Macroscopic relations for microscopic properties at the interface between solid substrates and dense fluids
File(s)FQ10059_Revised_Manuscript.pdf (3.86 MB)
Accepted version
Author(s)
Russo, Antonio
Durán-Olivencia, Miguel A
Kalliadasis, Serafim
Hartkamp, Remco
Type
Journal Article
Abstract
Strongly confined fluids exhibit inhomogeneous properties due to atomistic structuring in close proximity to a solid surface. State variables and transport coefficients at a solid-fluid interface vary locally and become dependent on the properties of the confining walls. However, the precise mechanisms for these effects are not known as of yet. Here, we make use of nonequilibrium molecular dynamics simulations to scrutinize the local fluid properties at the solid-fluid interface for a range of surface conditions and temperatures. We also derive microscopic relations connecting fluid viscosity and density profiles for dense fluids. Moreover, we propose empirical ready-to-use relations to express the average density and viscosity in the channel as a function of temperature, wall interaction strength, and bulk density or viscosity. Such relations are key to technological applications such as micro-/nanofluidics and tribology but also natural phenomena.
Date Issued
2019-06-06
Date Acceptance
2019-05-08
Citation
Journal of Chemical Physics, 2019, 150 (21)
ISSN
0021-9606
Publisher
AIP Publishing
Journal / Book Title
Journal of Chemical Physics
Volume
150
Issue
21
Copyright Statement
© 2019 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in J. Chem. Phys. 150, 214705 (2019); https://doi.org/10.1063/1.5094911 and may be found at [insert hyperlinked DOI]
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/31176311
Subjects
Chemical Physics
02 Physical Sciences
03 Chemical Sciences
09 Engineering
Publication Status
Published
Coverage Spatial
United States
Article Number
214705
Date Publish Online
2019-06-06