Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall.

ABSTRACT: The wetting of surfaces is strongly influenced by adsorbate layers. Therefore, in this work, sessile drops and their interaction with adsorbate layers on surfaces were investigated by molecular dynamics simulations. Binary fluid model mixtures were considered. The two components of the fluid mixture have the same pure component parameters, but one component has a stronger and the other a weaker affinity to the surface. Furthermore, the unlike interactions between both components were varied. All interactions were described by the Lennard-Jones truncated and shifted potential with a cutoff radius of 2.5σ. The simulations were carried out at constant temperature for mixtures of different compositions. The parameters were varied systematically and chosen such that cases with partial wetting a

SUBMITTER: Heier M 

PROVIDER: S-EPMC8280723 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature