Molecular simulations of organic solvent transport in dense polymer membranes: Solution-diffusion or pore-flow mechanism?
He J, Fan H, Elimelech M, Li Y. Molecular simulations of organic solvent transport in dense polymer membranes: Solution-diffusion or pore-flow mechanism? Journal Of Membrane Science 2024, 708: 123055. DOI: 10.1016/j.memsci.2024.123055.Peer-Reviewed Original ResearchDense polymer membranesPolymer membranesOrganic solventsSolution-diffusion modelHigh-performance polymer membranesSolvent transportFractional free volumeMolecular-level guidanceOrganic solvent nanofiltrationMolecular dynamics simulationsPore flow mechanismNon-equilibrium molecular dynamics simulationsMembrane pore sizeSolvent sizeSolvent permeanceSolvent nanofiltrationSeparation applicationsTransport mechanisms of waterMolecular simulationsFree volumeDynamics simulationsWater transport mechanismSolventReverse osmosisSolution-diffusion