CLC number: O631.2
On-line Access: 2020-03-17
Received: 2019-11-24
Revision Accepted: 2020-02-23
Crosschecked: 2020-03-01
Cited: 0
Clicked: 3129
Dan Wang, Feng-qing Li, Xiang-hong Wang, Shi-ben Li, Lin-li He. Effects of chain stiffness and shear flow on nanoparticle dispersion and distribution in ring polymer melts[J]. Journal of Zhejiang University Science A, 2020, 21(3): 229-239.
@article{title="Effects of chain stiffness and shear flow on nanoparticle dispersion and distribution in ring polymer melts",
author="Dan Wang, Feng-qing Li, Xiang-hong Wang, Shi-ben Li, Lin-li He",
journal="Journal of Zhejiang University Science A",
volume="21",
number="3",
pages="229-239",
year="2020",
publisher="Zhejiang University Press & Springer",
doi="10.1631/jzus.A1900530"
}
%0 Journal Article
%T Effects of chain stiffness and shear flow on nanoparticle dispersion and distribution in ring polymer melts
%A Dan Wang
%A Feng-qing Li
%A Xiang-hong Wang
%A Shi-ben Li
%A Lin-li He
%J Journal of Zhejiang University SCIENCE A
%V 21
%N 3
%P 229-239
%@ 1673-565X
%D 2020
%I Zhejiang University Press & Springer
%DOI 10.1631/jzus.A1900530
TY - JOUR
T1 - Effects of chain stiffness and shear flow on nanoparticle dispersion and distribution in ring polymer melts
A1 - Dan Wang
A1 - Feng-qing Li
A1 - Xiang-hong Wang
A1 - Shi-ben Li
A1 - Lin-li He
J0 - Journal of Zhejiang University Science A
VL - 21
IS - 3
SP - 229
EP - 239
%@ 1673-565X
Y1 - 2020
PB - Zhejiang University Press & Springer
ER -
DOI - 10.1631/jzus.A1900530
Abstract: The dispersion behavior and spatial distribution of nanoparticles (NPs) in ring polymer melts are explored by using molecular dynamics (MD) simulations. As polymer-NP interactions increase, three general categories of polymer-mediated NP organization are observed, namely, contact aggregation, bridging, and steric dispersion, consistent with the results of equivalent linear ones in previous studies. In the case of direct contact aggregation among NPs, the explicit aggregation-dispersion transition of NPs in ring polymer melts can be induced by increasing the chain stiffness or applying a steady shear flow. Results further indicate that NPs can achieve an optimal dispersed state with the appropriate chain stiffness and shear flow. Moreover, shear flow cannot only improve the dispersion of NPs in ring polymer melts but also control the spatial distribution of NPs into a well-ordered structure. This improvement becomes more evident under stronger polymer-NP interactions. The observed induced-dispersion or ordered distribution of NPs may provide efficient access to the design and manufacture of high-performance polymer nanocomposites (PNCs).
The manuscript reports the molecular dynamics simulations of the dispersion behavior and spatial distribution of NPs in ring polymer melts. The results show NPs can achieve an optimal dispersed state with appropriate chain stiffness and shear flow. Shear flow can not only improve the dispersion of NPs in ring polymer melts but also control the spatial distribution of NPS into a well-ordered structrure. This work and is well done and significant to the design and manufacture of high-performance polymer nanocomposites.
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