We have used the dissipative particle dynamics (DPD) method in the grand canonical ensemble to study the compression of grafted polymer brushes in good solvent conditions. The force-distance profiles calculated from DPD simulations in the grand canonical ensemble are in very good agreement with the self-consistent field (SCF) theoretical models and with experimental results for two polystyrene ...

– Charged polymer brushes are layers of surface-tethered chains. Experimental systems are frequently strongly charged. Here we calculate phase diagrams for such brushes in terms of salt concentration ns, grafting density and polymer backbone charge density. Electrostatic stiffening and counterion condensation effects arise which are absent from weakly charged brushes. In various phases chains a...

Buffer layers that control electrochemical reactions and physical interactions at electrode/film interfaces are key components of an organic photovoltaic cell. Here the structure and properties of layers of semi-rigid poly(3-hexylthiophene) (P3HT) chains tethered at a surface are investigated, and these functional systems are applied in an organic photovoltaic device. Areal density of P3HT chai...

We present a technique for painterly renderings that follows a decomposition of the canvas into a set of regions and layers (coarse to fine). The regions reflect the spatial arrangement of the composition and the order in which the painting is to be created (typically back to front), and are produced in a way that new strokes only minimally paint over existing ones. Layers reflect the applicati...

Three-dimensional direct numerical simulations (DNS) of two different flow configurations have been performed for premixed flames interacting with chemically inert isothermal walls at the unburned gas temperature in fully developed turbulent boundary layers . The first configuration is an oblique flame-wall interaction (FWI) a V-flame channel and second head-on quenching planar flame layer. The...

We consider a polymer brush grafted to a surface (acting as an electrode) and bearing a charged group at its free end. Using a second distant electrode, the brush is subject to a constant electric field. Based on a coarse-grained continuum model, we calculate the average brush height and find that the brush can stretch or compress depending on the applied field and charge end-group. We further ...

The presence of polymer chains grafted or adsorbed onto a surface can dramatically alter the forces that affect interactions between surfaces. The equilibrium properties of such polymer brush systems have been studied for the past two decades, yielding general agreement between theory and experiment. Conversely, the nonequilibrium properties of polymer brushes are still under intense theoretica...