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

Abstract

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.

Keywords

• superspreading
• surfactant-laden droplets
• molecular dynamics simulation
• all-atom models
• coarse-grained models
• molecular mechanisms
• spreading
• adsorption
• superspreaders
• water droplets