Abstract:In the current investigation, molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulation as remarkable and competent approaches have been employed for understanding structural and transport properties of MMMs in the realm of gas separation. The two commonly used polymers i.e. polysulfone (Psf) and polydimethylsiloxane (PDMS) as well as zinc oxide (ZnO) nanoparticle (NP) were used to carefully examine the transport properties of three light gasses (CO2, N2 and CH4) through simple Psf, Psf/PDMS co… Show more
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