Molecular dynamics simulation of oxygen transport characteristics in the electrolyte membrane of PEMFC

Molecular dynamics simulation of oxygen transport characteristics in the electrolyte membrane of... PurposeThis paper aims to investigate the oxygen transport characteristics in the electrolyte membrane of proton exchange membrane fuel cell (PEMFC), in particular, the water content dependence and the microscopic view of the molecular transport.Design/methodology/approachMolecular dynamics simulation is used to examine the oxygen transport characteristics in the electrolyte membrane of PEMFC that we have experimentally observed in our previous study.FindingsMolecular dynamics simulation well predicts the diffusion coefficient of oxygen in the membrane. It was found that the oxygen molecules have preference in their transport passage that governs the property.Originality/valueFirst attempt is to theoretically examine the experimentally observed water uptake dependence of the oxygen diffusion coefficient in membrane and to explain the mechanism. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png International Journal of Numerical Methods for Heat & Fluid Flow Emerald Publishing

Molecular dynamics simulation of oxygen transport characteristics in the electrolyte membrane of PEMFC

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Publisher
Emerald Publishing
Copyright
Copyright © Emerald Group Publishing Limited
ISSN
0961-5539
D.O.I.
10.1108/HFF-10-2016-0430
Publisher site
See Article on Publisher Site

Abstract

PurposeThis paper aims to investigate the oxygen transport characteristics in the electrolyte membrane of proton exchange membrane fuel cell (PEMFC), in particular, the water content dependence and the microscopic view of the molecular transport.Design/methodology/approachMolecular dynamics simulation is used to examine the oxygen transport characteristics in the electrolyte membrane of PEMFC that we have experimentally observed in our previous study.FindingsMolecular dynamics simulation well predicts the diffusion coefficient of oxygen in the membrane. It was found that the oxygen molecules have preference in their transport passage that governs the property.Originality/valueFirst attempt is to theoretically examine the experimentally observed water uptake dependence of the oxygen diffusion coefficient in membrane and to explain the mechanism.

Journal

International Journal of Numerical Methods for Heat & Fluid FlowEmerald Publishing

Published: Feb 5, 2018

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