Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].

Ge, Ting; Kalathi, Jagannathan T.; Halverson, Jonathan D.; Grest, Gary S.; Rubinstein, Michael

doi:10.1021/acs.macromol.6b02632

Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].

Journal Article · Mon Feb 13 00:00:00 EST 2017 · Macromolecules

DOI:https://doi.org/10.1021/acs.macromol.6b02632· OSTI ID:1356222

^[1]; Kalathi, Jagannathan T. ^[2]; Halverson, Jonathan D. ^[3]; Grest, Gary S. ^[4]; Rubinstein, Michael ^[1]

Univ. of North Carolina, Chapel Hill, NC (United States)
National Inst. of Technology Karnataka (India)
Max Planck Inst. for Polymer Research, Ackermannweg (Germany)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

The motion of nanoparticles (NPs) in entangled melts of linear polymers and non-concatenated ring polymers are compared by large-scale molecular dynamics simulations. The comparison provides a paradigm for the effects of polymer architecture on the dynamical coupling between NPs and polymers in nanocomposites. Strongly suppressed motion of NPs with diameter d larger than the entanglement spacing a is observed in a melt of linear polymers before the onset of Fickian NP diffusion. This strong suppression of NP motion occurs progressively as d exceeds a, and is related to the hopping diffusion of NPs in the entanglement network. In contrast to the NP motion in linear polymers, the motion of NPs with d > a in ring polymers is not as strongly suppressed prior to Fickian diffusion. The diffusion coefficient D decreases with increasing d much slower in entangled rings than in entangled linear chains. NP motion in entangled non-concatenated ring polymers is understood through a scaling analysis of the coupling between NP motion and the self-similar entangled dynamics of ring polymers.

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:: 1356222

Report Number(s):: SAND--2016-9157J; 647441

Journal Information:: Macromolecules, Journal Name: Macromolecules Journal Issue: 4 Vol. 50; ISSN 0024-9297

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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