Layer-by-layer assembly of polyelectrolyte chains and nanoparticles on nanoporous substrates: molecular dynamics simulations |
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Authors: | Carrillo Jan-Michael Y Dobrynin Andrey V |
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Institution: | Polymer Program, Institute of Materials Science and Department of Physics, University of Connecticut, Storrs, Connecticut 06269, USA. |
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Abstract: | We performed molecular dynamics simulations of a multilayered assembly of oppositely charged polyelectrolyte chains and nanoparticles on porous substrates with cylindrical pores. The film was constructed by the sequential adsorption of oppositely charged species in a layer-by-layer fashion from dilute solutions. The multilayer assembly proceeds through surface overcharging after the completion of each deposition step. The substrate overcharging fraction fluctuates around 0.5 for nanoparticle-polyelectrolyte systems and around 0.4 for polyelectrolyte-polyelectrolyte systems. The surface coverage increases linearly with the number of deposition steps. The rate of surface coverage increases as a function of the number of deposition step changes when the pore is blocked. The closing of the pore occurs from the pore entrance for nanoparticle-polyelectrolyte systems. In the case of polyelectrolyte-polyelectrolyte systems, the pore plug is formed inside the pore and then spreads toward the pore ends. |
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