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Fluid structure in the immediate vicinity of an equilibrium three-phase contact line and assessment of disjoining pressure models using density functional theory

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posted on 01.10.2018 by Andreas Nold, David Sibley, Benjamin D. Goddard, Serafim Kalliadasis
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◦.

History

School

  • Science

Department

  • Mathematical Sciences

Published in

Physics of Fluids

Volume

26

Citation

NOLD, A. ... et al., 2014. Fluid structure in the immediate vicinity of an equilibrium three-phase contact line and assessment of disjoining pressure models using density functional theory. Physics of Fluids, 26: 072001.

Publisher

© American Institute of Physics (AIP)

Version

VoR (Version of Record)

Acceptance date

13/06/2014

Publication date

2014

Notes

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in (citation of published article) and may be found at (URL/link for published article abstract).

ISSN

1089-7666

Language

en

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