Molecular Dynamics Simulation of the Superspreading of Surfactant-Laden Droplets. A Review

Superspreading is the rapid and complete spreading of surfactant-laden droplets on hydrophobic substrates. This phenomenon has been studied for many decades by experiment, theory, and simulation, but it has been only recently that molecular-level simulation has provided significant insights into the...

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Bibliographic Details
Main Authors: Panagiotis E. Theodorakis, Edward R. Smith, Richard V. Craster, Erich A. Müller, Omar K. Matar
Format: Article
Language:English
Published: MDPI AG 2019-10-01
Series:Fluids
Subjects:
Online Access:https://www.mdpi.com/2311-5521/4/4/176
Description
Summary:Superspreading is the rapid and complete spreading of surfactant-laden droplets on hydrophobic substrates. This phenomenon has been studied for many decades by experiment, theory, and simulation, but it has been only recently that molecular-level simulation has provided significant insights into the underlying mechanisms of superspreading thanks to the development of accurate force-fields and the increase of computational capabilities. Here, we review the main advances in this area that have surfaced from Molecular Dynamics simulation of all-atom and coarse-grained models highlighting and contrasting the main results and discussing various elements of the proposed mechanisms for superspreading. We anticipate that this review will stimulate further research on the interpretation of experimental results and the design of surfactants for applications requiring efficient spreading, such as coating technology.
ISSN:2311-5521