The vicinity of an equilibrium three-phase contact line using density-functional theory: density profiles normal to the fluid interface
File(s)Nold_etal_Note_R3.pdf (367.62 KB)
Accepted version
Author(s)
Nold, A
González MacDowell, L
Sibley, DN
Goddard, BD
Kalliadasis, S
Type
Journal Article
Abstract
The paper by Nold et al. [Phys. Fluids 26 (7), 072001 (2014)] examined density profiles and the micro-scale structure of an equilibrium three-phase (liquid–vapour–solid) contact line in the immediate vicinity of the wall using elements from the statistical mechanics of classical fluids, namely density-functional theory. The present research note, building on the above work, further contributes to our understanding of the nanoscale structure of a contact line by quantifying the strong dependence of the liquid–vapour density profile on the normal distance to the interface, when compared to the dependence on the vertical distance to the substrate. A recent study by Benet et al. [J. Phys. Chem. C 118 (38), 22079 (2014)] has shown that this could explain the emergence of a film-height-dependent surface tension close to the wall, with implications for the Frumkin–Derjaguin theory.
Date Issued
2018-05-27
Date Acceptance
2018-03-28
Citation
Molecular Physics, 2018, 116 (17), pp.2239-2243
ISSN
0026-8976
Publisher
Taylor & Francis
Start Page
2239
End Page
2243
Journal / Book Title
Molecular Physics
Volume
116
Issue
17
Copyright Statement
© 2018 Taylor & Francis. This is an Accepted Manuscript of an article published by Taylor & Francis in Molecular Physics on 27th May 2018, available online: https://dx.doi.org/10.1080/00268976.2018.1471223
Sponsor
Commission of the European Communities
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Identifier
https://www.tandfonline.com/doi/full/10.1080/00268976.2018.1471223
Grant Number
247031
EP/L025159/1
EP/L020564/1
EP/L027186/1
Subjects
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
Micro/nanoscale phenomena
non-continuum effects
density-functional theory
contact lines
film-height-dependent surface tension
0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
0306 Physical Chemistry (incl. Structural)
0307 Theoretical and Computational Chemistry
Chemical Physics
Publication Status
Published
Date Publish Online
2018-05-27