2024
Extended Donnan model for ion partitioning in charged nanopores: Application to ion-exchange membranes
Wang R, Biesheuvel P, Elimelech M. Extended Donnan model for ion partitioning in charged nanopores: Application to ion-exchange membranes. Journal Of Membrane Science 2024, 705: 122921. DOI: 10.1016/j.memsci.2024.122921.Peer-Reviewed Original ResearchIon-exchange membranesExchange membraneInteraction of ionsCoulomb interaction of ionsIon partitioningCharged pore wallsElectrostatic modelChemical potential of ionsArrangement of ionsPore solutionPotentials of ionsDonnan modelDonnan equationPore sizeCylindrical poresPore wallsDistribution of ionsPolymer chargeEffect of ionsAqueous solutionPoreIon activity coefficientsSalt concentrationIonsGeometric factors
2013
Electrostatic Effects on Proton Coupled Electron Transfer in Oxomanganese Complexes Inspired by the Oxygen-Evolving Complex of Photosystem II
Amin M, Vogt L, Vassiliev S, Rivalta I, Sultan MM, Bruce D, Brudvig GW, Batista VS, Gunner MR. Electrostatic Effects on Proton Coupled Electron Transfer in Oxomanganese Complexes Inspired by the Oxygen-Evolving Complex of Photosystem II. The Journal Of Physical Chemistry B 2013, 117: 6217-6226. PMID: 23570540, PMCID: PMC3753004, DOI: 10.1021/jp403321b.Peer-Reviewed Original ResearchConceptsOxomanganese complexesElectron transferOxygen-evolving complexComplexes 6Electrostatic effectsΜ-oxo bridgeDensity functional theory levelTerminal water ligandsBiomimetic oxomanganese complexesPhotosystem IIOxidation state transitionsContinuum electrostatic modelWater ligandsLigand substituentsOxidation midpoint potentialsOxo bridgeCalculated pKaProton transferElectrostatic interactionsTheory levelElectrostatic contributionMidpoint potentialMn oxidationElectrostatic modelFree energy
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