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Wetting Properties of Molecularly Rough Surfaces

SYSNO ASEP	0448504
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Wetting Properties of Molecularly Rough Surfaces
Author(s)	Svoboda, Martin (UCHP-M)_{RID, SAI, ORCID} Malijevský, Alexandr (UCHP-M)_{RID, ORCID, SAI} Lísal, Martin (UCHP-M)_{RID, ORCID, SAI}
Source Title	Journal of Chemical Physics. - : AIP Publishing - ISSN 0021-9606 Roč. 143, č. 10 (2015), s. 104701
Number of pages	9 s.
Language	eng - English
Country	US - United States
Keywords	contant-angle ; solid-surface ; dynamics
Subject RIV	BJ - Thermodynamics
R&D Projects	GA13-09914S GA ČR - Czech Science Foundation (CSF)
	LH12020 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
Institutional support	UCHP-M - RVO:67985858
UT WOS	000361572900062
EID SCOPUS	84941092320
DOI	10.1063/1.4930084
Annotation	We employ molecular dynamics simulations to study the wettability of nanoscale rough surfaces in systems governed by Lennard-Jones (LJ) interactions. We consider both smooth and molecularly rough planar surfaces. Solid substrates are modeled as a static collection of LJ particles arranged in a face-centered cubic lattice with the (100) surface exposed to the LJ fluid. Molecularly rough solid surfaces are prepared by removing several strips of LJ atoms from the external layers of the substrate, i.e., forming parallel nanogrooves on the surface. We vary the solid-fluid interactions to investigate strongly and weakly wettable surfaces. We determine the wetting properties by measuring the equilibrium droplet profiles that are in turn used to evaluate the contact angles. Macroscopic arguments, such as those leading to Wenzel's law, suggest that surface roughness always amplifies the wetting properties of a lyophilic surface. However, our results indicate the opposite effect from roughness for microscopically corrugated surfaces, i.e., surface roughness deteriorates the substrate wettability.
Workplace	Institute of Chemical Process Fundamentals
Contact	Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227
Year of Publishing	2016

Number of the records: 1