Advances in the Sticky Rouse Model and Molecular Simulation for Linear Viscoelasticity of Associative Polymers

ZHANG Lu; JIANG Nuo-fei; SHAO Jing-yu; CUI Xiang; ZHANG Hong-dong; YANG Yu-liang; TANG Ping

doi:10.14028/j.cnki.1003-3726.2024.24.289

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Advances in the Sticky Rouse Model and Molecular Simulation for Linear Viscoelasticity of Associative Polymers

更新时间：2025-01-23

- Advances in the Sticky Rouse Model and Molecular Simulation for Linear Viscoelasticity of Associative Polymers
- Polymer Bulletin Vol. 38, Issue 2, Pages: 284-297(2025)
- 作者机构：
  
  聚合物分子工程国家重点实验室，复旦大学高分子科学系，上海 200433
- 作者简介：
- 基金信息：
- DOI：10.14028/j.cnki.1003-3726.2024.24.289
  CLC：
- Received：28 September 2024，
  
  Accepted：04 November 2024，
  
  Published Online：27 November 2024，
  
  Published：20 February 2025
- 稿件说明：
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张璐, 蒋诺斐, 邵靖宇, 崔翔, 张红东, 杨玉良, 唐萍. Sticky Rouse 模型及分子模拟在缔合高分子线性粘弹性行为中的研究进展. 高分子通报, 2025, 38(2), 285–298

Zhang, L.; Jiang, N. F.; Shao, J. Y.; Cui, X.; Zhang, H. D.; Yang, Y. L.; Tang, P. Advances in the sticky rouse model and molecular simulation for linear viscoelasticity of associative polymers. Polym. Bull. (in Chinese),2025, 38(2), 285–298
张璐, 蒋诺斐, 邵靖宇, 崔翔, 张红东, 杨玉良, 唐萍. Sticky Rouse 模型及分子模拟在缔合高分子线性粘弹性行为中的研究进展. 高分子通报, 2025, 38(2), 285–298 DOI： 10.14028/j.cnki.1003-3726.2024.24.289.

Zhang, L.; Jiang, N. F.; Shao, J. Y.; Cui, X.; Zhang, H. D.; Yang, Y. L.; Tang, P. Advances in the sticky rouse model and molecular simulation for linear viscoelasticity of associative polymers. Polym. Bull. (in Chinese),2025, 38(2), 285–298 DOI： 10.14028/j.cnki.1003-3726.2024.24.289.

摘要

缔合高分子(associative polymers

APs)因其独特的动力学行为，在自修复、形状记忆、流变改性等多个生产生活领域中得到广泛应用。由于缔合相互作用的存在，高分子链运动与缔合反应发生耦合，这不仅赋予缔合高分子丰富的应用前景，也增加了其材料加工过程的复杂性。发展缔合高分子流变理论对于从分子层面理解其粘弹性质至关重要，不仅能够为其加工及应用条件提供指导，同时也有助于发掘缔合高分子的潜在应用，进一步拓展其应用领域。本文总结并分析了近年来国内外关于缔合高分子流变学理论的主要研究进展，重点介绍了从最基本的Rouse模型出发，基于平均场假设将缔合相互作用视为表观摩擦力的sticky Rouse模型(SRM)。结合分子模拟及相关的实验结果，验证了SRM的平均场假设的适用范围及局限性，并基于现有研究成果对缔合高分子体系流变理论的未来发展方向进行了展望。

Abstract

Associative polymers (APs)

due to their unique dynamic behaviors

show significant potential in fields such as self-healing

shape memory

and rheological modification. The presence of associative interactions leads to a coupling between strand motion and associative reactions

which not only broadens the application of APs

but also adds complexity to their processing. Developing a rheological theory for APs is essential for understanding their viscoelastic properties at the molecular level. Such insights not only guide processing and application conditions

but also help explore new applications

thereby further expanding the utility of APs across various fields. This paper reviews and analyzes recent advances in the rheological theories of APs

particularly focusing on the sticky Rouse model (SRM). The SRM extends the fundamental Rouse model by incorporating associative interactions as an apparent friction coefficient based on the mean-field assumption. Through molecular simulations and relevant experimental results

we validate the applicability and limitations of the mean-field assumption in the SRM. Future directions for rheological theories concerning APs are also discussed in light of current research.

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