۲ separation ، Molecular simulation ، Facilitated transport mechanism.