Nanoscale Transport Dynamics inside a Hydrated Nafion Membrane with Electric Field Effects

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 x 10(3) to 7.5 x 10(3) V m(-1) simulating the operating voltage from 0.25 to 0.75 V and the membrane thickness of 100 mu m 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.