Dynamical Simulations of Coarse Grain Polymeric Systems: Rouse and Entangled Dynamics - Archive ouverte HAL Access content directly
Journal Articles Macromolecules Year : 2013

Dynamical Simulations of Coarse Grain Polymeric Systems: Rouse and Entangled Dynamics

Abstract

A particle-based, theoretically informed coarse-grained model for multicomponent polymeric systems is proposed to explore the dynamics of entangled polymeric melts. Entanglements are treated at the two-molecule level, through slip-springs that couple the dynamics of neighboring pairs of chains. Their inclusion in the model changes its behavior from Rouse to entangled, with scaling laws for the mean-square displacement and shear viscosity consistent with those observed in tube theories and in experiments.
No file

Dates and versions

hal-03048646 , version 1 (09-12-2020)

Identifiers

Cite

Abelardo Ramírez-Hernández, François Detcheverry, Brandon Peters, Verónica Chappa, Kenneth Schweizer, et al.. Dynamical Simulations of Coarse Grain Polymeric Systems: Rouse and Entangled Dynamics. Macromolecules, 2013, 46 (15), pp.6287-6299. ⟨10.1021/ma400526v⟩. ⟨hal-03048646⟩
21 View
0 Download

Altmetric

Share

Gmail Facebook X LinkedIn More