The proton transfer mechanism is the fundamental principle of how the proton exchange membrane fuel cell (PEMFC) works. This paper develops a molecular dynamics technique to simulate the transfer mechanism of the hydrogen protons inside a Nafion 117 membrane. The realistic polymer structure of the Nafion is extremely huge and very complex, it is simplified to be a repeated structure with part of the major carbon-fluoride backbone and a side chain with radicals of SO3− in this paper. Water molecules were assigned to distribute between side chains randomly. The simulation package of DLPOLY was employed as the platform. Simulation results show that the water molecules will cluster together due to the polarization characteristics, and the clusters are attracted by the side chain of the membrane electrolyte. Hydrogen protons are then transferred from one side chain to another through the water clusters. The migration process of the hydrogen protons within the membrane is a function of the water uptakes and many other factors. They are investigated to further improve the ionic conduction of the fuel cell membrane.
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ASME 2006 4th International Conference on Fuel Cell Science, Engineering and Technology
June 19–21, 2006
Irvine, California, USA
Conference Sponsors:
- Nanotechnology Institute
ISBN:
0-7918-4247-9
PROCEEDINGS PAPER
Molecular Dynamics of Proton Exchange Inside a Nafion® Membrane Available to Purchase
Chin-Hsien Cheng,
Chin-Hsien Cheng
National Tsing Hua University, Hsinchu, Taiwan
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Shu-Feng Lee,
Shu-Feng Lee
National Tsing Hua University, Hsinchu, Taiwan
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Che-Wun Hong
Che-Wun Hong
National Tsing Hua University, Hsinchu, Taiwan
Search for other works by this author on:
Chin-Hsien Cheng
National Tsing Hua University, Hsinchu, Taiwan
Shu-Feng Lee
National Tsing Hua University, Hsinchu, Taiwan
Che-Wun Hong
National Tsing Hua University, Hsinchu, Taiwan
Paper No:
FUELCELL2006-97135, pp. 253-257; 5 pages
Published Online:
September 15, 2008
Citation
Cheng, C, Lee, S, & Hong, C. "Molecular Dynamics of Proton Exchange Inside a Nafion® Membrane." Proceedings of the ASME 2006 4th International Conference on Fuel Cell Science, Engineering and Technology. ASME 2006 Fourth International Conference on Fuel Cell Science, Engineering and Technology, Parts A and B. Irvine, California, USA. June 19–21, 2006. pp. 253-257. ASME. https://doi.org/10.1115/FUELCELL2006-97135
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