Molecular mechanism of stabilization of thin films for improved water evaporation protection

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dc.contributor.authorYiapanis, Gen_AU
dc.contributor.authorChristofferson, AJen_AU
dc.contributor.authorPlazzer, Men_AU
dc.contributor.authorWeir, MPen_AU
dc.contributor.authorPrime, ELen_AU
dc.contributor.authorQiao, GGen_AU
dc.contributor.authorSolomon, DHen_AU
dc.contributor.authorYarovsky, Ien_AU
dc.date.accessioned2014-04-24T05:33:06Zen_AU
dc.date.available2014-04-24T05:33:06Zen_AU
dc.date.issued2013-11-26en_AU
dc.date.statistics2014-04-24en_AU
dc.description.abstractAll-atom molecular dynamics simulations and experimental characterization have been used to examine the structure and dynamics of novel evaporation-suppressing films where the addition of a water-soluble polymer to an ethylene glycol monooctadecyl ether monolayer leads to improved water evaporation resistance. Simulations and Langmuir trough experiments demonstrate the surface activity of poly(vinyl pyrrolidone) (PVP). Subsequent MD simulations performed on the thin films supported by the PVP sublayer show that, at low surface pressures, the polymer tends to concentrate at the film/water interface. The simulated atomic concentration profiles, hydrogen bonding patterns, and mobility analyses of the water-polymer-monolayer interfaces reveal that the presence of PVP increases the atomic density near the monolayer film, improves the film stability, and reduces the mobility of interfacial waters. These observations explain the molecular basis of the improved efficacy of these monolayer/polymer systems for evaporation protection of water and can be used to guide future development of organic thin films for other applications. © 2013, American Chemical Society.en_AU
dc.identifier.citationYiapanis, G., Christofferson, A. J., Plazzer, M., Weir, M. P., Prime, E. L., Qiao, G. G., Solomon, D. H., & Yarovsky, I. (2013). Molecular mechanism of stabilization of thin films for improved water evaporation protection. Langmuir, 29(47), 14451-14459. doi:10.1021/la402275pen_AU
dc.identifier.govdoc5397en_AU
dc.identifier.issn0743-7463en_AU
dc.identifier.issue47en_AU
dc.identifier.journaltitleLangmuiren_AU
dc.identifier.pagination14451-14459en_AU
dc.identifier.urihttp://dx.doi.org/10.1021/la402275pen_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/5487en_AU
dc.identifier.volume29en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectDynamicsen_AU
dc.subjectSimulationen_AU
dc.subjectThin filmsen_AU
dc.subjectInterfacesen_AU
dc.subjectMoleculesen_AU
dc.subjectPolymersen_AU
dc.titleMolecular mechanism of stabilization of thin films for improved water evaporation protectionen_AU
dc.typeJournal Articleen_AU
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