TY - GEN
T1 - Molecular dynamics simulations of transport phenomena in polymer electrolyte fuel cell
AU - Tokumasu, Takashi
N1 - Funding Information:
This work was supported by the New Energy and Industrial Technology Development Organization (NEDO) of Japan and the simulations were mainly performed using the supercomputer of the Institute of Fluid Science (IFS) of Tohoku University.
Publisher Copyright:
© 2017, Begell House Inc. All Rights Reserved.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2017
Y1 - 2017
N2 - Nanoscale transport phenomena in a membrane electrode assembly (MEA) of polymer electrolyte fuel cell (PEFC) is analyzed by large scale molecular dynamics (MD) simulations. Especially, the transport phenomena of proton in polymer electrolyte membrane (PEM) which has highly anisotropic water structures, oxygen permeability, oxygen scattering and proton diffusivity of ionomer in catalyst layer (CL), and scattering of oxygen molecule on ionomer were simulated, and nanoscale transport characteristics were analyzed in detail to achieve the design of new concept of MEA for next generation PEFC.
AB - Nanoscale transport phenomena in a membrane electrode assembly (MEA) of polymer electrolyte fuel cell (PEFC) is analyzed by large scale molecular dynamics (MD) simulations. Especially, the transport phenomena of proton in polymer electrolyte membrane (PEM) which has highly anisotropic water structures, oxygen permeability, oxygen scattering and proton diffusivity of ionomer in catalyst layer (CL), and scattering of oxygen molecule on ionomer were simulated, and nanoscale transport characteristics were analyzed in detail to achieve the design of new concept of MEA for next generation PEFC.
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U2 - 10.1615/ichmt.2017.cht-7.1940
DO - 10.1615/ichmt.2017.cht-7.1940
M3 - Conference contribution
AN - SCOPUS:85064042326
SN - 9781567004618
T3 - International Symposium on Advances in Computational Heat Transfer
SP - 1829
EP - 1832
BT - Proceedings of CHT-17 ICHMT International Symposium on Advances in Computational Heat Transfer, 2017
PB - Begell House Inc.
T2 - International Symposium on Advances in Computational Heat Transfer, CHT 2017
Y2 - 28 May 2017 through 1 June 2017
ER -