高等学校化学学报 ›› 2020, Vol. 41 ›› Issue (5): 924.doi: 10.7503/cjcu20190640
• 庆祝《高等学校化学学报》复刊40周年专栏 • 上一篇 下一篇
收稿日期:
2019-12-09
出版日期:
2020-05-10
发布日期:
2020-02-10
通讯作者:
孙昭艳
E-mail:zysun@ciac.ac.cn
基金资助:
DAI Lijun1,2,SUN Zhaoyan1,2,*()
Received:
2019-12-09
Online:
2020-05-10
Published:
2020-02-10
Contact:
Zhaoyan SUN
E-mail:zysun@ciac.ac.cn
Supported by:
摘要:
从计算模拟及实验角度系统总结了聚合物结构、 聚合物构象、 聚合物扩散及聚合物多尺度动力学的研究进展, 阐述了各影响因素及其变化规律, 并对聚合物动力学的未来研究进行了展望.
中图分类号:
TrendMD:
戴利均, 孙昭艳. 聚合物纳米复合体系中聚合物结构及动力学研究进展. 高等学校化学学报, 2020, 41(5): 924.
DAI Lijun, SUN Zhaoyan. Perspective on the Structure and Dynamics of Polymer Chains in Polymer Nanocomposites . Chem. J. Chinese Universities, 2020, 41(5): 924.
Fig.1 Schematic representation of adsorbed chains on the surface of nanoparticle(A) and density distribution for PE500-Slab as a function of distance from the surface and decomposition following Scheutjens-Fleer(B)[53] (B) Copyright 1980, American Chemical physics. Inset of (B) provides profiles for selected systems[66]. Copyright 2012, American Institute of Physics.
Fig.2 l int vs. C ∞ at temperatures close to T g (T=1.05 T g ) from different techniques(A) and at T = 1.2 T g in PNCs(B) Blue squares present literature data. The error bars for the blue squares include the measurements from different groups and different methods. The dashed-black line presents recent MD simulations assuming the bead size σ = 0.4 nm[80]. Copyright 2017, American Chemical Society.
Fig.3 Normalized tracer diffusion coefficients plotted against the confinement parameter for PNCs with different hard NP’s sizes(A)[104] and different effective NP’s sizes(B)[105] (A) Copyright 2012, Royal Society of Chemistry; (B) Copyright 2013, American Chemical Society.
Fig.4 Reduced diffusion coefficient of the centers of mass(CM) of the chains as a function of the dynamic confinement parameter h/λd for different values of the NP diameter σN[117] Continuous line: Dp=Dp0[1-exp (-h/λd)]. Inset: Dp/Dp0 as a function of h/(2Rg). Continuous and dash-dotted lines: Dp=Dp0{1-exp[-ah/(2Rg)]}, with a respectively equal to 5.44 and to 3.22. Copyright 2018, American Chemical Society.
Fig.6 Normalized effective relaxation times of p-th mode for chains in nanocomposites for different NP sizes at ?NP=0.1[127] (A) N= 40; (B) N=100; (C) N=400. (D) Effect of NP loading for N=400, σNP=10σ(Closed triangles correspond to σNP=10σ in N=500 at similar NP loading from ref.[130], Copyright 2012, American Physical Society). (E) Corresponding plot for the stretching exponent β p . (A—E) Copyright 2015, Royal Society of Chemistry.
Fig.7 Schematic of one sticky nanoparticle in a polymer melt for R>Rg(A), R?Rg(B) and the “vehicle” mechanism(C)[138] Copyright 2018, American Chemical Society.
Fig.8 Schematics of the different regimes for interfacial effects of the NP (A) The dilute regime. (B) The “bridging regime,” where the separation of the NPs allows the interfacial chains to bridge. (C) The interfacially dominated regime. The value of r / R g for d = 3.3 σ , d = 6.6 σ , and d = 10.0 σ is r / R g = 3.3 / 2.16 = 1.52 , r / R g = 6.6 / 2.16 = 3.05 , and r / R g = 10.0 / 2.16 = 4.63 , respectively. (D) The normalized change of T g as a function of r / R g . These data are gathered from Refs.[70,94,122,137,149,150]. To estimate the mean face-to-face separation r between NPs, we use the expression r / d = ( ? max / ? ) 1 / 3 - 1 [151], where ? max is the maximum filling fraction( ? max ≈ 0.7 ), d is the NP diameter, and ? is the NP filling fraction[148]. Copyright 2018, American Physical Society.
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