Detailed analysis of Rouse mode and dynamic scattering function of highly entangled polymer melts in equilibrium

Abstract

We present large-scale molecular dynamics simulations for a coarse-grained model of polymer melts in equilibrium. From detailed Rouse mode analysis we show that the time-dependent relaxation of the autocorrelation function (ACF) of modes p can be well described by the effective stretched exponential function due to the crossover from Rouse to reptation regime. The ACF is independent of chain sizes N for N/p