Discrete Element Simulation of Thermal Remodeling Behavior in Vitrimer Multi-Particle Systems

WU Zhicheng; GUO Wei; ZHANG Zehao; ZHU Qingzhe; ZHANG Qiaogen; WANG Guoli; GAO Chao

doi:10.7652/xjtuxb202602017

您当前的位置：

首页 >

文章列表页 >

Discrete Element Simulation of Thermal Remodeling Behavior in Vitrimer Multi-Particle Systems

更新时间：2026-02-09

- Discrete Element Simulation of Thermal Remodeling Behavior in Vitrimer Multi-Particle Systems
- Journal of Xi'an Jiaotong University Vol. 60, Issue 2, Pages: 175-182(2026)
- 作者机构：
  
  西安交通大学电工材料电气绝缘全国重点实验室，710049，西安
  南方电网科学研究院有限责任公司，510663，广州
- 作者简介：
- 基金信息：
- DOI：10.7652/xjtuxb202602017
  CLC： TM211
- Received：19 May 2025，
  
  Published：10 February 2026
- 稿件说明：
移动端阅览
WU Zhicheng, GUO Wei, ZHANG Zehao, et al. Discrete Element Simulation of Thermal Remodeling Behavior in Vitrimer Multi-Particle Systems[J]. Journal of Xi'an Jiaotong University, 2026, 60(2): 175-182.
DOI：

WU Zhicheng, GUO Wei, ZHANG Zehao, et al. Discrete Element Simulation of Thermal Remodeling Behavior in Vitrimer Multi-Particle Systems[J]. Journal of Xi'an Jiaotong University, 2026, 60(2): 175-182. DOI： 10.7652/xjtuxb202602017.

摘要

针对难降解环氧固废所带来的资源环境问题，基于高温下动态交联键可重排的类玻璃体高分子（Vitrimer）材料，开展了多颗粒系统热重塑行为的离散元模拟研究。考虑到颗粒间复杂的相互作用，引入Vitrimer本构模型，并结合堆积角标定实验来确定颗粒摩擦因数，建立了多颗粒系统“形变-接触-反应”的热-力耦合离散元模型，实现了热重塑过程中颗粒间应力、温度与孔隙演变的数值模拟。结果表明：Vitrimer多颗粒系统热重塑过程中，颗粒间切向压力是法向压力的3.7倍，热重塑反应过程主要沿切向来进行；颗粒间存在较大温度梯度，最大温差为43℃，可采用梯度温控策略以抑制键网络异构化；热重塑压力要与材料储能模量相匹配，从而可协同调控孔隙率与结构的完整性。经过实验验证，热重塑后材料三点弯曲断裂载荷实测值、模拟值分别为10.4、9.9 N，表明模型可有效模拟Vitrimer多颗粒系统的热重塑过程。研究结果可为探究Vitrimer多颗粒系统热重塑的外部条件、颗粒行为提供一定的理论依据，并可为发展绿色循环材料体系提供技术支撑。

Abstract

To address the resource and environmental issues caused by non-degradable epoxy solid waste，a discrete element simulation study on the thermal remodeling behavior of multi-particle systems was conducted，based on vitrimer materials capable of dynamic cross-link rearrangement at high temperatures.Considering the complex interactions between particles，a vitrimer constitutive model was introduced.The particle friction coefficient was determined through angle of repose calibration experiments.A thermo-mechanical coupled discrete element model integrating “deformation-contactreaction”mechanisms for multi-particle systems was established，enabling the numerical simulation of inter-particle stress，temperature，and pore evolution during the thermal remodeling process.The results indicate that during the thermal remodeling of the vitrimer multi-particle system，the tangential pressure between particles is 3.7 times the normal pressure，suggesting that the thermal remodeling reaction proceeds primarily along the tangential direction. A significant temperature gradient exists between particles，with a maximum temperature difference of 43℃；thus，a graded temperature control strategy can be adopted to suppress bond network heterogeneity. The applied remodeling pressure must match the material's storage modulus to synergistically regulate porosity and structural integrity.Experimental validation shows that the measured and simulated three-point bending fracture loads of the remodeled material are 10.4 N and 9.9 N，respectively，demonstrating that the model effectively simulates the thermal remodeling process of vitrimer multi-particle systems.The findings provide a theoretical basis for investigating the external conditions and particle behavior during the thermal remodeling of vitrimer multi-particle systems and offer technical support for the development of green circular material systems.

关键词

Keywords

references

周远翔,刘轩昊,朱小倩,等.低温环境对环氧树脂电气性能的影响[J].高电压技术, 2023, 49 (7):2891-2899.

ZHOU Yuanxiang, LIU Xuanhao, ZHU Xiaoqian, et al.Influence of low-temperature environment on the electrical properties of epoxy resin[J].High Voltage Engineering, 2023, 49(7):2891-2899.

伍云健,胡益然,林慧,等.基于席夫碱基的可降解环氧绝缘材料性能研究[J].高电压技术, 2023, 49 (11):4490-4497.

WU Yunjian, HU Yiran, LIN Hui, et al.Study on properties of degradable epoxy insulation materials based on Schiff base[J].High Voltage Engineering, 2023, 49(11):4490-4497.

WU Zhicheng, LIN Binqi, FAN Jiasheng, et al.Effect of dielectric relaxation of epoxy resin on dielectric loss of medium-frequency transformer[J]. IEEE Transac tions on Dielectrics and Electrical Insulation, 2022, 29 (5):1651-1658.

