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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2020
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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. |
format | Online Article Text |
id | pubmed-7497660 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American Chemical
Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT shaoyunqi roleofviscosityindeviationsfromthenernsteinsteinrelation AT shigenobukeisuke roleofviscosityindeviationsfromthenernsteinsteinrelation AT watanabemasayoshi roleofviscosityindeviationsfromthenernsteinsteinrelation AT zhangchao roleofviscosityindeviationsfromthenernsteinsteinrelation |