Constitutive modeling of diffusion-limited oxidation coupled with a large deformation theory for polymer degradation

IF 3.4 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Mechanics of Materials Pub Date : 2025-02-07 DOI:10.1016/j.mechmat.2025.105270

Hossein Naderi, Roozbeh Dargazany

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引用次数: 0

Abstract

The influence of oxidation on the degradation of polymers is one of the most critical aging processes. The oxidation is usually limited to the sample’s surface, commonly called diffusion-limited oxidation (DLO). DLO occurs through the competition of simultaneous oxygen absorption, diffusion transport, and the reaction of oxygen in the elastomers. A new kinetics-based oxygen absorption model is developed and validated against multiple experimental data. In addition, the diffusion-reaction equation is extended in 3 dimensions and solved by the Alternating Direction Implicit (ADI) method. Various reaction rate functions are considered for chain scission and network reformation reactions to describe non-uniform degradation. An enhanced model is utilized to simulate the heterogeneous oxidation and to demonstrate the influence of contributing factors on the oxidation behavior of nitrite rubber. Our proposed model’s results agree with the empirical data on polymers’ oxidation degree. In addition, a constitutive model is developed that incorporates the coupling between diffusion, chemical reaction, and large deformation of polymers. The finite element implementation of the coupled multi-physics is explained in detail. The proposed constitutive model illustrates the effect of diffusion-limited oxidation (DLO) on the mechanical properties of cross-linked polymers. It numerically analyzes the coupled diffusion–reaction and mechanical behavior of polymers undergoing DLO.

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扩散限制氧化的本构建模与聚合物降解的大变形理论

氧化对聚合物降解的影响是最关键的老化过程之一。氧化通常局限于样品表面，通常称为扩散限制氧化（DLO）。DLO是通过弹性体中氧的同时吸收、扩散输运和反应的竞争而发生的。建立了一个新的基于动力学的氧吸收模型，并通过多个实验数据进行了验证。此外，将扩散反应方程扩展到三维空间，并采用交替方向隐式（ADI）方法求解。考虑了不同的反应速率函数来描述链断裂和网络重组反应的非均匀降解。利用增强模型模拟了亚硝酸盐橡胶的非均相氧化过程，并论证了各影响因素对其氧化行为的影响。我们提出的模型的结果与聚合物氧化度的经验数据一致。此外，还建立了一个包含扩散、化学反应和聚合物大变形之间耦合的本构模型。详细说明了耦合多物理场的有限元实现。提出的本构模型说明了扩散限制氧化（DLO）对交联聚合物力学性能的影响。对聚合物在DLO过程中的耦合扩散反应和力学行为进行了数值分析。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Mechanics of Materials 工程技术-材料科学：综合

CiteScore

7.60

自引率

5.10%

发文量

243

审稿时长

46 days

期刊介绍： Mechanics of Materials is a forum for original scientific research on the flow, fracture, and general constitutive behavior of geophysical, geotechnical and technological materials, with balanced coverage of advanced technological and natural materials, with balanced coverage of theoretical, experimental, and field investigations. Of special concern are macroscopic predictions based on microscopic models, identification of microscopic structures from limited overall macroscopic data, experimental and field results that lead to fundamental understanding of the behavior of materials, and coordinated experimental and analytical investigations that culminate in theories with predictive quality.