Microscopic aspects of wetting using classical density-functional theory.
File(s)Manuscript_JPCM-110775_Revised.pdf (630.85 KB)
Accepted version
Author(s)
Yatsyshin, Peter
Duran-Olivencia, Miguel A
Kalliadasis, Serafim
Type
Journal Article
Abstract
Wetting is a rather efficient mechanism for nucleation of a phase (typically liquid) on the interface
between two other phases (typically solid and gas). In many experimentally
accessible cases of wetting, the interplay between the substrate structure,
and the fluid-fluid and fluid-substrate intermolecular interactions brings
about an entire ``zoo" of possible fluid configurations, such as liquid
films with a thickness of a few nanometers, liquid nanodrops and liquid
bridges. These fluid configurations are often associated with phase
transitions occurring at the solid-gas interface and at lengths of just
several molecular diameters away from the substrate. In this special issue
article, we demonstrate how a fully microscopic classical
density-functional framework can be applied to the efficient, rational and
systematic exploration of the rich phase space of wetting phenomena. We
consider a number of model prototype systems such as wetting on a planar
wall, a chemically patterned wall and a wedge. Through density-functional
computations we demonstrate that for these simply structured substrates the
behaviour of the solid-gas interface is already highly complex and
non-trivial.
Date Issued
2018-07-11
Date Acceptance
2018-05-22
Citation
Journal of Physics: Condensed Matter, 2018, 30 (27)
ISSN
0953-8984
Publisher
IOP Publishing
Journal / Book Title
Journal of Physics: Condensed Matter
Volume
30
Issue
27
Copyright Statement
© 2018 IOP Publishing Ltd. Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence (https://creativecommons.org/licenses/by/4.0/). Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI
Sponsor
Commission of the European Communities
Engineering & Physical Science Research Council (E
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/29786608
Grant Number
247031
EP/K503733/1
EP/L025159/1
EP/L020564/1
EP/L027186/1
Subjects
classical density functional theory
phase transitions
wetting
Publication Status
Published online
Coverage Spatial
England
Article Number
274003
Date Publish Online
2018-06-12