Please use this identifier to cite or link to this item: http://buratest.brunel.ac.uk/handle/2438/9291
Full metadata record
DC FieldValueLanguage
dc.contributor.authorMabuchi, T-
dc.contributor.authorTokumasu, T-
dc.contributor.author4th Micro and Nano Flows Conference (MNF2014)-
dc.date.accessioned2014-12-02T15:41:39Z-
dc.date.available2014-12-02T15:41:39Z-
dc.date.issued2014-
dc.identifier.citation4th Micro and Nano Flows Conference, University College London, UK, 7-10 September 2014, Editors CS König, TG Karayiannis and S. Balabanien_US
dc.identifier.isbn978-1-908549-16-7-
dc.identifier.urihttp://bura.brunel.ac.uk/handle/2438/9291-
dc.descriptionThis paper was presented at the 4th Micro and Nano Flows Conference (MNF2014), which was held at University College, London, UK. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, IPEM, the Process Intensification Network, the Institution of Mechanical Engineers, the Heat Transfer Society, HEXAG - the Heat Exchange Action Group, and the Energy Institute, ASME Press, LCN London Centre for Nanotechnology, UCL University College London, UCL Engineering, the International NanoScience Community, www.nanopaprika.eu.en_US
dc.description.abstractWe have investigated the transport phenomena of hydronium ions and water molecules in the nanostructure of hydrated Nafion membrane by systematically changing the hydration level using classical molecular dynamics simulations. The new empirical valence bond (EVB) model is developed in order to improve the description of proton mobility in both aqueous and Nafion environments. The new EVB model predicts a significantly enhanced transport in comparison with previous hopping models as well as the classical hydronium diffusion, which largely improves the agreement with the available experimental data. We have determined diffusion coefficients of hydronium ions and water molecules in hydrated Nafion membrane as a function of hydration level to investigate the impact of the Grotthuss mechanism on the proton transport property. Proton hopping mechanism was found to become more significant at higher hydration levels. It was also found that a proton-hopping mechanism has a small effect on the diffusivity of water molecules for various hydration levels.en_US
dc.language.isoenen_US
dc.publisherBrunel University Londonen_US
dc.relation.ispartofseriesID 34-
dc.subjectMolecular Dynamicsen_US
dc.subjectPolymer Electrolyte Fuel Cellen_US
dc.subjectNafionen_US
dc.titleA molecular dynamics study of proton hopping in nafion membraneen_US
dc.typeConference Paperen_US
Appears in Collections:Brunel Institute for Bioengineering (BIB)
The Brunel Collection

Files in This Item:
File Description SizeFormat 
MNF2014_Full-paper_Mabuchi_modified.pdf189.17 kBAdobe PDFView/Open


Items in BURA are protected by copyright, with all rights reserved, unless otherwise indicated.