Nanoscale Fluid Structure of Liquid-solid-vapour Contact Lines for a Wide Range of Contact Angles
File(s)Andreas_MNNP.pdf (371.26 KB)
Published version
Author(s)
Nold, A
Sibley, DN
Goddard, BD
Kalliadasis, S
Type
Journal Article
Abstract
We study the nanoscale behaviour of the density of a simple fluid in the vicinity of an equilibrium contact line for a wide range of Young contact angles θY ∈ [ 40°,135° ]. Cuts of the density profile at various positions along the contact line are presented, unravelling the apparent step-wise increase of the film height profile observed in contour plots of the density. The density profile is employed to compute the normal pressure acting on the substrate along the contact line. We observe that for the full range of contact angles, the maximal normal pressure cannot solely be predicted by the curvature of the adsorption film height, but is instead softened – likely by the width of the liquid-vapour interface. Somewhat surprisingly however, the adsorption film height profile can be predicted to a very good accuracy by the Derjaguin-Frumkin disjoining pressure obtained from planar computations, as was first shown in [Nold et al., Phys. Fluids, 26, 072001, 2014] for contact angles θY< 90°, a result which here we show to be valid for the full range of contact angles. This suggests that while two-dimensional effects cannot be neglected for the computation of the normal pressure distribution along the substrate, one-dimensional planar computations of the Derjaguin-Frumkin disjoining pressure are sufficient to accurately predict the adsorption height profile.
Date Issued
2015-07-15
Date Acceptance
2015-07-15
Citation
Mathematical Modelling of Natural Phenomena, 2015, 10 (4), pp.111-125
ISSN
0973-5348
Publisher
EDP Sciences
Start Page
111
End Page
125
Journal / Book Title
Mathematical Modelling of Natural Phenomena
Volume
10
Issue
4
Copyright Statement
© EDP Sciences, 2015
Subjects
Science & Technology
Life Sciences & Biomedicine
Physical Sciences
Mathematical & Computational Biology
Mathematics, Interdisciplinary Applications
Multidisciplinary Sciences
Mathematics
Science & Technology - Other Topics
adsorption
contact line
simple fluid
disjoining pressure
Derjaguin-Frumkin
Hamiltonian
DENSITY-FUNCTIONAL THEORY
PLANAR ADSORBED FILMS
DISJOINING PRESSURE
WETTING TRANSITIONS
INTERFACE
SIMULATION
TENSION
REGIMES
Publication Status
Published