Chain dynamics of unentangled poly(ethylene-alt-propylene) melts by means of neutron scattering and fully atomistic molecular dynamics simulations

摘要: We have studied the chain dynamics of poly-(ethylene-alt-propylene) by combining neutron spin echo experiments and fully atomistic molecular simulations. focused on weights order two times entanglement mass, for which, in principle, topological constraints are not important should be well described terms Rouse model. From comparison between experimental simulated results we validated our simulation cell. checked predictions model both sets data compared resulting relevant parameters with those obtained from other works literature. Moreover, taking advantage system calculated directly modes correlators to investigate limitations extending study at lower temperatures. found deviations behavior short length scales that can attributed local potentials a sublinear increase mean squared displacement center mass time, probably originating intermolecular interactions.