6533b835fe1ef96bd12a00ed
RESEARCH PRODUCT
Microscopic verification of dynamic scaling in dilute polymer solutions: A molecular-dynamics simulation
Burkhard DünwegKurt Kremersubject
chemistry.chemical_classificationQuantitative Biology::BiomoleculesMaterials scienceComputer simulationDynamics (mechanics)General Physics and AstronomyThermodynamicsPolymerFick's laws of diffusionCondensed Matter::Soft Condensed Matterchemistry.chemical_compoundMolecular dynamicsMonomerchemistryChain (algebraic topology)Statistical physicsDiffusion (business)description
The dynamics of a single polymer chain immersed in a large number of solvent particles is studied by molecular dynamics. This is the first simulation where chain length (30, 40, and 60 monomers) and statistical accuracy are sufficient to test the predictions of the Zimm model as a result of the particle-particle interactions: The short-time diffusion constant is in good agreement with the Kirkwood prediction, and the monomer motions exhibit the expected dynamic scaling. The long-range hydrodynamic interaction requires a data analysis that explicitly includes the periodic images via Ewald sums.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1991-06-10 | Physical Review Letters |