Macromolecules · 1999 · 87 citations · 33 references
Natural SciencesBiophysicsPhysicsPhysical ChemistryRheologyThermodynamicsMolecular DynamicsTransport PropertiesDendrimersDiffusion Coefficient CalculationExcluded Volume EffectsExcluded Volume InteractionsHydrodynamic Interaction EffectsIntrinsic ViscosityRelaxation TimesViscosity
We report the calculation of autocorrelation relaxation times, intrinsic viscosity, and the diffusion coefficient of a starburst dendrimer model, using both the preaveraging and variational-bound techniques. The model includes hydrodynamic effects, represented by the Rotne−Prager interaction, as well as excluded-volume repulsion, represented by a hard-core potential. Analytical derivations of the main formulae used in the paper are all explicitly given, and Monte Carlo simulations are used to carry out the thermodynamic average.
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The Theory of Polymer Dynamics
G. Marrucci · Journal of Non-Newtonian Fluid Mechanics · 1987 · 9.8K citations
Brownian dynamics with hydrodynamic interactions
D.L. Ermak, J. Andrew McCammon · The Journal of Chemical Physics · 1978 · 2.5K citations