The entropic origin of the enhancement of liquid diffusion close to a neutral confining surface

It is known that, in the proximity of a neutral wall, liquids experience diffusion enhancement relative to their bulk diffusion, but the origin of this phenomenon is still unknown. We report a molecular dynamics simulation investigating the dynamics of a simple liquid in the proximity to a non-interacting smooth confining wall, which exhibits a strong diffusion enhancement within the liquid layers adjacent to the wall. We present an analysis of these results, demonstrating that the observed diffusion enhancement can be accounted for, with numerical accuracy, using the universal scaling law that relates the liquid diffusion rate to the excess entropy. These results show that the scaling law, which has so far only been used for the description of the bulk liquid diffusion, can be successfully used to describe the diffusion in liquids under nano-scale confinement.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-09-03
DOI
https://doi.org/10.1063/5.0224016
Citations
4
Primary Topic
Spectroscopy and Quantum Chemical Studies
Type
article
Field-Weighted Citation Impact
1.35

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article

The entropic origin of the enhancement of liquid diffusion close to a neutral confining surface

W. J. Briels, Lorenzo Agosta, Kersti Hermansson, Mikhail Dzugutov
4 citations
The Journal of Chemical Physics
Spectroscopy and Quantum Chemical Studies
1.35
article

The entropic origin of the enhancement of liquid diffusion close to a neutral confining surface

W. J. Briels, Lorenzo Agosta, Kersti Hermansson, Mikhail Dzugutov
article en
4 citations

Abstract

It is known that, in the proximity of a neutral wall, liquids experience diffusion enhancement relative to their bulk diffusion, but the origin of this phenomenon is still unknown. We report a molecular dynamics simulation investigating the dynamics of a simple liquid in the proximity to a non-interacting smooth confining wall, which exhibits a strong diffusion enhancement within the liquid layers adjacent to the wall. We present an analysis of these results, demonstrating that the observed diffusion enhancement can be accounted for, with numerical accuracy, using the universal scaling law that relates the liquid diffusion rate to the excess entropy. These results show that the scaling law, which has so far only been used for the description of the bulk liquid diffusion, can be successfully used to describe the diffusion in liquids under nano-scale confinement.

The Journal of Chemical PhysicsVol. 161(9)
Uppsala University (SE), Forschungszentrum Jülich (DE), Princeton University (US), University of Twente (NL)
Vetenskapsrådet
Peace, Justice and strong institutions
Openalex Percentile: Top 20%
Spectroscopy and Quantum Chemical Studies
1.35
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The entropic origin of the enhancement of liquid diffusion close to a neutral confining surface — W. J. Briels, Lorenzo Agosta, et al. · The Journal of Chemical Physics (2024) | TGRS Research Map | TGRS