TY - GEN
T1 - Nanoscale transport phenomena in PEM of PEFC by large scale molecular dynamics simulations
AU - Tokumasu, T.
PY - 2013
Y1 - 2013
N2 - 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.
AB - 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.
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U2 - 10.1149/05002.0859ecst
DO - 10.1149/05002.0859ecst
M3 - Conference contribution
AN - SCOPUS:84885692203
SN - 9781607683506
T3 - ECS Transactions
SP - 859
EP - 868
BT - Polymer Electrolyte Fuel Cells 12, PEFC 2012
PB - Electrochemical Society Inc.
T2 - 12th Polymer Electrolyte Fuel Cell Symposium, PEFC 2012 - 222nd ECS Meeting
Y2 - 7 October 2012 through 12 October 2012
ER -