Viscoelastic Response of Dispersed Entangled Polymer Melts

Peters, Brandon L.; Salerno, K. Michael; Ge, Ting; Perahia, Dvora; Grest, Gary S.

doi:10.1021/acs.macromol.0c01403

Viscoelastic Response of Dispersed Entangled Polymer Melts

Journal Article · Thu Oct 01 00:00:00 EDT 2020 · Macromolecules

DOI:https://doi.org/10.1021/acs.macromol.0c01403· OSTI ID:1671805

Peters, Brandon L. ^[1]; Salerno, K. Michael ^[2]; ^[3]; ^[4]; ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
U. S. Army Research Lab., Aberdeen, MD (United States)
Univ. of South Carolina, Columbia, SC (United States)
Clemson Univ., SC (United States)

Any polymer synthesis routes result in molecular weight dispersity DAI, depending on the polymerization mechanism. The lowest dispersity polymers are those made by anionic and atom-transfer radical polymerization, which exhibit relatively narrow distributions DM=g,„1A172 — 1.02-1.04. This small divergence from monodispersity results in significant number of molecules that differ in their molecular weight from the average and their impact on the viscoelastic response remains an open question. Here the effects of low dispersity on stress relaxation and shear viscosity of entangled melts are studied using a coarse-grained model for polyethylene. Polymer melts with chain length dispersity set to follow a Schulz-Zimm distribution of Dm = 1.0 — 1.16 for an entangled polyethylene melt using molecular dynamic simulations. The systems were studied to times up to 800 ,us which is beyond the terminal time. These systems are compared to those with binary and ternary distributions. The stress relaxation functions were extracted from the Green-Kubo relation and from stress-strain relaxation following a uniaxial extension. We find on the entanglement time scale, both the mean squared displacement and the stress relaxation are independent of D_m. The tube diameter and the rubbery plateau for entangled dynamics do not depend on D_m. At longer times, the terminal relaxation time decreases as the faster motion of the shorter chains results in constraint release for the longer chains. Probing this low dispersity regime opens the way to evaluate the degree of dispersity that affects mechanical properties.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1671805

Report Number(s):: SAND2020--8593J; 690045

Journal Information:: Macromolecules, Journal Name: Macromolecules Journal Issue: 19 Vol. 53; ISSN 0024-9297

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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