Abstract
A Brownian dynamics simulation was carried out for a spherical nanoparticle with polymerchains tethered to its surface. These simulations are relevant to understanding thetransport properties of polymer-stabilized nanoparticles in environmental and otherapplications. Hydrodynamic interactions (HI) were taken into account to properly describethe diffusion properties of a stabilized particle. HI are important in this contextbecause of the close proximity of the surface-tethered polymer chains. HI wereimplemented using a method introduced by Fixman (1986 Macromolecules 19 1204),which uses a Chebyshev polynomial expansion to calculate the square root of thediffusion tensor. Simulation predictions were compared to published experimentaldata for the hydrodynamic radius of a silica particle stabilized by polystyrenetethered chains, and good agreement was achieved. A relationship that allowspolymer-stabilized particles with arbitrary polymer-chain densities to be modelled isdeveloped.
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