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Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows
Mathematically formulating nanochannel flows is challenging. Here, the values of the characteristic parameters were extracted from molecular dynamics simulation (MDS), and directly input to the closed-form explicit flow factor approach model (FFAM) for nanochannel flows. By this way, the physical na...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8748866/ https://www.ncbi.nlm.nih.gov/pubmed/35013479 http://dx.doi.org/10.1038/s41598-021-04391-5 |
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author | Jiang, Chuntao Zhang, Yongbin |
author_facet | Jiang, Chuntao Zhang, Yongbin |
author_sort | Jiang, Chuntao |
collection | PubMed |
description | Mathematically formulating nanochannel flows is challenging. Here, the values of the characteristic parameters were extracted from molecular dynamics simulation (MDS), and directly input to the closed-form explicit flow factor approach model (FFAM) for nanochannel flows. By this way, the physical nature of the simulated system in FFAM is the same with that in MDS. Two nano slit channel heights respectively with two different liquid-channel wall interactions were addressed. The flow velocity profiles across the channel height respectively calculated from MDS and FFAM were compared. By introducing the equivalent value [Formula: see text] , FFAM fairly agrees with MDS for all the cases. The study values FFAM in simulating nanochannel flows. |
format | Online Article Text |
id | pubmed-8748866 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-87488662022-01-11 Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows Jiang, Chuntao Zhang, Yongbin Sci Rep Article Mathematically formulating nanochannel flows is challenging. Here, the values of the characteristic parameters were extracted from molecular dynamics simulation (MDS), and directly input to the closed-form explicit flow factor approach model (FFAM) for nanochannel flows. By this way, the physical nature of the simulated system in FFAM is the same with that in MDS. Two nano slit channel heights respectively with two different liquid-channel wall interactions were addressed. The flow velocity profiles across the channel height respectively calculated from MDS and FFAM were compared. By introducing the equivalent value [Formula: see text] , FFAM fairly agrees with MDS for all the cases. The study values FFAM in simulating nanochannel flows. Nature Publishing Group UK 2022-01-10 /pmc/articles/PMC8748866/ /pubmed/35013479 http://dx.doi.org/10.1038/s41598-021-04391-5 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Jiang, Chuntao Zhang, Yongbin Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows |
title | Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows |
title_full | Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows |
title_fullStr | Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows |
title_full_unstemmed | Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows |
title_short | Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows |
title_sort | direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8748866/ https://www.ncbi.nlm.nih.gov/pubmed/35013479 http://dx.doi.org/10.1038/s41598-021-04391-5 |
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