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使用基于非平衡热力学推导的多模态管模型预测高密度聚乙烯熔体流变学

Predicting High-Density Polyethylene Melt Rheology Using a Multimode Tube Model Derived Using Non-Equilibrium Thermodynamics.

作者信息

Konstantinou Pavlina C, Stephanou Pavlos S

机构信息

Department of Chemical Engineering, Cyprus University of Technology, P.O. Box 50329, 3603 Limassol, Cyprus.

出版信息

Polymers (Basel). 2023 Aug 7;15(15):3322. doi: 10.3390/polym15153322.

DOI:10.3390/polym15153322
PMID:37571216
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10422373/
Abstract

Based on the Generalized bracket, or Beris-Edwards, formalism of non-equilibrium thermodynamics, we recently proposed a new differential constitutive model for the rheological study of entangled polymer melts and solutions. It amended the shortcomings of a previous model that was too strict regarding the values of the convective constraint release parameter for the model not to violate the second law of thermodynamics, and it has been shown capable of predicting a transient stress undershoot (following the overshoot) at high shear rates. In this study, we wish to further examine this model's capability to predict the rheological response of industrial polymer systems by extending it to its multiple-mode version. The comparison with industrial rheological data (High-Density Polyethylene resins), which was based on comparison with experimental data available in (a) Small Amplitude Oscillatory shear, (b) start-up shear, and (c) start-up uniaxial elongation, was noted to be good.

摘要

基于广义括号,即贝里斯 - 爱德华兹非平衡热力学形式体系,我们最近提出了一种新的微分本构模型,用于研究缠结聚合物熔体和溶液的流变学。它修正了先前模型的缺点,即该模型对对流约束释放参数的值要求过于严格,以至于不违反热力学第二定律,并且已经证明它能够预测高剪切速率下的瞬态应力下冲(跟随上冲)。在本研究中,我们希望通过将该模型扩展到多模式版本,进一步检验其预测工业聚合物体系流变响应的能力。与工业流变数据(高密度聚乙烯树脂)的比较基于与(a)小振幅振荡剪切、(b)起始剪切和(c)起始单轴伸长中可用的实验数据的比较,结果显示良好。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/bfd343ea2808/polymers-15-03322-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/7224f112031a/polymers-15-03322-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/ba0339966ee3/polymers-15-03322-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/f1470d26a63f/polymers-15-03322-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/4f05e41190f9/polymers-15-03322-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/6aa289634e3c/polymers-15-03322-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/bfd343ea2808/polymers-15-03322-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/7224f112031a/polymers-15-03322-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/ba0339966ee3/polymers-15-03322-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/f1470d26a63f/polymers-15-03322-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/4f05e41190f9/polymers-15-03322-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/6aa289634e3c/polymers-15-03322-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d78/10422373/bfd343ea2808/polymers-15-03322-g006.jpg

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本文引用的文献

1
Simple, Accurate and User-Friendly Differential Constitutive Model for the Rheology of Entangled Polymer Melts and Solutions from Nonequilibrium Thermodynamics.基于非平衡态热力学的简单、准确且用户友好的缠结聚合物熔体和溶液流变学微分本构模型。
Materials (Basel). 2020 Jun 26;13(12):2867. doi: 10.3390/ma13122867.
2
Non-constant link tension coefficient in the tumbling-snake model subjected to simple shear.受简单剪切作用的翻滚蛇模型中的非恒定链接张力系数。
J Chem Phys. 2017 Nov 7;147(17):174903. doi: 10.1063/1.4991935.
3
Communication: Appearance of undershoots in start-up shear: Experimental findings captured by tumbling-snake dynamics.
通信:启动剪切中欠采样的出现:翻滚蛇动力学捕捉到的实验结果。
J Chem Phys. 2017 Apr 28;146(16):161101. doi: 10.1063/1.4982228.
4
Accurate prediction of the linear viscoelastic properties of highly entangled mono and bidisperse polymer melts.高度缠结的单分散和双分散聚合物熔体线性粘弹性性质的准确预测。
J Chem Phys. 2014 Jun 7;140(21):214903. doi: 10.1063/1.4878500.
5
Quantifying chain reptation in entangled polymer melts: topological and dynamical mapping of atomistic simulation results onto the tube model.量化缠结聚合物熔体中的链蠕动:原子模拟结果到管模型的拓扑和动力学映射。
J Chem Phys. 2010 Mar 28;132(12):124904. doi: 10.1063/1.3361674.
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Flow-induced orientation and stretching of entangled polymers.流动诱导的缠结聚合物的取向和拉伸。
Philos Trans A Math Phys Eng Sci. 2003 Apr 15;361(1805):677-87; discussion 687-8. doi: 10.1098/rsta.2002.1156.
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The sharkskin instability of polymer melt flows.聚合物熔体流动的鲨鱼皮不稳定性。
Chaos. 1999 Mar;9(1):154-163. doi: 10.1063/1.166386.