Abstract
We use density functional theory to investigate adsorption on the solid surfaces modified with end-grafted chains with embedded attractive groups. The chains are modelled as freely joined spheres. They consist of segments A and a short block of segments B that mimics the functional group. The fluid molecules are spherical. All species interact via the Lennard-Jones (12-6) potential. The substrate is inert with respect to the chain segments and free molecules. We investigate the impact of the position of the B-block on adsorption of pure fluids, adsorption from binary solutions, the selectivity of the adsorption systems as well as on the structure of the bonded phase.
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