Quasielastic neutron scattering study of dynamics at the crossover from dilute to semidilute behavior in polymer solutions

Chain Motion in an Unentangled Polyethylene Melt: A Critical Test of the Rouse Model by Molecular Dynamics Simulations and Neutron Spin Echo Spectroscopy

We have investigated the dynamic structure factor for single-chain relaxation in a polyethylene melt by means of molecular dynamics simulations and neutron spin echo spectroscopy. After accounting for a 20% difference in the chain self-diffusion coefficient between simulation and experiment we find a perfect quantitative agreement of the intermediate dynamic structure factor over the whole range of momentum transfer studied. Based on this quantitative agreement one can test the experimental results for deviations from standard Rouse behavior reported so far for only computer simulations of polymer melt dynamics.

Dynamics at the Temperature Crossover in Dilute Polymer Solutions Investigated by Neutron Spin-Echo Spectroscopy

Applying ultrahigh-resolution neutron spin-echo spectroscopy the existence of a $q$-dependent temperature crossover in the dynamics of dilute polymer solutions was proved. It is associated with the transition from $\ensuremath{\theta}$ to good solvent conditions. At small momentum transfers $q$ a nearly stepwise increase of the reduced quasielastic linewidth versus the reduced temperature was observed. With increasing $q$, both the sharpness of the transition and the step height decrease.

A comparison of neutron scattering studies and computer simulations of polymer melts

Abstract Neutron scattering and computer simulations are powerful tools for studying structural and dynamical properties of condensed matter systems in general and of polymer melts in particular. When neutron scattering studies and quantitative atomistic molecular dynamics simulations of the same material are combined, synergy between the methods can result in exciting new insights into polymer melts not obtainable from either method separately. We present here an overview of our recent efforts to combine neutron scattering and atomistic simulations in the study of melt dynamics of polyethylene and polybutadiene. Looking at polymer segmental motion on a picosecond time scale, we show how at…

Dynamical Scaling in Polymer Solutions Investigated by the Neutron Spin-Echo Technique

Chain dynamics in polymer solutions was investigated by means of the recently developed neutron spin echo spectroscopy. — By this technique, it was possible for the first time to verify unambiguously the scaling predictions of the Zimm model in the case of single chain behaviour and to observe the cross over to many chain behaviour. The segmental diffusion of single chains exhibits deviations from a simple exponential law, indicating the importance of memory effects. Mit Hilfe der erst kurzlich entwickelten Neutronen-Spin-Echo-Spektroskopie wurde die Kettendynamik von Polymermolekulen im gelosten Zustand untersucht. - Die Methode eroffnete die Moglichkeit, zum ersten Mal fur das Einzelkette…