Heterogeneous structures in layers of grafted polymer chains

1988 
3 method for analyzing the structure of a layer of polymer chains grafted to a surface has been developed without an assumption that the layer is homogeneous. The layer was simulated by a system of sublayers of constant density. Numerical calculations were performed by computer for 1–5 and 10 sublayers under all the regimes of a temperature-concentration diagram of state for the layer. It was found that the free energy minimum corresponds to a monotonic diminution in the layer density as the distance from the grafting plane increases. Distribution functions for the units according to the layer height are displaced towards the outer boundary of the layer and grow wider as the unit number increases. When heterogeneity is taken into account it does not affect the conclusion previously reached concerning segregation of two opposing layers.
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