Stiffness and conformations of molecular bottle-brushes strongly adsorbed on a flat surface
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A theory of the conformational behavior and analysis of the persistence length of molecular bottle-brushes strongly adsorbed on a flat surface in a good solvent is presented. For long enough side chains we have shown that the adsorption of a small fraction of side chains already leads to significant increase of the stiffness and drastic conformational changes of the brush in comparison with the 3D case. For a symmetrical distribution of the adsorbed side chains with respect to the backbone, the equilibrium conformation of the brush is close to a rod-like one due to the very large stiffness of the molecule. Under certain conditions the excluded-volume interactions of the side chains of an asymmetrical brush can lead to its bending or twisting in spiral. The obtained results are in good agreement with computer simulations.
KeywordsComputer Simulation Conformational Change Flat Surface Symmetrical Distribution Persistence Length
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