Line Tension and Wettability of Nanodrops on Curved Surfaces

Research output: Contribution to journalArticleAcademicpeer-review

15 Citations (Scopus)

Abstract

In this work we study the formation of nanodrops on curved surfaces (both convex and concave) by means of molecular dynamics simulations, where the particles interact via a Lennard-Jones potential. We find that the contact angle is not affected by the curvature of the substrate, in agreement with previous experimental findings. This means that the change in curvature of the drop in response to the change in curvature of the substrate can be predicted from simple geometrical considerations, under the assumption that the drop’s shape is a spherical cap, and that the volume remains unchanged through the curvature. The resulting prediction is in perfect agreement with the simulation results, for both convex and concave substrates. In addition, we calculate the line tension, namely, by fitting the contact angle for different size drops to the modified Young equation. We find that the line tension for concave surfaces is larger than for convex surfaces, while for zero curvature it has a clear maximum. This feature is found to be correlated with the number of particles in the first layer of the liquid on the surface.
Original languageEnglish
Pages (from-to)316-321
Number of pages6
JournalLangmuir
Volume32
Issue number1
DOIs
Publication statusPublished - 2016

Fingerprint

curved surfaces
wettability
Wetting
curvature
Contact angle
Substrates
Lennard-Jones potential
spherical caps
drop size
Molecular dynamics
simulation
molecular dynamics
Computer simulation
Liquids
liquids
predictions

Keywords

  • IR-100771
  • METIS-317326

Cite this

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title = "Line Tension and Wettability of Nanodrops on Curved Surfaces",
abstract = "In this work we study the formation of nanodrops on curved surfaces (both convex and concave) by means of molecular dynamics simulations, where the particles interact via a Lennard-Jones potential. We find that the contact angle is not affected by the curvature of the substrate, in agreement with previous experimental findings. This means that the change in curvature of the drop in response to the change in curvature of the substrate can be predicted from simple geometrical considerations, under the assumption that the drop’s shape is a spherical cap, and that the volume remains unchanged through the curvature. The resulting prediction is in perfect agreement with the simulation results, for both convex and concave substrates. In addition, we calculate the line tension, namely, by fitting the contact angle for different size drops to the modified Young equation. We find that the line tension for concave surfaces is larger than for convex surfaces, while for zero curvature it has a clear maximum. This feature is found to be correlated with the number of particles in the first layer of the liquid on the surface.",
keywords = "IR-100771, METIS-317326",
author = "Shantanu Maheshwari and {van der Hoef}, {Martin Anton} and Detlef Lohse",
year = "2016",
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Line Tension and Wettability of Nanodrops on Curved Surfaces. / Maheshwari, Shantanu; van der Hoef, Martin Anton; Lohse, Detlef.

In: Langmuir, Vol. 32, No. 1, 2016, p. 316-321.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Line Tension and Wettability of Nanodrops on Curved Surfaces

AU - Maheshwari, Shantanu

AU - van der Hoef, Martin Anton

AU - Lohse, Detlef

PY - 2016

Y1 - 2016

N2 - In this work we study the formation of nanodrops on curved surfaces (both convex and concave) by means of molecular dynamics simulations, where the particles interact via a Lennard-Jones potential. We find that the contact angle is not affected by the curvature of the substrate, in agreement with previous experimental findings. This means that the change in curvature of the drop in response to the change in curvature of the substrate can be predicted from simple geometrical considerations, under the assumption that the drop’s shape is a spherical cap, and that the volume remains unchanged through the curvature. The resulting prediction is in perfect agreement with the simulation results, for both convex and concave substrates. In addition, we calculate the line tension, namely, by fitting the contact angle for different size drops to the modified Young equation. We find that the line tension for concave surfaces is larger than for convex surfaces, while for zero curvature it has a clear maximum. This feature is found to be correlated with the number of particles in the first layer of the liquid on the surface.

AB - In this work we study the formation of nanodrops on curved surfaces (both convex and concave) by means of molecular dynamics simulations, where the particles interact via a Lennard-Jones potential. We find that the contact angle is not affected by the curvature of the substrate, in agreement with previous experimental findings. This means that the change in curvature of the drop in response to the change in curvature of the substrate can be predicted from simple geometrical considerations, under the assumption that the drop’s shape is a spherical cap, and that the volume remains unchanged through the curvature. The resulting prediction is in perfect agreement with the simulation results, for both convex and concave substrates. In addition, we calculate the line tension, namely, by fitting the contact angle for different size drops to the modified Young equation. We find that the line tension for concave surfaces is larger than for convex surfaces, while for zero curvature it has a clear maximum. This feature is found to be correlated with the number of particles in the first layer of the liquid on the surface.

KW - IR-100771

KW - METIS-317326

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