Molecular dynamics simulation and curing kinetics of recycled PET /PEGc toughened epoxy resin

IF 4.5 3区工程技术 Q1 CHEMISTRY, APPLIED

Reactive & Functional Polymers Pub Date : 2025-02-01 DOI:10.1016/j.reactfunctpolym.2024.106142

Yanyou Huang, Liangdong Ye, Qiaoyan Wei, Dacheng Li, Zengju Wu, Liling Zhang, Chuanheng Yu, Ziwei Li, Shaorong Lu

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引用次数: 0

Abstract

Enhancing the toughness of epoxy resin (EP) and optimizing the recovery of polyethylene terephthalate (PET) constitute significant challenges in current product manufacturing and environmental protection domains. In this work, toughening of epoxy resin was studied using recycled polyethylene terephthalate (rPET) as toughening agent and multi-carboxyl polyethylene glycol (PEGc) synthesized from polyethylene glycol and trimellitic anhydride as a modifier. Mechanical property tests indicated that the addition of 6 phr of rPET increased the impact strength of the epoxy resin from 6.77 ± 2.26 kJ/m² to 19.10 ± 3.53 kJ/m². Moreover, the further addition of PEGc could produce a significant toughening effect with rPET. Specifically, the impact strength, tensile strength, and elastic modulus of the epoxy resin containing 6 phr of rPET and 15 phr of PEGc increased by 318.8 %, 13.9 %, and 23.9 %, respectively, compared with those of pure EP. The significant toughening effect is attributed to the skeleton provided by rPET and flexible molecular chains provided by PEGc. Meanwhile, the results of molecular dynamics simulation confirmed that PEGc can effectively enhance the modulus of rPET/EP composites. Through the curing kinetic parameters obtained from non-isothermal DSC tests, the Kamal autocatalytic model was found to better describe the curing reaction process of the epoxy composites. This work provides a low-cost route for fabricating epoxy composites with excellent toughness.

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来源期刊

Reactive & Functional Polymers 工程技术-高分子科学

CiteScore

8.90

自引率

5.90%

发文量

259

审稿时长

27 days

期刊介绍： Reactive & Functional Polymers provides a forum to disseminate original ideas, concepts and developments in the science and technology of polymers with functional groups, which impart specific chemical reactivity or physical, chemical, structural, biological, and pharmacological functionality. The scope covers organic polymers, acting for instance as reagents, catalysts, templates, ion-exchangers, selective sorbents, chelating or antimicrobial agents, drug carriers, sensors, membranes, and hydrogels. This also includes reactive cross-linkable prepolymers and high-performance thermosetting polymers, natural or degradable polymers, conducting polymers, and porous polymers. Original research articles must contain thorough molecular and material characterization data on synthesis of the above polymers in combination with their applications. Applications include but are not limited to catalysis, water or effluent treatment, separations and recovery, electronics and information storage, energy conversion, encapsulation, or adhesion.