Simulations of structure and transport in polymer electrolytes

Payne, Vilia Ann, Lonergan, Mark C., Forsyth, Maria, Ratner, Mark A., Shriver, Duward F., de Leeuw, Simon W. and Perram, John W. 1995, Simulations of structure and transport in polymer electrolytes, Solid state ionics, vol. 81, no. 3-4, pp. 171-181, doi: 10.1016/0167-2738(95)00188-C.

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Title Simulations of structure and transport in polymer electrolytes
Author(s) Payne, Vilia Ann
Lonergan, Mark C.
Forsyth, MariaORCID iD for Forsyth, Maria
Ratner, Mark A.
Shriver, Duward F.
de Leeuw, Simon W.
Perram, John W.
Journal name Solid state ionics
Volume number 81
Issue number 3-4
Start page 171
End page 181
Publisher Elsevier
Place of publication Amsterdam, The Netherlands
Publication date 1995-11-01
ISSN 0167-2738
Summary 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.
Language eng
DOI 10.1016/0167-2738(95)00188-C
Field of Research 039999 Chemical Sciences not elsewhere classified
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©1995, Elsevier Science B.V.
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