Hydrodynamic Shear Effects on Grafted and Non-Grafted Collapsed Polymers

摘要

We study collapsed homo-polymeric molecules under linear shear flow conditions using hydrodynamic Brownian dynamics simulations. Tensile force profiles and the shear-rate-dependent globular-coil transition for grafted and non-grafted chains are investigated to shine light on the different unfolding mechanisms. The scaling of the critical shear rate, at which the globular-coil transition takes place, with the monomer number is inverse for the grafted and non-grafted scenarios. This implicates that for the grafted scenario, larger chains have a decreased critical shear rate, while for the non-grafted scenario higher shear rates are needed in order to unfold larger chains. Protrusions govern the unfolding transition of non-grafted polymers, while for grafted polymers, the maximal tension appears at the grafted end.