Janus dumbbells near surfaces modified with tethered chains

Abstract

Adsorption of dumbbell-shaped particles on polymer-tethered surfaces is studied using molecular dynamics simulations. The bonded layers are built of chains containing “active groups”, while the particles consist of two “chemically” different monomers. We analyze the structure of the surface layers, the excess adsorption isotherms of the dumbbells and their retention in a chromatographic process. We discuss how selected parameters affect the behavior of Janus dumbbells near the polymer layers. We show that the structure of the surface layer mainly depends on the position of the active groups in the chains and the assumed particle-chain interactions. The particles penetrate the polymer layer and accumulate close to the active groups.