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Viscoelastic properties of semiflexible macromolecules in solution : Brownian dynamics simulation of a trumbbell model

The viscoelastic behavior of semiflexible macromolecules is studied using a trumbbell model with variable flexibility at the central hinge. The frequency-dependent solution vicosity for that model is calculated from Brownian dynamics simulations. The Green-Kubo formula is used to calculate the viscosity from flow-free Brownian trajectories. First, we obtain overall macromolecular properties such as the zero shear intrinsic viscosity, longest relation times for viscoelasticity and for reorientation of the end-to-end vector, and others. We also calculate curves for the frequency dependence of the dynamic moduli. The results are compared with the existing theories of Roitman and Zimm and of Nagasata and Yamakawa