Viscosity of Nafion oligomers as a function of hydration and counterion type: a molecular dynamics study.
作者： Kevin B. Daly , Athanassios Z. Panagiotopoulos , Pablo G. Debenedetti , Jay B. Benziger
DOI: 10.1021/JP509061Z
关键词:
摘要: The design of fuel cells and lithium ion batteries is constrained, in part, by mechanical creep perforation the polymer electrolyte, a process that poorly understood at molecular level. stiffness (quantified as shear viscosity) structure widely used Nafion, are studied limit low solvent volume fraction (≤26% v/v H2O) using dynamics simulations. viscosity shown to increase up 4 orders magnitude response changes composition representing little 2 wt % system. Two types compositional considered, counterion type. A system with Xv+ for every v Nafion monomers y water molecules denoted (RSO3)vX·(H2O)y. following trend observed viscosity: (RSO3)2Ca > RSO3Na RSO3H·(H2O)3 RSO3H ≈ RSO3H·(H2O)10. This correlates strength SO3–/Xv+/SO3– cross-links size cross-link netwo...
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