Andrés Córdoba*, Diego Becerra* and Jay D. Schieber*,
{"title":"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","authors":"Andrés Córdoba*, Diego Becerra* and Jay D. Schieber*, ","doi":"10.1021/acsmacrolett.4c0080910.1021/acsmacrolett.4c00809","DOIUrl":null,"url":null,"abstract":"<p >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\r\net al. <cite><i>Macromolecules</i></cite> <span>2019</span>, <em>52</em>, 8540−8550]. Inspired by these results, it has been suggested by using a tube model that reëntanglement kinetics are chemistry specific [Dolata et al. <cite><i>ACS Macro Lett.</i></cite> <span>2024</span>, <em>13</em>, 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.</p>","PeriodicalId":18,"journal":{"name":"ACS Macro Letters","volume":"14 3","pages":"385–390 385–390"},"PeriodicalIF":5.1000,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Reëntanglement Dynamics in Polymer Melts Can Be Explained by Fast Dangling End Retraction without Resorting to Nonuniversality\",\"authors\":\"Andrés Córdoba*, Diego Becerra* and Jay D. Schieber*, \",\"doi\":\"10.1021/acsmacrolett.4c0080910.1021/acsmacrolett.4c00809\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >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\\r\\net al. <cite><i>Macromolecules</i></cite> <span>2019</span>, <em>52</em>, 8540−8550]. Inspired by these results, it has been suggested by using a tube model that reëntanglement kinetics are chemistry specific [Dolata et al. <cite><i>ACS Macro Lett.</i></cite> <span>2024</span>, <em>13</em>, 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.</p>\",\"PeriodicalId\":18,\"journal\":{\"name\":\"ACS Macro Letters\",\"volume\":\"14 3\",\"pages\":\"385–390 385–390\"},\"PeriodicalIF\":5.1000,\"publicationDate\":\"2025-03-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Macro Letters\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acsmacrolett.4c00809\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"POLYMER SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Macro Letters","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsmacrolett.4c00809","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
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. Macromolecules2019, 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.
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.