J-9 DRY AND WET MOLECULAR DYNAMICS SIMULATIONS OF NAFION(R) POLYMER ELECTROLYTE FUEL CELL MEMBRANE(Session: Simulation)
スポンサーリンク
概要
- 論文の詳細を見る
The interactions of hydronium and water with nafion(R) membrane are relevant in proton transfer process in nafion(R), a fuel cell electrolyte membrane. To investigate such crucial actions, molecular dynamic simulations were studied in this work using a model consisting of nafion(R) side chains cluster with water molecules and hydronium ions comparing with dry system. After simulations, the trajectories were analyzed in term of intermolecular distances, potential energy, and radial distribution function. In addition, quantum calculations were investigated to clarify the role of hydronium ions and water in proton transfer manner.
- 一般社団法人日本機械学会の論文
- 2006-11-08
著者
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Sanghiran Lee
Department Of Chemistry Faculty Of Science Chiang Mai University
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Yana Janchai
Department of Chemistry,Faculty of Science,Chiang Mai University
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Nimmanpipug Piyarat
Department of Chemistry,Faculty of Science,Chiang Mai University
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Nimmanpipug Piyarat
Department Of Chemistry Faculty Of Science Chiang Mai University
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Yana Janchai
Department Of Chemistry Faculty Of Science Chiang Mai University
関連論文
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