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

Borowko, Staszewski
2012 Condensed Matter Physics  
A density functional study of the structure of a layer formed by chain molecules pinned to a solid surface is presented. The chains are modeled 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
more » ... e 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.
doi:10.5488/cmp.15.23603 fatcat:2ixj77732zaajioefpw7igi7pa