2024
DOI: 10.1021/acs.jpcc.4c01765
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Molecular Dynamics Study of Adsorption and Wetting of Mixtures of Simple Fluids on Planar Walls

David Fertig,
Hans Hasse,
Simon Stephan

Abstract: The influence of molecular interactions on the adsorption and wetting of binary mixtures was studied by molecular dynamics simulations of sessile droplets on planar walls. The results provide insights into the competing effects between the fluid− fluid interactions and the solid−fluid interactions on the adsorption and wetting of mixtures. All interactions were modeled by the Lennard-Jones truncated−shifted (LJTS) potential. The influence of the different dispersive interactions in the fluid mixture as well as… Show more

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