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Ion Transport Mechanisms in Liquid–Liquid Interface
journal contribution
posted on 2017-05-30, 00:00 authored by Baofu Qiao, John V. Muntean, Monica Olvera de la Cruz, Ross J. EllisInterfacial
liquid–liquid ion transport is of crucial importance
to biotechnology and industrial separation processes including nuclear
elements and rare earths. A water-in-oil microemulsion is formulated
here with density and dimensions amenable to atomistic molecular dynamics
simulation, facilitating convergent theoretical and experimental approaches
to elucidate interfacial ion transport mechanisms. Lutetium(III) cations
are transported from the 5 nm diameter water pools into the surrounding
oil using an extractant (a lipophilic ligand). Changes in ion coordination
sphere and interactions between the interfacial components are studied
using a combination of synchrotron X-ray scattering, spectroscopy,
and atomistic molecular dynamics simulations. Contrary to existing
hypotheses, our model system shows no evidence of interfacial extractant
monolayers, but rather ions are exchanged through water channels that
penetrate the surfactant monolayer and connect to the oil-based extractant.
Our results highlight the dynamic nature of the oil–water interface
and show that lipophilic ion shuttles need not form flat monolayer
structures to facilitate ion transport across the liquid–liquid
interface.
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Keywords
ion Transport Mechanismsmonolayer structuresion coordination spherelipophilic ion shuttles need5 nm diameter water poolsion transport mechanismsmodel systemwater-in-oil microemulsionion transportsynchrotron X-raydynamics simulationlipophilic ligandsurfactant monolayerwater channelsseparation processesdynamics simulationsextractant monolayers
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