title: Density functional theory for the recognition of polymer at nanopatterned surface.
abstract: The recognition of homopolymer at nanopatterned surface has been investigated by density functional theory (DFT). Chain conformation and pattern transfer parameter predicted from the DFT are in good agreement with Monte Carlo simulation results. The theory describes satisfactorily the transition from depletion at low packing fractions to adsorption and double-layer adsorption at high packing fractions and also accounts for the crucial effect of the segment-wall interaction. It is found that homopolymer is better recognized at a low bulk density and a stronger interaction with the surface. The polymer can not only recognize the surface but also invert the surface at high bulk densities. The chain in the solution-wall interface exhibits a typical "brush" conformation with a length approximated by half the length of polymer chain.
authors.affiliation: State Key Laboratory of Chemical Engineering, Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China.
authors.forename: Houyang
authors.initials: H
authors.lastname: Chen
authors.forename: Zhencheng
authors.initials: Z
authors.lastname: Ye
authors.forename: Changjun
authors.initials: C
authors.lastname: Peng
authors.forename: Honglai
authors.initials: H
authors.lastname: Liu
authors.forename: Ying
authors.initials: Y
authors.lastname: Hu