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Article Dans Une Revue Macromolecules Année : 2013

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

Résumé

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.
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Dates et versions

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

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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⟩
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