Evolution of Polymer Melt Conformation and Entanglement under High-Rate Elongational Flow

Jia-Peng Zhang; Li-Cheng Ma; Yong-Jin Ruan; Yu-Yuan Lu; Li-Jia An

doi:10.1007/s10118-024-3170-0

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Evolution of Polymer Melt Conformation and Entanglement under High-Rate Elongational Flow

RESEARCH ARTICLE | Updated：2024-12-03

- Evolution of Polymer Melt Conformation and Entanglement under High-Rate Elongational Flow
- Evolution of Polymer Melt Conformation and Entanglement under High-Rate Elongational Flow
- 高分子科学（英文版） 2024年42卷第12期页码：2021-2029
- Affiliations：
  
  a.State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  b.School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei 230026, China
- Author bio：
  
  yjruan@ciac.ac.cn (Y.J.R.)
  yylu@ciac.ac.cn (Y.Y.L.)
  ljan@ciac.ac.cn (L.J.A.)
- Funds：
  
  This work was financially supported by the National Key R&D Program of China (Nos. 2020YFA0713601 and 2023YFA1008800), the National Natural Science Foundation of China (Nos. 22341304, 22341303, 22103079 and 22073092), and the Cooperation Project between Jilin Province and CAS (No. 2023SYHZ0003). Y. Ruan expresses gratitude to Dr. J. Ramírez for assistance with the RepTate software.
- DOI：10.1007/s10118-024-3170-0
  中图分类号：
- 收稿：2024-04-28，
  
  修回：2024-05-12，
  
  录用：2024-05-21，
  
  网络首发：2024-08-20，
  
  纸质出版：2024-12-01
- Accepted：
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Zhang, J. P.; Ma, L. C.; Ruan, Y. J.; Lu, Y. Y.; An, L. J. Evolution of polymer melt conformation and entanglement under high-rate elongational flow. Chinese J. Polym. Sci. 2024, 42, 2021–2029

Jia-Peng Zhang, Li-Cheng Ma, Yong-Jin Ruan, et al. Evolution of Polymer Melt Conformation and Entanglement under High-Rate Elongational Flow[J]. Chinese Journal of Polymer Science, 2024, 42(12): 2021-2029.
Zhang, J. P.; Ma, L. C.; Ruan, Y. J.; Lu, Y. Y.; An, L. J. Evolution of polymer melt conformation and entanglement under high-rate elongational flow. Chinese J. Polym. Sci. 2024, 42, 2021–2029 DOI： 10.1007/s10118-024-3170-0.

Jia-Peng Zhang, Li-Cheng Ma, Yong-Jin Ruan, et al. Evolution of Polymer Melt Conformation and Entanglement under High-Rate Elongational Flow[J]. Chinese Journal of Polymer Science, 2024, 42(12): 2021-2029. DOI： 10.1007/s10118-024-3170-0.

摘要

This study employed molecular dynamics simulations to investigate the rheological properties of three polymer melts with equivalent degrees of entanglement. Higher stretching rates led to significant alignment and elongation of polymer chains. Molecular-level analysis of entanglement evolution supports the hypothesis of no entanglement between polymer chains during rapid steady-state elongation.

Abstract

Using molecular dynamics (MD) simulations

this study explores the fluid properties of three polymer melts with the same number of entanglements

achieved by adjusting the entanglement length

while investigating the evolution of polymer melt conformation and entanglement under high-rate elongational flow. The identification of a master curve indicates consistent normalized linear viscoelastic behavior. Surprising findings regarding the steady-state viscosity at various elongational rates (

4.7) for polymer melts with the same

have been uncovered

challenging existing tube models. Nevertheless

the study demonstrates the potential for normalizing the steady-state elongational viscosity at high rates (

4.7) by scaling with the square of the chain contour length. Additionally

the observed independence of viscosity on the elongational rate at high rates suggests that higher rates lead to a more significant alignment of polymer chains

a decrease in entanglement

and a stretching in contour length of polymer chains. Molecular-level tracking of tagged chains further supports the assumption of no entanglement under rapid elongation

emphasizing the need for further research on disentanglement in polymer melts subjected to high-rate elongational flow. These results carry significant implications for understanding and predicting the behavior of polymer melts under high-rate elongational flow conditions.

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Keywords

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