Effects of water structure on proton transport in nafion thin films with molecular dynamics simulations

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Proton transport properties in Nafion thin films have been investigated using molecular dynamics simulations to characterize the nanoscopic flow phenomena in the electrode of polymer electrolyte fuel cell. Protons transfer in the ionomer by a combination of the Vehicle mechanism and the Grotthuss mechanism. In this study, the Grotthuss mechanism is described using the anharmonic two-state empirical valence bond method to evaluate quantitative proton transport within the framework of classical molecular dynamics simulations. The electrode consists of platinum-supported carbon and ionomers, and it is well known that the wettability of supported carbon depends on materials and operating environment. Our results suggested that the wettability affects morphology of the ionomer and proton transport.

Original languageEnglish
Title of host publicationECS Transactions
PublisherElectrochemical Society Inc.
Pages715-721
Number of pages7
Volume69
Edition17
ISBN (Print)9781607685395
DOIs
Publication statusPublished - 2015
EventSymposium on Polymer Electrolyte Fuel Cells 15, PEFC 2015 - 228th ECS Meeting - Phoenix, United States
Duration: 2015 Oct 112015 Oct 15

Other

OtherSymposium on Polymer Electrolyte Fuel Cells 15, PEFC 2015 - 228th ECS Meeting
Country/TerritoryUnited States
CityPhoenix
Period15/10/1115/10/15

ASJC Scopus subject areas

  • Engineering(all)

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