Simulation on diffusivity and statistical size of polymer chains in polymer nanocomposites

The dynamical and conformational properties of polymer chains are affected significantly by strongly attractive nanoparticles. The adsorption of polymer chains on nanoparticles not only reduces the dynamics but also changes the conformation of polymer chains. For orderly distributed nanoparticles of...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2020-10, Vol.22 (38), p.21919-21927
Main Authors: Huang, Jian-Hua, Sun, Dan-Dan, Lu, Rong-Xing, Zhang, Huan, Khan, Raja Azhar Ashraaf
Format: Article
Language:English
Subjects:
Adsorption
Chains (polymeric)
Diffusion rate
Diffusivity
Exchanging
Molecular conformation
Nanocomposites
Nanoparticles
Polymers
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Summary:The dynamical and conformational properties of polymer chains are affected significantly by strongly attractive nanoparticles. The adsorption of polymer chains on nanoparticles not only reduces the dynamics but also changes the conformation of polymer chains. For orderly distributed nanoparticles of size roughly the same as the radius of gyration of polymer chains, the variation of the diffusivity is highly related to that of the statistical size and can be explained mainly from the adsorption of polymers. In particular, both the polymer's size and diffusivity reach the minimum when the number of polymer chains matches the number of nanoparticles where polymer chains are mostly adsorbed on separate nanoparticles. The behavior of diffusivity can be explained from the cooperation of polymer adsorption and nanoparticle-exchange motion. Adsorption of the polymer chain slows down the diffusion, whereas the nanoparticle-exchange motion accelerates the diffusion of polymer chains. The behavior of polymer diffusivity can be explained by the cooperation of polymer adsorption and nanoparticle-exchange motion.
ISSN:1463-9076
1463-9084
DOI:10.1039/d0cp04390g