A coarse-grained explicit solvent simulation of rheology of colloidal suspensions.
We use a simple extension of the dissipative particle dynamics (DPD) model to address the dynamical properties of macrosolutes immersed in complex fluid solvents. In this approach, the solvent particles are still represented as DPD particles, thereby retaining the time and length scale advantages offered by the DPD approach. In contrast, the solute particles are represented as hard particles of the appropriate size. We examine the applicability of this simulation approach to reproduce the correct hydrodynamical characteristics of the mixture. Our results focus on the equilibrium dynamics and the steady-state shear rheological behaviors for a range of volume fractions of the suspension, and demonstrate excellent agreement with many published experimental and theoretical results. Moreover, we are also able to track the glass transition of our suspension and the associated dynamical signatures in both the diffusivities and the rheological properties of our suspension. Our results suggest that the simulation approach can be used as a one-parameter model to examine quantitatively the rheological properties of colloidal suspensions in complex fluid solvents such as polymeric melts and solutions, as well as allied dynamical phenomena such as phase ordering in mixtures of block copolymers and particles.
Pryamitsyn
Victor
V
Department of Chemical Engineering, University of Texas at Austin, Austin, TX 78712, USA. victor@che.utexas.edu
Ganesan
Venkat
V