期刊
MACROMOLECULES
卷 50, 期 4, 页码 1749-1754出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.macromol.6b02632
关键词
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资金
- National Science Foundation [DMR-1309892, DMR-1436201, DMR-1121107]
- National Institutes of Health [P01-HL108808, 1UH2HL123645]
- Cystic Fibrosis Foundation
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
- Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1309892] Funding Source: National Science Foundation
The motion of nanoparticles (NPs) in entangled melts of linear polymers and nonconcatenated 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 nonconcatenated 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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