A density functional study of the structure of tethered chains in a binary mixture

Abstract

A density functional study of the structure of a layer formed by chain molecules pinned to a solid surface is presented. The chains aremodeled as freely joined spheres. Segments and all components interact via Lennard-Jones (12-6) potential. The interactions of fluid molecules with the wall are described by the Lennard-Jones (9-3) potential. We analyze how different parameters of the model affect the dependence of the brush height upon the mixture composition. We consider the effect of grafting density and the parameters characterizing the interactions of fluid molecules with the substrate and with the chains as well as interactions within the mixture. The changes in the brush height correlate with the adsorption of particular components. © M. Borówko, T. Staszewski, 2012.