Nanoscale transport phenomena in PEM of PEFC by large scale molecular dynamics simulations

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

2 Citations (Scopus)

Abstract

In this paper, we analyzed the nanoscale transport phenomena in membrane electrode assembly (MEA) of polymer electrolyte fuel cell (PEFC) by large scale molecular dynamics (MD) simulations. Especially, (1) transport phenomena of proton and water in polymer electrolyte membrane (PEM), (2) oxygen permeability of ionomer in catalyst layer (CL), and (3) transport phenomena of water droplet in a nano pore were simulated, and the nanoscale transport characteristics were analyzed in detail. In the analysis of proton transfer in PEM, the simulation results were compared with some experimental results to evaluate the validity of our simulation. With regards to the oxygen permeability of ionomer, the dependence of water content on the permeability was estimated and the difference of characteristics between ionomer and bulk membrane was discussed. In the analysis of transport phenomena of a water droplet in a nano pore, we compared the results of our simulation with macroscopic governing equation.

Original languageEnglish
Title of host publicationPolymer Electrolyte Fuel Cells 12, PEFC 2012
PublisherElectrochemical Society Inc.
Pages859-868
Number of pages10
Edition2
ISBN (Print)9781607683506
DOIs
Publication statusPublished - 2013
Event12th Polymer Electrolyte Fuel Cell Symposium, PEFC 2012 - 222nd ECS Meeting - Honolulu, HI, United States
Duration: 2012 Oct 72012 Oct 12

Publication series

NameECS Transactions
Number2
Volume50
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Other

Other12th Polymer Electrolyte Fuel Cell Symposium, PEFC 2012 - 222nd ECS Meeting
Country/TerritoryUnited States
CityHonolulu, HI
Period12/10/712/10/12

ASJC Scopus subject areas

  • Engineering(all)

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