X-ray reflectometry studies on the effect of water on the surface structure of [C(4)mpyr][NTf2] ionic liquid

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dc.contributor.authorLauw, Yen_AU
dc.contributor.authorHorne, MDen_AU
dc.contributor.authorRodopoulos, Ten_AU
dc.contributor.authorWebster, NASen_AU
dc.contributor.authorMinofar, Ben_AU
dc.contributor.authorNelson, Aen_AU
dc.date.accessioned2010-01-21T05:05:34Zen_AU
dc.date.accessioned2010-04-30T05:05:13Zen_AU
dc.date.available2010-01-21T05:05:34Zen_AU
dc.date.available2010-04-30T05:05:13Zen_AU
dc.date.issued2009-10-21en_AU
dc.date.statistics2009-10-21en_AU
dc.description.abstractThe effect of water on the surface structure of 1-butyl-1-methylpyrrolidinium trifluoromethylsulfonylimide [C(4)mpyr][NTf2] ionic liquid was investigated using X-ray reflectometry. The measured reflectivity data suggests a significant amount of water is adsorbed at the surface, with the first layer from the gas (nitrogen)-liquid phase boundary mainly occupied by a mixture of cations and water. Beyond the cation + water layer, the scattering length density increases towards the bulk value, indicating a decreasing amount of water and cations, and/or an increasing amount of anions. The orientation of the butyl chain of cation at the phase boundary and the population of water at the surface were described based on results from an independent molecular dynamics (MD) simulation. We show that the presence of water in the ionic liquid has a non-monotonic effect on the overall thickness of the surface. At low water content, the addition of water does not change the surface thickness since water is mainly present in the bulk. As the water content increases, the surface swells before eventually shrinking down close to the solubility limit of water. The non-monotonic surface thickness is used to explain the anomalous trend of surface tension in ionic liquid-water mixtures reported in the literature. © 2009, Royal Society of Chemistryen_AU
dc.identifier.citationLauw, Y., Horne, M. D., Rodopoulos, T., Webster, N. A. S., Minofar, B., & Nelson, A. (2009). X-ray reflectometry studies on the effect of water on the surface structure of [C(4)mpyr][NTf2] ionic liquid. Physical Chemistry Chemical Physics, 11(48), 11507-11514.en_AU
dc.identifier.govdoc1341en_AU
dc.identifier.issn1463-9076en_AU
dc.identifier.issue48en_AU
dc.identifier.journaltitlePhysical Chemistry Chemical Physicsen_AU
dc.identifier.pagination11507-11514en_AU
dc.identifier.urihttp://dx.doi.org/10.1039/b916046aen_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/2731en_AU
dc.identifier.volume11en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemistryen_AU
dc.subjectWateren_AU
dc.subjectCationsen_AU
dc.subjectX-ray equipmenten_AU
dc.subjectMolecular dynamics methoden_AU
dc.subjectSurface tensionen_AU
dc.subjectIonic compositionen_AU
dc.titleX-ray reflectometry studies on the effect of water on the surface structure of [C(4)mpyr][NTf2] ionic liquiden_AU
dc.typeJournal Articleen_AU
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