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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...

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Detalles Bibliográficos
Autores principales: Jiang, Chuntao, Zhang, Yongbin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
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
Descripción
Sumario: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.