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Pre‐Averaged Sampling On the Entanglement Kinetics for Polymer Dynamics
Author(s) -
Horio Kazushi,
Masubuchi Yuichi
Publication year - 2006
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.200651021
Subject(s) - quantum entanglement , statistical physics , chain (unit) , viscoelasticity , polymer , relaxation (psychology) , dimension (graph theory) , diffusion , sampling (signal processing) , dynamics (music) , physics , thermodynamics , mathematics , quantum mechanics , quantum , optics , combinatorics , nuclear magnetic resonance , psychology , social psychology , detector , acoustics
A new model for entangled polymer dynamics based on pre‐averaged sampling of the entanglement structure is proposed. Although it has been reported that sliplink simulations are powerful and promising to predict entangled polymer dynamics, it is still unpractical to calculate polymers with many entanglements. In the present study, a possible approach to achieve fast calculation is proposed by pre‐averaged sampling of entanglement structure with skipping detail kinetics of entanglements dominated by chain ends in conventional sliplink models. To achieve time development of the chain conformation and entanglement structure, i) number of entanglement per chain and number of monomers for each segment are randomly obtained from the equilibrium distribution proposed by Schieber [ J. Chem. Phys. 2003 , 118 , 5162] and ii) the renewed entanglement structure is mechanically equilibrated. The established power‐laws on molecular weight dependence of chain dimension, the longest relaxation time and self‐diffusion coefficient were reasonably reproduced. Comparison on linear viscoelastic response is also discussed.