A molecular dynamics study of macromolecules in good solvents: Comparison with dielectric spectroscopy experiments

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Abstract
Self-avoiding-walk chains. This result does not agree with the experimental dependence of the normal mode relaxation time on the size of the polymers. The differences between the simulations and the experimental dynamic results in the dilute regime can be ascribed to the leading assumption of the model, the neglect of hydrodynamic interactions. For higher concentrations r.8r*, hydrodynamic and excluded volume effects are effectively screened, and the simulation results conform well with experiments. The dielectric spectrum broadens with increasing density, and for low densities the broadening can be explained in terms of chain overlapping. For densities higher than the entanglement density, entanglement effects broaden the spectrum considerably. A mapping of the model parameters to real polymer properties is also proposed. © 1998 American Institute of Physics. @S0021-9606~98!50836-7#

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