2025
Molecular simulations reveal gas transport mechanisms in polyamide membranes
Qian J, Wang R, Wu H, Wang F, Elimelech M. Molecular simulations reveal gas transport mechanisms in polyamide membranes. Journal Of Membrane Science 2025, 731: 124056. DOI: 10.1016/j.memsci.2025.124056.Peer-Reviewed Original ResearchGas separation processesPA membraneGas separationM-phenylenediamineMembrane-based gas separationsTrimesoyl chlorideSingle gas permeationMolecular dynamics simulationsMolecular sieving effectNon-equilibrium molecular dynamics simulationsSeparation processPolymerization of m-phenylenediamineMembrane pore structureAromatic polyamidesNanoporous materialsSmall gasesInterfacial polymerization of m-phenylenediamineMolecular simulationsPolymeric membranesDynamics simulationsInterfacial polymerizationGas permeationPA filmSieving effectPore size distributionIonophore-Based Molecular Layer-by-Layer Polyamide Membranes for Facilitated Single-Ion Transport
Zhang J, Villalobos L, Lee J, Zhong M, Elimelech M. Ionophore-Based Molecular Layer-by-Layer Polyamide Membranes for Facilitated Single-Ion Transport. ACS Applied Materials & Interfaces 2025, 17: 30817-30824. PMID: 40359549, DOI: 10.1021/acsami.5c02331.Peer-Reviewed Original ResearchIon-selective polymeric membraneMolecular layer-by-layerEfficient ion separationIon binding featuresPolyamide membranesHigher binding energyBiological ion channelsLayer-by-layerIon separationPolyamide filmsPolymeric membranesIon selectivityBinding energySingle-ionIon bindingBinding featuresBinary salt mixturesIon transportCationsNernst-Planck equationCompetitive bindingSalt mixtureSub-10Nernst-PlanckIon flux
2024
Ultrastable ceramic-based metal–organic framework membranes with missing linkers for robust desalination
Dong Y, Lyu Q, Lin L, Violet C, Lin B, Han Y, Tang C, Yu H, Elimelech M. Ultrastable ceramic-based metal–organic framework membranes with missing linkers for robust desalination. Nature Water 2024, 2: 464-474. DOI: 10.1038/s44221-024-00218-5.Peer-Reviewed Original ResearchHigh-performance desalination membranesPolymeric membranesWater treatment applicationsMetal–organic framework membranesMissing-linker defectsUiO-66 membraneDesalination membranesLow energy barrierMolecular simulation resultsHarsh chemical conditionsMissing linkersUiO-66Water clustersIndustrial wastewater treatmentEnergy barrierIncreased water fluxDesalination performanceDesalination applicationsTreatment applicationsAlkaline conditionsNanoporous membranesInsufficient stabilityWastewater treatmentPore sizeSimulation results
2023
Ceramic thin-film composite membranes with tunable subnanometer pores for molecular sieving
Zhou X, Shevate R, Huang D, Cao T, Shen X, Hu S, Mane A, Elam J, Kim J, Elimelech M. Ceramic thin-film composite membranes with tunable subnanometer pores for molecular sieving. Nature Communications 2023, 14: 7255. PMID: 37945562, PMCID: PMC10636005, DOI: 10.1038/s41467-023-42495-w.Peer-Reviewed Original ResearchThin film composite membranesCeramic membranesComposite membranesSubnanometer poresAluminum oxide filmsAtomic layer depositionAluminum oxide membranesSelective molecular separationCurrent fabrication technologyPrecise molecular sievingOxide filmsOxide membranesFabrication technologyLayer depositionMolecular sievingMolecular-level designPolymeric membranesHarsh chemical conditionsSelective separationMolecular separationSeparation capabilityPoresPromising alternativeSievingCarbonaceous species
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