A molecular dynamics calculation to confirm the incorrectness of the random-walk distribution for describing the Kramers freely jointed bead-rod chain Academic Article uri icon


  • In macromolecular kinetic theory polymers are represented by simplified mechanical structures. A commonly used structure1-S is a freely jointed chain of N" beads" joined by N-1 rigid" rods." The beads interact with the solvent according to Stokes' law, and at equilibrium their motion is accounted for by Brownianmotion forces. We will refer to the solution of Kramers freely jointed bead-rod chains as model (a). In this Communication," model" refers to the macromolecular solUtion, whereas" structure" and" chain" refer to the macromolecule 0

publication date

  • January 1, 1976