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The vicinity of an equilibrium three-phase contact line using density-functional theory: density profiles normal to the fluid interface
Authors:Andreas Nold  Luis González MacDowell  David N Sibley  Benjamin D Goddard
Institution:1. Theory of Neural Dynamics Group, Max-Planck-Insititute for Brain Research, Frankfurt am Main, Germany;2. Department of Chemical Engineering, Imperial College London, London, UK;3. Departamento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense, Madrid, Spain;4. Department of Mathematical Sciences, Loughborough University, Loughborough, UK;5. School of Mathematics and Maxwell Institute for Mathematical Sciences, The University of Edinburgh, Edinburgh, UK
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.
Keywords:Micro/nanoscale phenomena  non-continuum effects  density-functional theory  contact lines  film-height-dependent surface tension
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