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综述:模拟聚合物的均方位移

Review: Mean-Square Displacements of Simulated Polymers.

作者信息

Phillies George D J

机构信息

Department of Physics, Worcester Polytechnic Institute, Worcester, MA 01690, USA.

出版信息

Polymers (Basel). 2025 Apr 27;17(9):1193. doi: 10.3390/polym17091193.

DOI:10.3390/polym17091193
PMID:40362977
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12073395/
Abstract

We review simulations of polymeric fluids that report mean-square displacements g(t) of polymer beads, segments, and chains. By means of careful numerical analysis, but contrary to some models of polymer dynamics, we show that hypothesized power-law regimes g(t)∼tα are almost never present. In most but not quite all cases, plots of log(g(t)) against log(t) show smooth curves whose slopes vary continuously with time. We infer that models that predict power-law regimes for g(t) are invalid for melts of linear polymers.

摘要

我们回顾了聚合物流体的模拟,这些模拟报告了聚合物珠子、链段和链的均方位移g(t)。通过仔细的数值分析,但与一些聚合物动力学模型相反,我们表明假设的幂律 regime g(t)∼tα几乎从未出现。在大多数但并非所有情况下,log(g(t)) 对 log(t) 的图显示出平滑曲线,其斜率随时间连续变化。我们推断,预测g(t)幂律 regime的模型对于线性聚合物熔体是无效的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/ccf5df9dff17/polymers-17-01193-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/e801da98e31f/polymers-17-01193-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/d765eb18fdd0/polymers-17-01193-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/4202ec5b8df2/polymers-17-01193-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/b6ab03f16972/polymers-17-01193-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/434fee0930e7/polymers-17-01193-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/fe3b824255a4/polymers-17-01193-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/b84f4afb0e6a/polymers-17-01193-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/30b7daa65f66/polymers-17-01193-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/03644dab7762/polymers-17-01193-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/fcb941b2fffc/polymers-17-01193-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/593a4b9b933a/polymers-17-01193-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/ccf5df9dff17/polymers-17-01193-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/e801da98e31f/polymers-17-01193-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/d765eb18fdd0/polymers-17-01193-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/4202ec5b8df2/polymers-17-01193-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/b6ab03f16972/polymers-17-01193-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/434fee0930e7/polymers-17-01193-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/fe3b824255a4/polymers-17-01193-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/b84f4afb0e6a/polymers-17-01193-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/30b7daa65f66/polymers-17-01193-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/03644dab7762/polymers-17-01193-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/fcb941b2fffc/polymers-17-01193-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/593a4b9b933a/polymers-17-01193-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5224/12073395/ccf5df9dff17/polymers-17-01193-g012.jpg

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In complex fluids the Gaussian Diffusion Approximation is generally invalid.在复杂流体中,高斯扩散近似通常是无效的。
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