Correlation between structure and conductivity of stretched Nafion.pdfVIP

Correlation between structure and conductivity of stretched Nafion. Elshad Allahyarov Department of Physics, Case Western Reserve University, Cleveland, Ohio 44106 8 and Joint Institute of High Temperatures, 0 0 Russian Academy of Sciences (IVTAN), Moscow, 125412 Russia 2 n u Philip L. Taylor J 4 Department of Physics, Case Western Reserve University, Cleveland, Ohio 44106 ] t Abstract f o s We have used coarse-grained simulation methods to investigate the effect of stretching-induced . t a structure orientation on the proton conductivity of Nafion-like polyelectrolyte membranes. Recent m - experimental data on the morphology of ionomers describe Nafion as an aggregation of polymeric d n backbone chains forming elongated objects embedded in a continuous ionic medium. Uniaxial o c [ stretching of a recast Nafion film causes a preferential orientation of these objects in the direction 1 of stretching. Our simulations of humid Nafion show that this has a strong effect on the proton v 8 conductivity, which is enhanced along the stretching direction, while the conductivity perpendicular 8 6 to the stretched polymer backbone is reduced. Stretching also causes the perfluorinated side chains 0 . 6 to orient perpendicular to the stretching axis. This in turn affects the distribution of water at low 0 8 water contents. The water forms a continuous network with narrow bridges between small water 0 : v clusters absorbed in head-group multiplets. i X Keywords: ionomers, proton diffusion, morphology