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Individual Polymer Chain Dynamics in an Entangled Polymeric Liquid Using a Stochastic Tube Model

2021/01/14 by Behrouz Behdani, Tong Mou, Behdani, Behrouz +9
Chemical Engineering · Engineering · Medicine · Physics and Astronomy · #Blood properties and coagulation #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Fluid Dynamics (physics.flu-dyn) #Fluid Dynamics and Turbulent Flows #Materials Science (cond-mat.mtrl-sci) #Rheology and Fluid Dynamics Studies #Soft Condensed Matter (cond-mat.soft) #cond-mat.mtrl-sci #cond-mat.soft #physics.chem-ph #physics.flu-dyn

paper · pdf · doi:10.48550/arxiv.2101.05472

18 pages, 15 figures

arxiv created 2021/01/14 · openalex publication_date 2021/01/14 · arxiv updated 2021/01/15 · openalex created_date 2022/07/25 · openalex updated_date 2026/07/28

Abstract

This study focuses on comparing the individual polymer chain dynamics in an entangled polymeric liquid under different shear and extension rates. Polymer chains under various shear rates and extension rates were simulated using a stochastic-tube model [J. Rheol. 56: 1057 (2012)]. We developed a Matlab code to visualize and analyze the simulated configurations from the stochastic-tube model. We introduced new variables to determine how the extent of linearity changes with time for different shear rates, which is more useful than a typical end-to-end distance analysis. We identified whether the polymer chains undergo a tumbling rotation (slight elongation not accompanying contraction) or flipping rotation (elongation accompanying contraction). The simulation results indicate that the polymer chains exhibit a significant tendency to elongate at higher shear rates and occasionally experience flipping, while lower shear rates tend to exhibit very frequent tumbling. Furthermore, no rotations were observed under extensional flows. These results help clarifying uncertainty of previously proposed polymer deformation mechanisms of the convective constraint release and the configuration-dependent friction coefficient.

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