TY - JOUR
T1 - Analysis of the oxygen scattering behaviour on ionomer surface in catalyst layer of PEFC
AU - Nakauchi, Masataka
AU - Mabuchi, Takuya
AU - Kinefuchi, Ikuya
AU - Takeuchi, Hideki
AU - Tokumasu, Takashi
N1 - Funding Information:
The authors would like to thank the New Energy and Industrial Technology Development Organization (NEDO) in Japan for their financial support. MD simulations were carried out using the super computer system of Institute of Fluid Science, Tohoku University.
Publisher Copyright:
© 2016, European Association for the Development of Renewable Energy, Environment and Power Quality (EA4EPQ). All rights reserved.
PY - 2016/5
Y1 - 2016/5
N2 - Mass transport significantly affects the reaction efficiency of polymer electrolyte fuel cells. In particular, the oxygen transport in catalyst layers is important for the improvement of its efficiency. However, the mechanism of oxygen scattering on ionomer surface, which is one of the dominant factors of transport phenomena, has not been clarified. Therefore, we analyzed the oxygen scattering behaviour on ionomer surface using molecular dynamics simulation. Oxygen molecules are impinged to ionomer surface with different incident energies and angles. According to the total energy of oxygen molecule, the trajectories of oxygen molecules are classified into trapping or scattering. The trapping probability of oxygen molecule on ionomer surface decreases as the normal component of the incident energy increases. Oxygen molecules with low normal incident energy get energy during the gas–surface interaction on the surface and desorb from the surface. The number of collisions with the surface does not affect the energy transfer between oxygen molecule and ionomer surface.
AB - Mass transport significantly affects the reaction efficiency of polymer electrolyte fuel cells. In particular, the oxygen transport in catalyst layers is important for the improvement of its efficiency. However, the mechanism of oxygen scattering on ionomer surface, which is one of the dominant factors of transport phenomena, has not been clarified. Therefore, we analyzed the oxygen scattering behaviour on ionomer surface using molecular dynamics simulation. Oxygen molecules are impinged to ionomer surface with different incident energies and angles. According to the total energy of oxygen molecule, the trajectories of oxygen molecules are classified into trapping or scattering. The trapping probability of oxygen molecule on ionomer surface decreases as the normal component of the incident energy increases. Oxygen molecules with low normal incident energy get energy during the gas–surface interaction on the surface and desorb from the surface. The number of collisions with the surface does not affect the energy transfer between oxygen molecule and ionomer surface.
KW - Molecular Dynamics Simulation
KW - Polymer Electrolyte Fuel Cell
KW - Rarefied Gas Dynamics
KW - Scattering Behaviour
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U2 - 10.24084/repqj14.315
DO - 10.24084/repqj14.315
M3 - Article
AN - SCOPUS:85073351004
VL - 1
SP - 349
EP - 352
JO - Renewable Energy and Power Quality Journal
JF - Renewable Energy and Power Quality Journal
SN - 2172-038X
IS - 14
M1 - 315
ER -
