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

2021/01/14 by Behrouz Behdani, Tong Mou, Behdani, Behrouz +9
Chemical Engineering · Engineering · Medicine · #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)

paper · pdf · doi:10.48550/arxiv.2101.05472

openalex publication_date 2021/01/14 · 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\nentangled polymeric liquid under different shear and extension rates. Polymer\nchains under various shear rates and extension rates were simulated using a\nstochastic-tube model [J. Rheol. 56: 1057 (2012)]. We developed a Matlab code\nto visualize and analyze the simulated configurations from the stochastic-tube\nmodel. We introduced new variables to determine how the extent of linearity\nchanges with time for different shear rates, which is more useful than a\ntypical end-to-end distance analysis. We identified whether the polymer chains\nundergo a tumbling rotation (slight elongation not accompanying contraction) or\nflipping rotation (elongation accompanying contraction). The simulation results\nindicate that the polymer chains exhibit a significant tendency to elongate at\nhigher shear rates and occasionally experience flipping, while lower shear\nrates tend to exhibit very frequent tumbling. Furthermore, no rotations were\nobserved under extensional flows. These results help clarifying uncertainty of\npreviously proposed polymer deformation mechanisms of the convective constraint\nrelease and the configuration-dependent friction coefficient.\n

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