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The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel
In the present work, non-equilibrium molecular dynamics (MD) simulations are used to investigate the flow of liquid water between two metallic solid atomistic smooth walls. The present work focuses on the combined effect of external electric field and driving force on the slip behaviour and structur...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8457446/ https://www.ncbi.nlm.nih.gov/pubmed/34551001 http://dx.doi.org/10.1371/journal.pone.0257589 |
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author | Liu, Qiwei Wang, Dezheng Yu, Miao Cong, Biao Yu, Xiaopeng |
author_facet | Liu, Qiwei Wang, Dezheng Yu, Miao Cong, Biao Yu, Xiaopeng |
author_sort | Liu, Qiwei |
collection | PubMed |
description | In the present work, non-equilibrium molecular dynamics (MD) simulations are used to investigate the flow of liquid water between two metallic solid atomistic smooth walls. The present work focuses on the combined effect of external electric field and driving force on the slip behaviour and structure of liquid water at the solid-water interface. The upper wall of the set model is positively charged, and the lower wall of the model is negatively charged. The simulation results show that as the driving force increases, the slip length also increases. At a given driving force, no matter how the electric field intensity changes, there is almost no change in the slip length, so the slip length is independent of the electric field strength. In addition, the results found that there is a linear relationship between the slip length and the normalised main peak of the static structure factor under different driving forces. |
format | Online Article Text |
id | pubmed-8457446 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Public Library of Science |
record_format | MEDLINE/PubMed |
spelling | pubmed-84574462021-09-23 The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel Liu, Qiwei Wang, Dezheng Yu, Miao Cong, Biao Yu, Xiaopeng PLoS One Research Article In the present work, non-equilibrium molecular dynamics (MD) simulations are used to investigate the flow of liquid water between two metallic solid atomistic smooth walls. The present work focuses on the combined effect of external electric field and driving force on the slip behaviour and structure of liquid water at the solid-water interface. The upper wall of the set model is positively charged, and the lower wall of the model is negatively charged. The simulation results show that as the driving force increases, the slip length also increases. At a given driving force, no matter how the electric field intensity changes, there is almost no change in the slip length, so the slip length is independent of the electric field strength. In addition, the results found that there is a linear relationship between the slip length and the normalised main peak of the static structure factor under different driving forces. Public Library of Science 2021-09-22 /pmc/articles/PMC8457446/ /pubmed/34551001 http://dx.doi.org/10.1371/journal.pone.0257589 Text en © 2021 Liu et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. |
spellingShingle | Research Article Liu, Qiwei Wang, Dezheng Yu, Miao Cong, Biao Yu, Xiaopeng The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel |
title | The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel |
title_full | The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel |
title_fullStr | The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel |
title_full_unstemmed | The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel |
title_short | The influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel |
title_sort | influences of electric field intensity and driving force on the slip behaviour of water flow in a nanochannel |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8457446/ https://www.ncbi.nlm.nih.gov/pubmed/34551001 http://dx.doi.org/10.1371/journal.pone.0257589 |
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