快速剪切中的缠结线性聚合物:基于微分管的建模评估,包括流动诱发的解缠和链翻滚

IF 2.3 3区 工程技术 Q2 MECHANICS
Christina Pyromali, Hamid Taghipour, Laurence G. D. Hawke
{"title":"快速剪切中的缠结线性聚合物:基于微分管的建模评估,包括流动诱发的解缠和链翻滚","authors":"Christina Pyromali,&nbsp;Hamid Taghipour,&nbsp;Laurence G. D. Hawke","doi":"10.1007/s00397-024-01450-2","DOIUrl":null,"url":null,"abstract":"<div><p>Flow-induced disentanglement (FID or CCR-D) and chain tumbling are two molecular mechanisms typically observed in non-equilibrium molecular dynamics simulations of entangled polymer melts under fast shear. As regards quantitative performance, classical tube models exhibit limitations at fast rates presumably due to the negligence of the aforementioned mechanisms. CCR-D or tumbling inclusion is reported in some revised tube models. For example, in Desai–Larson’s (DL) work (J Rheol 58:255–279, 2014), which focuses on uniaxial elongation, FID is coupled to the alignment and stretch status of the chains. In Costanzo et al. (Macromolecules 49:3925–3935, 2016), tumbling is accounted for via incorporation of a semi-empirical tumbling function in the stretch equation. Nevertheless, CCR-D is neglected. Here, we include tumbling in the DL differential constitutive set and we assess its performance at shear and relaxation following shear. Model predictions are compared against data on various polystyrene melts as obtained by a cone-partitioned-plate fixture.</p></div>","PeriodicalId":755,"journal":{"name":"Rheologica Acta","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Entangled linear polymers in fast shear: evaluation of differential tube-based modeling including flow-induced disentanglement and chain tumbling\",\"authors\":\"Christina Pyromali,&nbsp;Hamid Taghipour,&nbsp;Laurence G. D. Hawke\",\"doi\":\"10.1007/s00397-024-01450-2\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Flow-induced disentanglement (FID or CCR-D) and chain tumbling are two molecular mechanisms typically observed in non-equilibrium molecular dynamics simulations of entangled polymer melts under fast shear. As regards quantitative performance, classical tube models exhibit limitations at fast rates presumably due to the negligence of the aforementioned mechanisms. CCR-D or tumbling inclusion is reported in some revised tube models. For example, in Desai–Larson’s (DL) work (J Rheol 58:255–279, 2014), which focuses on uniaxial elongation, FID is coupled to the alignment and stretch status of the chains. In Costanzo et al. (Macromolecules 49:3925–3935, 2016), tumbling is accounted for via incorporation of a semi-empirical tumbling function in the stretch equation. Nevertheless, CCR-D is neglected. Here, we include tumbling in the DL differential constitutive set and we assess its performance at shear and relaxation following shear. Model predictions are compared against data on various polystyrene melts as obtained by a cone-partitioned-plate fixture.</p></div>\",\"PeriodicalId\":755,\"journal\":{\"name\":\"Rheologica Acta\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-06-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Rheologica Acta\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s00397-024-01450-2\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MECHANICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Rheologica Acta","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s00397-024-01450-2","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MECHANICS","Score":null,"Total":0}
引用次数: 0

摘要

流动诱导解缠(FID 或 CCR-D)和链翻滚是快速剪切下缠结聚合物熔体的非平衡分子动力学模拟中通常观察到的两种分子机制。在定量性能方面,经典管模型在快速速率下表现出局限性,这可能是由于忽略了上述机制。据报道,在一些修正的管模型中存在 CCR-D 或翻滚包容。例如,Desai-Larson(DL)的研究(J Rheol 58:255-279,2014 年)侧重于单轴伸长,FID 与链的排列和拉伸状态相关联。在 Costanzo 等人(Macromolecules 49:3925-3935, 2016)的研究中,通过在拉伸方程中加入半经验翻滚函数,对翻滚进行了考虑。然而,CCR-D 却被忽略了。在此,我们将翻滚纳入了 DL 差分构成集,并评估了其在剪切和剪切后松弛时的性能。我们将模型预测与锥形分隔板夹具获得的各种聚苯乙烯熔体的数据进行了比较。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Entangled linear polymers in fast shear: evaluation of differential tube-based modeling including flow-induced disentanglement and chain tumbling

Entangled linear polymers in fast shear: evaluation of differential tube-based modeling including flow-induced disentanglement and chain tumbling

Flow-induced disentanglement (FID or CCR-D) and chain tumbling are two molecular mechanisms typically observed in non-equilibrium molecular dynamics simulations of entangled polymer melts under fast shear. As regards quantitative performance, classical tube models exhibit limitations at fast rates presumably due to the negligence of the aforementioned mechanisms. CCR-D or tumbling inclusion is reported in some revised tube models. For example, in Desai–Larson’s (DL) work (J Rheol 58:255–279, 2014), which focuses on uniaxial elongation, FID is coupled to the alignment and stretch status of the chains. In Costanzo et al. (Macromolecules 49:3925–3935, 2016), tumbling is accounted for via incorporation of a semi-empirical tumbling function in the stretch equation. Nevertheless, CCR-D is neglected. Here, we include tumbling in the DL differential constitutive set and we assess its performance at shear and relaxation following shear. Model predictions are compared against data on various polystyrene melts as obtained by a cone-partitioned-plate fixture.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Rheologica Acta
Rheologica Acta 物理-力学
CiteScore
4.60
自引率
8.70%
发文量
55
审稿时长
3 months
期刊介绍: "Rheologica Acta is the official journal of The European Society of Rheology. The aim of the journal is to advance the science of rheology, by publishing high quality peer reviewed articles, invited reviews and peer reviewed short communications. The Scope of Rheologica Acta includes: - Advances in rheometrical and rheo-physical techniques, rheo-optics, microrheology - Rheology of soft matter systems, including polymer melts and solutions, colloidal dispersions, cement, ceramics, glasses, gels, emulsions, surfactant systems, liquid crystals, biomaterials and food. - Rheology of Solids, chemo-rheology - Electro and magnetorheology - Theory of rheology - Non-Newtonian fluid mechanics, complex fluids in microfluidic devices and flow instabilities - Interfacial rheology Rheologica Acta aims to publish papers which represent a substantial advance in the field, mere data reports or incremental work will not be considered. Priority will be given to papers that are methodological in nature and are beneficial to a wide range of material classes. It should also be noted that the list of topics given above is meant to be representative, not exhaustive. The editors welcome feedback on the journal and suggestions for reviews and comments."
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信