Reëntanglement聚合物熔体的动力学可以通过快速悬挂末端收缩来解释,而不需要诉诸非普适性

IF 5.1 Q1 POLYMER SCIENCE
Andrés Córdoba*, Diego Becerra* and Jay D. Schieber*, 
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引用次数: 0

摘要

最近对纠缠聚合物熔体的分子动力学模拟表明,在停止流动时,链reëntangle在链缩回的(Rouse)时间尺度上,而不是在最长的脱离松弛时间上[O ' conconret . Macromolecules, 2019, 52, 8540−8550]。受这些结果的启发,通过使用管模型提出reëntanglement动力学是化学特异性的[Dolata等人]。[j].中国生物医学工程学报,2016,36(2):444 - 444。在这里,我们认为他们的结论来自于用一个没有足够详细描述的模型来解释模拟。我们采用离散滑链模型,它更详细,因此包含重要的波动。我们表明,这种普遍水平的描述可以描述结果,而无需诉诸化学特异性。我们的研究结果表明,大量的reëntanglement发生在罗斯时间,这掩盖了它只在脱离时间完成的事实,解决了明显的悖论。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Reëntanglement Dynamics in Polymer Melts Can Be Explained by Fast Dangling End Retraction without Resorting to Nonuniversality

Reëntanglement Dynamics in Polymer Melts Can Be Explained by Fast Dangling End Retraction without Resorting to Nonuniversality

Recent molecular dynamics simulations of entangled polymer melts suggest that chains reëntangle on the (Rouse) time scale of chain retraction, rather than on the longest, disengagement relaxation time, upon cessation of flow [O’Connor et al. Macromolecules 2019, 52, 8540−8550]. Inspired by these results, it has been suggested by using a tube model that reëntanglement kinetics are chemistry specific [Dolata et al. ACS Macro Lett. 2024, 13, 896−902]. Here we argue that their conclusions arise from interpreting simulations with a model that does not have a sufficiently detailed level of description. We employ the discrete-slip-link model, which is more detailed and so contains important fluctuations. We show that this universal level of description can describe the results without resorting to chemistry specificity. Our results suggest that a significant amount of reëntanglement happens on the Rouse time, which obscures the fact that it finishes only on the disengagement time, resolving the apparent paradox.

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来源期刊
CiteScore
10.40
自引率
3.40%
发文量
209
审稿时长
1 months
期刊介绍: ACS Macro Letters publishes research in all areas of contemporary soft matter science in which macromolecules play a key role, including nanotechnology, self-assembly, supramolecular chemistry, biomaterials, energy generation and storage, and renewable/sustainable materials. Submissions to ACS Macro Letters should justify clearly the rapid disclosure of the key elements of the study. The scope of the journal includes high-impact research of broad interest in all areas of polymer science and engineering, including cross-disciplinary research that interfaces with polymer science. With the launch of ACS Macro Letters, all Communications that were formerly published in Macromolecules and Biomacromolecules will be published as Letters in ACS Macro Letters.
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