Chain conformation of polymer melts with associating groups

Carrillo, Jan-Michael Y.; Chen, Wei-Ren; Wang, Zhe; Sumpter, Bobby G.; Wang, Yangyang

doi:10.1088/2399-6528/ab09bb

Title: Chain conformation of polymer melts with associating groups

Journal Article · Fri Mar 01 00:00:00 EST 2019 · Journal of Physics Communications

DOI:https://doi.org/10.1088/2399-6528/ab09bb· OSTI ID:1498183

; Chen, Wei-Ren; Wang, Zhe; Sumpter, Bobby G.;

Molecular association has profound influences on the viscoelastic properties of polymers with associating side groups. The conventional wisdom is that interchain association dominates in the melt state, and the dynamics of the associative polymer network therefore might be understood by extending the classical molecular approaches such as the Rouse and reptation models for linear chains. Using small-angle neutron scattering and molecular dynamics simulation, here we show that while interchain association is important, intrachain association can not be neglected in determining the static structures of associating polymers in the melt state. Analyses of the radius of gyration, static structure factor, and intrachain mean-square distance of polymers with associating side groups have revealed a substantial deviation from the random walk structure at even moderate association strength and degree of functionality. This finding emphasizes the important role of intrachain loops in associative polymer networks.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1498183

Alternate ID(s):: OSTI ID: 1502550

Journal Information:: Journal of Physics Communications, Journal Name: Journal of Physics Communications Vol. 3 Journal Issue: 3; ISSN 2399-6528

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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