张樱凡,黄正勇,王浩欢,等.可回收和高性能3D打印树脂的制备方法[J].高电压技术, 2023, 49(3):962-970.

ZHANG Yingfan, HUANG Zhengyong, WANG Haohuan, et al.Preparation of recyclable and high-performance 3D printing resins[J].High Voltage Engineering, 2023, 49(3):962-970.

杨国清,蒋超璐,张中杨,等.冷热冲击下纳米粒子改性硅橡胶/环氧树脂绝缘修复涂料耐电特性[J].高电压技术, 2024, 50(5):2207-2216.

YANG Guoqing, JIANG Chaolu, ZHANG Zhongyang, et al.Electrical resistance characteristics of nanoparticle-modified silicone rubber/epoxy resin insulation repair coatings under cold thermal shock[J].High Voltage Engineering, 2024, 50(5):2207-2216.

CAPELOT M, UNTERLASS M M, TOURNILHAC F, et al.Catalytic control of the vitrimer glass transition[J].ACS Macro Letters, 2012, 1(7):789-792.

VAN ZEE N J, NICOLAŸ R.Vitrimers:permanently crosslinked polymers with dynamic network topology[J]. Progress in Polymer Science, 2020, 104:101233.

SHI Qian, JIN Chenyu, CHEN Zhiqiang, et al.On the welding of vitrimers:chemistry, mechanics and applications[J].Advanced Functional Materials, 2023, 33(36):2300288.

MADDULURI V R, BENDI A.Recent advances in vitrimers:a detailed study on the synthesis, properties and applications of bio-vitrimers[J].Journal of Polymers and the Environment, 2025, 33(1):301-322.

SCHENK V, LABASTIE K, DESTARAC M, et al. Vitrimer composites:current status and future challenges[J].Materials Advances, 2022, 3(22):8012-8029 .

MA Jingcheng, PORATH L E, HAQUE M F, et al. Ultra-thin self-healing vitrimer coatings for durable hydrophobicity[J].Nature Communications, 2021, 12 (1):5210.

ZHAO Hengheng, WEI Hengheng, FANG Yue, et al.Molecular dynamics simulation of the structural, mechanical, and reprocessing properties of vitrimers based on a dynamic covalent polymer network[J]. Macromolecules, 2022 , 55(4):1091-1103 .

YU Kai, SHI Qian, LI Hao, et al.Interfacial welding of dynamic covalent network polymers[J].Journal of the Mechanics and Physics of Solids, 2016 , 94:1-17.

YU Luxia, SUN Xiaohao, JIN Yinghua, et al.Me chanics of vitrimer particle compression and fusion under heat press[J].International Journal of Mechanical Sciences, 2021, 201:106466.

SHI Jianpei, SHAN Zhongde, YANG Haoqin.Research on the macro-and meso-mechanical properties of frozen sand mold based on Hertz-Mindlin with bonding model[J].Particuology, 2024, 88:176-191.

SHAIKH S A, LI Yaoming, MA Zheng, et al.Discrete element method (DEM) simulation of single grouser shoe-soil interaction at varied moisture contents[J].Computers and Electronics in Agriculture, 2021, 191:106538.

RICHESSON S, SAHIMI M.Hertz-Mindlin theory of contacting grains and the effective-medium approximation for the permeability of deforming porous media[J]. Geophysical Research Letters, 2019, 46 (14):8039-8045 .

ROJEK J.Contact modeling in the discrete element method[M].Berlin, Germany:Springer International Publishing, 2018:177-228.

POTYONDY D O, CUNDALL P A.Abonded-particle model for rock[J].International Journal of Rock Mechanics and Mining Sciences, 2004, 41 (8 ):1329-1364.

LIU Hechen, SUN Zhanglin, WEI Liwei, et al. Double-dynamic crosslinked epoxy vitrimer resin prepared using transesterification and dynamic disulfide bonds: high-performance, degradable, self-healing, environment-friendly[J].Polymer Testing, 2023, 126:108145.

VAN ZEE N J, NICOLAŸR.Vitrimer chemistry and applications[M].2nd ed.Hoboken, NJ, USA:John Wiley & Sons, Inc., 2022:1-38.

GUO Zhiguo, CHEN Xueli, LIU Haifeng, et al.Theoretical and experimental investigation on angle of repose of biomass-coal blends[J].Fuel, 2014, 116:131-139.

吴爱祥,孙业志,刘湘平.散体动力学理论及其应用[M].北京:冶金工业出版社, 2002.

CAPELOT M, MONTARNAL D, TOURNILHAC F, et al.Metal-catalyzed transesterification for healing and assembling of thermosets[J].Journal of the American Chemical Society, 2012, 134(18):7664-7667.

Views

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

Numerical Simulation of the Energy Conversion Process in Thermoacoustic Engines with Different Stack Materials

Electrothermal Coupling Research on the Evolutionary Law of Anti-Corona Performance for High-Altitude Air-Cooled Generators

Diffusion Characteristics and Influencing Factors in Case of Hydrogen Leakage from Fuel Cell Vehicles Running in Tunnels

Effects of Expansion Angle Crater Film Hole on the Film Cooling Characteristics of a Double-Wall Structure

Energy Efficiency Optimization of the Cryogenic Air Separation Process for Electronic-Grade Ultra Pure Nitrogen

Related Author

No data

Related Institution

No data

⁰