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Nanoscale Transport Dynamics inside a Hydrated Nafion Membrane with Electric Field Effects
Author(s) -
Chen P. Y.,
Hong C. W.
Publication year - 2010
Publication title -
fuel cells
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.485
H-Index - 69
eISSN - 1615-6854
pISSN - 1615-6846
DOI - 10.1002/fuce.200800108
Subject(s) - electric field , hydronium , molecular dynamics , chemical physics , nafion , membrane , materials science , nanoscopic scale , field (mathematics) , water transport , voltage , ion , proton transport , analytical chemistry (journal) , nanotechnology , chemical engineering , chemistry , computational chemistry , electrochemistry , chromatography , physics , electrode , water flow , organic chemistry , mathematics , environmental engineering , engineering , biochemistry , quantum mechanics , pure mathematics
Atomistic simulations were performed to investigate the effects of electric field on the transport dynamics inside a hydrated Nafion membrane. An electric field, varied from 2.5 × 10 3 to 7.5 × 10 3 V m –1 simulating the operating voltage from 0.25 to 0.75 V and the membrane thickness of 100 μm was applied along the proton transport direction in the simulation cell. A significant change in the membrane morphology can be observed when the electric field was considered. With increase in the electric field strength, mobilities of hydronium ions and water molecules are enhanced. The difference in the transport phenomena, with and without the electric field, can be visualised from the molecular trajectory diagrams. The distribution of water clusters and their sizes under the influence of the electric field can also be investigated using this molecular analysis technique.