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

6533b824fe1ef96bd1281311

RESEARCH PRODUCT

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

Silke Rathgeber Wolfgang Paul Lutz Willner A. Zirkel Do Y. Yoon Dieter Richter Bela Farago Grant D. Smith

subject

Materials science Condensed matter physics Dynamic structure factor Momentum transfer Dynamics (mechanics)Relaxation (NMR)General Physics and Astronomy Polyethylene Molecular physics Neutron spin echo Condensed Matter::Soft Condensed Matter chemistry.chemical_compound Molecular dynamics chemistry Spectroscopy

description

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.

year	journal	country	edition	language
1998-03-16	Physical Review Letters

https://doi.org/10.1103/physrevlett.80.2346

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