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Adsorption of small amphiphilic molecules occurs in various biological andtechnological processes, sometimes desired, the other times unwanted (e.g.,contamination). Surface-active molecules preferentially bind to interfaces andaffect their wetting properties. We study the adsorption of short-chainedalcohols (simple surfactants) to the water-vapor interface and solid surfacesof various polarities using molecular dynamics simulations. The analysisenables us to establish a theoretical expression for the adsorptioncoefficient, which exponentially scales with the molecular surface area and thesurface wetting coefficient, and which is in good agreement with the simulationresults. The competition of the adsorptions to both interfaces of a sessiledroplet alters its contact angle in a nontrivial way. The influence ofsurfactants is strongest on very hydrophilic and very hydrophobic surfaces,whereas droplets on surfaces of moderate hydrophilicity are much less affected.

Tuning contact angles of aqueous droplets on hydrophilic and hydrophobic surfaces by surfactants