Molecular Dynamics of Wetting and Drying at Solid-Fluid Interfaces
- 1 January 1989
- journal article
- Published by IOP Publishing in Physica Scripta
- Vol. T25, 256-260
- https://doi.org/10.1088/0031-8949/1989/t25/047
Abstract
The adsorption of a fluid at a structured solid substrate is studied with the aid of the Delft Molecular Dynamics Processor (DMDP). 2904 particles form a solid substrate and some 8500 particles are in a fluid phase. All particles interact through 12-6 Lennard-Jones potentials cut off at 2.5σ. The solid particles are heavier and interact stronger than the fluid particles. The mutual fluid-substrate interaction is varied while the temperature is held constant. Density profiles, coverages and surface tensions are measured as function of the fluid-wall affinity. Two first-order transitions separate the dry, the partial dry (or partial wet) and the wet regime. In the wet region a search for prewetting is carried out yielding the existence of a prewetting line. Independent visual measurements of the contact angles are performed and the results are compared with the surface tension data.Keywords
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