Document Detail


Molecular Dynamics Study on the Effect of Lewis Acid Centers in Poly(ethylene oxide)/LiClO<sub>4</sub> Polymer Electrolyte.
MedLine Citation:
PMID:  22074498     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
Molecular Dynamics simulations employing polarizable force field have been performed for model poly(ethylene oxide)/LiClO4 electrolytes with boron or aluminum centers. Influence of Lewis acid centers on radial distribution functions, coordination numbers, percentage of free cations, diffusion coefficients and conductivity has been investigated. Results confirm the effect of acid centers on ion complexation and show that the properties of the electrolyte result from interplay of different interactions.
Authors:
Andrzej Eilmes; Piotr Kubisiak
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-11-10
Journal Detail:
Title:  The journal of physical chemistry. B     Volume:  -     ISSN:  1520-5207     ISO Abbreviation:  -     Publication Date:  2011 Nov 
Date Detail:
Created Date:  2011-11-14     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101157530     Medline TA:  J Phys Chem B     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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