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Simulations of structure and transport in polymer electrolytes

journal contribution
posted on 01.11.1995, 00:00 authored by V Payne, M Lonergan, Maria ForsythMaria Forsyth, M Ratner, D Shriver, S de Leeuw, J Perram
Simulations implementing both Monte Carlo (MC) and molecular dynamics (MD) techniques were used to explore various aspects of polymer electrolytes. Evidence is presented to support the conclusion that collective behavior of ions determines much of the behavior of these complex materials. Simple theories attributing ion transport to either single ions or clusters of three ions are inadequate to explain ion transport behavior; in particular, the Nernst-Einstein relation commonly used to discuss polymer electrolytes is almost certainly quantitatively inappropriate for these materials.

History

Journal

Solid state ionics

Volume

81

Issue

3-4

Pagination

171 - 181

Publisher

Elsevier

Location

Amsterdam, The Netherlands

ISSN

0167-2738

eISSN

1872-7689

Language

eng

Publication classification

C1.1 Refereed article in a scholarly journal

Copyright notice

1995, Elsevier Science B.V.