2007/09/20 by Arijit Maitra, Andreas Heuer
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advanced Battery Materials and Technologies #Electrostatics and Colloid Interactions #Material Dynamics and Properties #cond-mat.mtrl-sci #cond-mat.soft
paper · pdf · doi:10.1002/macp.200700265
published as Macromolecular Chemistry and Physics, Vol 208, Iss. 19-20, pg. 2215, 2007
openalex publication_date 2007/09/20 · arxiv created 2008/04/14 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Abstract We study the segmental dynamics of poly(ethylene oxide) (PEO) from microscopic simulations in the neat polymer and a polymer electrolyte (PEO/LiBF 4 ) by analyzing the normal modes. We verify the applicability of the Rouse theory, specifically for the polymer electrolyte where dynamic heterogeneities, arising from cation–polymer interactions, alter the mobility non‐uniformly along the chains. We find that the Rouse modes for both the systems are orthogonal despite the presence of non‐exponential relaxation of the modes and violation of the Gaussian self‐similarity of the chains. The slowdown of the segmental dynamics in the polymer electrolyte is rationalized by an order of magnitude increase in the friction coefficient for those monomers which are bound by cations. In general, for the electrolyte the Rouse predictions for the dynamics of segments (both free and/or bound) agree well except for very short times. magnified image