Abstract
This talk presents predictions from a nonlocal density functional theory for polyelectrolytes near oppositely charged surfaces, end tethered to a wall, or confined in spherical virial capsids. We found that the Coulomb attraction between opposite charges results in a suppressed intra-chain correlation but magnified excluded-volume effects. The theory predicts segment-level microscopic structure and adsorption isotherms in good agreement with molecular simulations. It is able to capture the effects of salt concentration, chain length, and grafting density on swelling of polyelectrolyte brushes. In addition, it provides a quantitative description of the osmotic pressure and radial distribution of DNA in the bulk or in bacteriophages.
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