Fluid structure in the immediate vicinity of an equilibrium three-phase contact line and assessment of disjoining pressure models using density functional theory
File(s)
Accepted version
Author(s)
Nold, A
Sibley, DN
Goddard, BD
Kalliadasis, S
Type
Journal Article
Abstract
We examine the nanoscale behavior of an equilibrium three-phase contact line in the presence of long-ranged intermolecular forces by employing a statistical mechanics of fluids approach, namely, density functional theory (DFT) together with fundamental measure theory (FMT). This enables us to evaluate the predictive quality of effective Hamiltonian models in the vicinity of the contact line. In particular, we compare the results for mean field effective Hamiltonians with disjoining pressures defined through (i) the adsorption isotherm for a planar liquid film, and (ii) the normal force balance at the contact line. We find that the height profile obtained using (i) shows good agreement with the adsorption film thickness of the DFT-FMT equilibrium density profile in terms of maximal curvature and the behavior at large film heights. In contrast, we observe that while the height profile obtained by using (ii) satisfies basic sum rules, it shows little agreement with the adsorption film thickness of the DFT results. The results are verified for contact angles of 20°, 40°, and 60°.
Date Issued
2014-07-11
Date Acceptance
2014-06-13
Citation
Physics of Fluids, 2014, 26 (7)
ISSN
1070-6631
Publisher
American Institute of Physics
Journal / Book Title
Physics of Fluids
Volume
26
Issue
7
Copyright Statement
© 2014 AIP Publishing LLC.
Identifier
https://arxiv.org/abs/1406.5465v2
Subjects
Science & Technology
Technology
Physical Sciences
Mechanics
Physics, Fluids & Plasmas
Physics
1ST PRINCIPLE DESCRIPTION
LENNARD-JONES FLUIDS
INTERFACE POTENTIALS
COMPUTER-SIMULATION
FILMS
DROPLETS
Publication Status
Published
Article Number
072001
Date Publish Online
2014-07-11