Screening of hydrodynamic interactions in Brownian rod suspensions.
We present the details and results of a simulation study addressing the dynamics and rheology of rod suspensions over a wide regime of concentrations ranging from dilute to concentrated systems. Our study compares the results of two complementary simulation methods. The first method adapts a recently proposed explicit solvent simulation strategy and incorporates both hydrodynamical effects and steric interactions between the rod units. We compare the results of such a method with those obtained from a Brownian dynamics simulation approach which retains the steric interactions but neglects the effects of hydrodynamic interactions. Overall, our results in the context of the translational and rotational diffusivities are in agreement with the hydrodynamical predictions in the dilute regime and the corresponding results of the tube model and its extensions thereof in the semidilute regimes. The latter results suggest that effects of hydrodynamic interactions on the translational and rotational diffusivities are secondary relative to the steric interactions and at best lead only to a small correction to the results of the classical tube model. Our results in the context of linear viscoelasticity also broadly confirms the predictions of the tube model for the storage and loss moduli and allows us to extract for the first time the independent hydrodynamic and Brownian contributions to the zero shear viscosity. While the relative magnitudes of these contributions are consistent with the theoretical predictions, the quantitative magnitudes are quite different from the theoretical predictions. Overall, these results confirm the validity of the hydrodynamic "screening" hypothesis and ratify the neglect of hydrodynamical stresses in quantifying the linear rheology of Brownian rod suspensions.
Pryamitsyn
Victor
V
Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712, USA.
Ganesan
Venkat
V
D001704:Biopolymers / Q000737:chemistry*; D003102:Colloids / Q000737:chemistry*; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D008968:Molecular Conformation; D014867:Water / Q000737:chemistry*
D001704:Biopolymers; D003102:Colloids; D014867:Water