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-diffusionThe physical basis for solvent flow in organic solvent nanofiltration
Fan H, He J, Heiranian M, Pan W, Li Y, Elimelech M. The physical basis for solvent flow in organic solvent nanofiltration. Science Advances 2024, 10: eado4332. PMID: 38875330, PMCID: PMC11177934, DOI: 10.1126/sciadv.ado4332.Peer-Reviewed Original ResearchOrganic solvent nanofiltrationOrganic solvent nanofiltration membranesMembrane pore structureSolvent nanofiltrationNonequilibrium molecular dynamics simulationsMolecular dynamics simulationsPore structureSolvent transport mechanismsSolvent moleculesSolvent flowSolvent permeanceSolvent affinityOSN membranesFlory-Rehner theoryDynamics simulationsSolvent transportMembrane technologyChemical separationNanofiltrationPressure gradientPermeanceStructureTransport mechanismMolecules