Effect of Chain Length Dispersity on the Mobility of Entangled Polymers

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

doi:10.1103/PhysRevLett.121.057802

Effect of Chain Length Dispersity on the Mobility of Entangled Polymers

Journal Article · Thu Aug 02 00:00:00 EDT 2018 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.121.057802· OSTI ID:1478065

Peters, Brandon L. ^[1]; Salerno, K. Michael ^[2]; Ge, Ting ^[3]; Perahia, Dvora ^[4]; Grest, Gary S. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Naval Research Lab. (NRL), Washington, DC (United States)
Duke Univ., Durham, NC (United States)
Clemson Univ., SC (United States)

While nearly all theoretical and computational studies of entangled polymer melts have focused on uniform samples, polymer synthesis routes always result in some dispersity, albeit narrow, of distribution of molecular weights ( Ð_M = M_w / M_n ~ 1.02 – 1.04 ). Here, the effects of dispersity on chain mobility are studied for entangled, disperse melts using a coarse-grained model for polyethylene. Polymer melts with chain lengths set to follow a Schulz-Zimm distribution for the same average M_w = 36 kg / mol with Ð_M = 1.0 to 1.16, were studied for times of 600 – 800 μ s using molecular dynamics simulations. This time frame is longer than the time required to reach the diffusive regime. We find that dispersity in this range does not affect the entanglement time or tube diameter. However, while there is negligible difference in the average mobility of chains for the uniform distribution Ð_M = 1.0 and Ð_M = 1.02 , the shortest chains move significantly faster than the longest ones offering a constraint release pathway for the melts for larger Ð_M.

View Accepted Manuscript (DOE)

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

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

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1478065

Alternate ID(s):: OSTI ID: 1462584

Report Number(s):: SAND--2018-7798J; 665881

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 5 Vol. 121; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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