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Computer simulation of ionically conducting polymers

โœ Scribed by C.R.A. Catlow; G.E. Mills


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
450 KB
Volume
40
Category
Article
ISSN
0013-4686

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โœฆ Synopsis


We investigate the structural and dynamic properties of the NaI/PEO polymer electrolyte systems using molecular dynamics simulation techniques. Our simulations, which are performed as a function of both temperature and salt concentration, emphasise the role of ionic association in these materials. The diffusion coefftcients calculated for both Naf and I-are in reasonable agreement with experiment.


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