Density functional theory for inhomogeneous polymer systems. II. Application to block copolymer thin films

摘要: We use polymer reference interaction site model (PRISM)-based density functional theory (DFT) to study the structures and morphologies of block copolymer thin films. The polymers are modeled as freely jointed chains, allowing numerical solution nonlinear DFT equations. PRISM with allows inclusion compressibility local packing effects due finite size monomers. also employ a pseudo-arclength continuation algorithm locate phase transitions new morphologies. symmetric diblock copolymers confined between two parallel surfaces which both attract one component diblock, for different values AB segregation strength various surface interactions. predicted equilibrium in good qualitative agreement previous self-consistent field calculations consistent experiment. able resolve detailed structure near surfaces. find that enhance stability perpendicular