6533b7d8fe1ef96bd1269775

RESEARCH PRODUCT

Anomalous diffusion in polymer melts

Wolfgang Paul

subject

chemistry.chemical_classificationQuantitative Biology::BiomoleculesAnomalous diffusionMonte Carlo methodCrossoverGeneral Physics and AstronomyThermodynamicsPolymerDisplacement (vector)Condensed Matter::Soft Condensed MatterReptationchemistryStatistical physicsCenter of massPhysical and Theoretical ChemistryLattice model (physics)

description

Abstract We present a study of the anomalous diffusion regimes in polymer melt dynamics performing a Monte Carlo (MC) simulation of the bond-fluctuation lattice model. Special emphasis is laid on the crossover from a Rouse-like motion to the behavior predicted by reptation theory. For the longest chains of N=400 the high statistical accuracy of the data allows for clear identification of the subdiffusive regimes in the center of mass motion and the monomer displacement. They are well compatible with those predicted by reptation theory. Furthermore a detailed analysis of the different short time anomalous diffusion regimes in the melt dynamics of polymer chains is presented and it is shown that they are universal but do not conform to the predictions of Rouse theory.

https://doi.org/10.1016/s0301-0104(02)00536-0