Effects of chain resolution on the configurational and rheological predictions from Brownian dynamics simulations of an isolated polymer chain in flow

A reasonably accurate representation of a polymer chain is provided by beads connected with rods, or stiff, inextensible springs that mimic single Kuhn step. Due to high computational cost, coarse-grained bead–spring models are used in typical applications, where each spring supposed replace several steps. Earlier investigations indicate the BD simulation predictions steady state different flows, these levels discretization, largely qualitatively similar. However, subtle quantitative differences exist even for states. In this study, we perform detailed analysis behavioral arising out varying degrees ranging from one hundred We compare transient and behavior both configuration rheological properties uniaxial extension shear flow. Our highlights differences, particularly stress viscosity values, obtained at intermediate flow rates, between Bead–rod models. Such thorough understanding helps provide an estimate best possible underlying given application. Additionally, also investigate limit break-down laws i.e. minimum number steps can faithfully.