Dry and Wet Molecular Dynamics Simulations of Nafion® Polymer Electrolyte Fuel Cell Membrane

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概要

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• The interactions between the hydronium ions and the waters in Nafion® polyelectrolyte membrane are relevant in the proton transfer process of fuel cell. To investigate a role of water in the proton transfer mechanism, molecular dynamic simulations have been performed for models of Nafion® side chains cluster with the water molecules and the hydronium ions comparing with dry system. After simulations, the trajectories were analyzed in term of intermolecular distances, potential energy, and radial distribution function.

著者

• Aukkaravittayapun Suparerk

  National Metal and Materials Technology Center

• Nimmanpipug Piyarat

  Department Of Chemistry Faculty Of Science Chiang Mai University

• Yana Janchai

  Department Of Chemistry Faculty Of Science Chiang Mai University

• Lee Vannajan

  Department of Chemistry, Faculty of Science, Chiang Mai University, 239 Huaykaew, Suthep, Chiang Mai 50200, Thailand

• NIMMANPIPUG Piyarat

  Department of Chemistry, Faculty of Science, Chiang Mai University

• DOKMAISRIJAN Supaporn

  Department of Chemistry, Faculty of Science and Technology, Chiang Mai Rajabhat University

• VILAITHONG Thirapat

  Fast Neutron Research Facility, Department of Physics, Faculty of Science, Chiang Mai University

• LEE Vannajan

  Department of Chemistry, Faculty of Science, Chiang Mai University

• YANA Janchai

  Department of Chemistry, Faculty of Science, Chiang Mai University

関連論文

• B-14 LIFE TIME IMPROVEMENT OF PUNCHING TOOLS BY ION BEAM IMPLANTATION(Session: Coatings/Thin Films)
• J-9 DRY AND WET MOLECULAR DYNAMICS SIMULATIONS OF NAFION(R) POLYMER ELECTROLYTE FUEL CELL MEMBRANE(Session: Simulation)
• Dry and Wet Molecular Dynamics Simulations of Nafion® Polymer Electrolyte Fuel Cell Membrane
• Epoxy Resin Surface Functionalization Using Atmospheric Pressure Plasma Jet Treatment

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