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Role of Viscosity in Deviations from the Nernst–Einstein Relation

[Image: see text] Deviations from the Nernst–Einstein relation are commonly attributed to ion–ion correlation and ion pairing. Despite the fact that these deviations can be quantified by either experimental measurements or molecular dynamics simulations, there is no rule of thumb to tell the extent...

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Autores principales: Shao, Yunqi, Shigenobu, Keisuke, Watanabe, Masayoshi, Zhang, Chao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7497660/
https://www.ncbi.nlm.nih.gov/pubmed/32412758
http://dx.doi.org/10.1021/acs.jpcb.0c02544
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author Shao, Yunqi
Shigenobu, Keisuke
Watanabe, Masayoshi
Zhang, Chao
author_facet Shao, Yunqi
Shigenobu, Keisuke
Watanabe, Masayoshi
Zhang, Chao
author_sort Shao, Yunqi
collection PubMed
description [Image: see text] Deviations from the Nernst–Einstein relation are commonly attributed to ion–ion correlation and ion pairing. Despite the fact that these deviations can be quantified by either experimental measurements or molecular dynamics simulations, there is no rule of thumb to tell the extent of deviations. Here, we show that deviations from the Nernst–Einstein relation are proportional to the inverse viscosity by exploring the finite-size effect on transport properties under periodic boundary conditions. This conclusion is in accord with the established experimental results of ionic liquids.
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spelling pubmed-74976602020-09-18 Role of Viscosity in Deviations from the Nernst–Einstein Relation Shao, Yunqi Shigenobu, Keisuke Watanabe, Masayoshi Zhang, Chao J Phys Chem B [Image: see text] Deviations from the Nernst–Einstein relation are commonly attributed to ion–ion correlation and ion pairing. Despite the fact that these deviations can be quantified by either experimental measurements or molecular dynamics simulations, there is no rule of thumb to tell the extent of deviations. Here, we show that deviations from the Nernst–Einstein relation are proportional to the inverse viscosity by exploring the finite-size effect on transport properties under periodic boundary conditions. This conclusion is in accord with the established experimental results of ionic liquids. American Chemical Society 2020-05-15 2020-06-11 /pmc/articles/PMC7497660/ /pubmed/32412758 http://dx.doi.org/10.1021/acs.jpcb.0c02544 Text en Copyright © 2020 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
spellingShingle Shao, Yunqi
Shigenobu, Keisuke
Watanabe, Masayoshi
Zhang, Chao
Role of Viscosity in Deviations from the Nernst–Einstein Relation
title Role of Viscosity in Deviations from the Nernst–Einstein Relation
title_full Role of Viscosity in Deviations from the Nernst–Einstein Relation
title_fullStr Role of Viscosity in Deviations from the Nernst–Einstein Relation
title_full_unstemmed Role of Viscosity in Deviations from the Nernst–Einstein Relation
title_short Role of Viscosity in Deviations from the Nernst–Einstein Relation
title_sort role of viscosity in deviations from the nernst–einstein relation
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7497660/
https://www.ncbi.nlm.nih.gov/pubmed/32412758
http://dx.doi.org/10.1021/acs.jpcb.0c02544
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