SIMULATION OF DEFORMATION AND FRACTURE OF POLYMER-CHAINS IN FLOWING SOLUTIONS

Simulation studies are reviewed that employ the Brownian dynamics technique to characterize conformational and dynamic aspects of polymers in solutions that are subjected to different types of flow. Thus, the polymer deformation is considered in a shear flow, comparing the simulation results with other experimental and theoretical findings. The stretching of the chains in steady elongational flow and their eventual fracture is simulated and the critical rates required for such phenomena are evaluated. Finally, simulations for polymer fracture in transient elongational flows produced by the passage of the solution through a small orifice are reviewed. The degradation yield and the size distribution of the fragments are simulated and compared with experiments.