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

Title: 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 04:00:00 UTC 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.

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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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Rheology of Ring Polymer Melts: From Linear Contaminants to Ring-Linear Blends Halverson, Jonathan D.; Grest, Gary S.; Grosberg, Alexander Y. Physical Review Letters, Vol. 108, Issue 3 https://doi.org/10.1103/PhysRevLett.108.038301	journal	January 2012
Entanglement-Controlled Subdiffusion of Nanoparticles within Concentrated Polymer Solutions Guo, Hongyu; Bourret, Gilles; Lennox, R. Bruce Physical Review Letters, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRevLett.109.055901	journal	August 2012
Universal Viscosity Behavior of Polymer Nanocomposites Kalathi, Jagannathan T.; Grest, Gary S.; Kumar, Sanat K. Physical Review Letters, Vol. 109, Issue 19 https://doi.org/10.1103/PhysRevLett.109.198301	journal	November 2012
Nanoparticle Diffusion in Polymer Nanocomposites Kalathi, Jagannathan T.; Yamamoto, Umi; Schweizer, Kenneth S. Physical Review Letters, Vol. 112, Issue 10 https://doi.org/10.1103/PhysRevLett.112.108301	journal	March 2014
Ring Polymers in the Melt State: The Physics of Crumpling Rosa, Angelo; Everaers, Ralf Physical Review Letters, Vol. 112, Issue 11 https://doi.org/10.1103/PhysRevLett.112.118302	journal	March 2014
Molecular Scale Dynamics of Large Ring Polymers Gooßen, S.; Brás, A. R.; Krutyeva, M. Physical Review Letters, Vol. 113, Issue 16 https://doi.org/10.1103/PhysRevLett.113.168302	journal	October 2014
New View of Entanglements in Dense Polymer Systems Kavassalis, Tom A.; Noolandi, Jaan Physical Review Letters, Vol. 59, Issue 23 https://doi.org/10.1103/PhysRevLett.59.2674	journal	December 1987
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