TY - JOUR KW - Proton conductivity KW - Water diffusivity KW - Water uptake AU - Gisuk Hwang AU - Massoud Kaviany AU - Jeffrey T Gostick AU - Brian L Kienitz AU - Adam Z Weber AU - Moo Hwan Kim AB -

Using molecular simulations and a bimodal-domain network, the role of water state on Nafion water uptake and water and proton transport is investigated. Although the smaller domains provide moderate transport pathways, their effectiveness remains low due to strong, resistive water molecules/domain surface interactions. The water occupancy of the larger domains yields bulk-like water, and causes the observed transition in the water uptake and significant increases in transport properties.

BT - Polymer C2 - LBNL5396E DA - 05/2011 DO - 10.1016/j.polymer.2011.03.056 IS - 12 LA - eng N1 -

LBNL5396E

N2 -

Using molecular simulations and a bimodal-domain network, the role of water state on Nafion water uptake and water and proton transport is investigated. Although the smaller domains provide moderate transport pathways, their effectiveness remains low due to strong, resistive water molecules/domain surface interactions. The water occupancy of the larger domains yields bulk-like water, and causes the observed transition in the water uptake and significant increases in transport properties.

PY - 2011 SP - 2584 EP - 2593 T2 - Polymer TI - Role of Water States on Water Uptake and Proton Transport in Nafion using Molecular Simulations and Bimodal Network VL - 52 ER -