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Validation and refinement of unified analytic model for flexible, semiflexible and stiff polymer melt entanglement

ORAL

Abstract

Two of us recently proposed [R. S. Hoy and M. Kröger, Phys. Rev. Lett. 124, 147801 (2020)] analytic expressions for the reduced entanglement length Le/lK, tube diameter a/lK, and plateau modulus GlK3/kBT of polymer melts that unified previously-incompatible scaling theories for flexible, semiflexible and stiff polymers. In this talk, we stress-test these expressions by checking whether they remain valid when a different topological analysis (TA) method and different Ne-estimators are employed, and by comparing them to the available experimental data on flexible, semiflexible and stiff polymer melts. We find that when we correct for all known sources of systematic error in Ne-estimation (e.g. chain-end effects and the non-Gaussian statistics of primitive paths) and reduce our statistical uncertainties by sampling large numbers of model well-entangled melts, we obtain simplified versions of our original expressions that (i) quantitatively match bead-spring simulation data over the entire range of chain stiffnesses for which melts remain isotropic, and (ii) semiquantitatively match all available experimental data.

Presenters

  • Joseph Fox D Dietz

    Univ of South Florida

Authors

  • Robert S Hoy

    University of South Florida

  • Joseph Fox D Dietz

    Univ of South Florida

  • Martin Kröger

    ETH Zurich, ETH Zürich