[1] ZHANG Ke, MIN Zhaohui, HAO Xiatong, HUANG Wei, et al. Molecular scale analysis of the properties and toughening mechanism of polyethylene glycol modified epoxy asphalt [J]. Journal of Southeast University (English Edition), 2025, 41 (1): 20-26. [doi:10.3969/j.issn.1003-7985.2025.01.003]

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Molecular scale analysis of the properties and toughening mechanism of polyethylene glycol modified epoxy asphalt()

聚乙二醇改性环氧沥青性能及增韧机理的分子尺度分析

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Journal of Southeast University (English Edition)[ISSN:1003-7985/CN:32-1325/N]

Volumn:

41

Issue:

2025 1

Page:

20-26

Research Field:

Traffic and Transportation Engineering

Publishing date:

2025-03-07

Info

Title:

Molecular scale analysis of the properties and toughening mechanism of polyethylene glycol modified epoxy asphalt

聚乙二醇改性环氧沥青性能及增韧机理的分子尺度分析

Author(s):

ZHANG Ke¹; 2;  MIN Zhaohui¹;  HAO Xiatong²;  HUANG Wei¹;  SHAO Kaimo³

1.Intelligent Transportation System Research Center, Southeast University, Nanjing 211189, China
2.School of Transportation, Southeast University, Nanjing 211189, China
3.Nanjing Modern Multimodal Transportation Laboratory, Nanjing 211100, China

张珂¹; 2;  闵召辉¹;  郝夏桐²;  黄卫¹;  邵楷模³

1.东南大学智能运输系统与研究中心，南京 211189
2.东南大学交通学院，南京 211189
3.南京现代综合交通实验室，南京 211100

Keywords:

molecular simulation;  crosslinked epoxy asphalt;  thermodynamic properties;  mechanical properties;  toughening mechanism

分子模拟; 交联环氧沥青; 热力学性能; 力学性能; 增韧机理

PACS:

U414

DOI:

10.3969/j.issn.1003-7985.2025.01.003

Abstract:

Polyethylene glycol (PEG) with different chains was used to modify epoxy asphalt. Molecular models of PEG‑modified epoxy asphalt were developed using molecular simulations (MS). The thermodynamic and mechanical properties of PEG‑modified epoxy asphalt were analyzed, and its toughening mechanisms were explored. A method based on the Dijkstra algorithm was proposed to evaluate epoxy asphalt crosslinked networks. The results show that the introduction of PEG chains into epoxy asphalt can lower the glass transition temperature and enhance its toughness because of the extended length of the PEG chains, which can increase the free volume and improve the mobility of the epoxy resin in the epoxy asphalt. The crosslinked network quantitative evaluation method based on the Dijkstra algorithm can effectively evaluate the distribution of epoxy asphalt crosslinking bonds, providing further explanation of the toughening mechanism of PEG‑modified epoxy asphalt. The feasibility of designing and screening epoxy asphalt materials by MS is verified, and a guide for toughening mechanism research of epoxy asphalt at the molecular level is provided.

采用不同链长的聚乙二醇（PEG）对环氧沥青进行改性，基于分子模拟技术构建了PEG改性环氧沥青的分子模型。分析了PEG改性环氧沥青的热力学和机械性能，探讨了PEG改性环氧沥青的增韧机制，并开发了一种用于评价环氧沥青交联网络的算法。结果表明，引入PEG链可降低环氧沥青的玻璃化转变温度并增强其韧性，这归因于PEG链的延长可增加自由体积并改善环氧沥青中环氧树脂的流动性。采用基于Dijkstra算法提出的交联网络定量评价方法，可以有效评估环氧沥青交联点的分布，有利于理解PEG改性环氧沥青的增韧机制。验证了采用分子模拟进行设计和筛选环氧沥青材料的可行性，并为分子水平上的环氧沥青增韧机理研究提供了指导。

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Memo

Memo:

Received 2024-06-27,Revised 2024-09-06.
Biographies: Zhang Ke (1997—), female, Ph.D. candidate; Min Zhaohui (corresponding author), male, doctor, associate professor, minzhaohui@seu.edu.cn.
Foundation items:The Major Science and Technology Project of Nanjing (No.202209012), the Postgraduate Research and Practice Innovation Program of Jiangsu Province (No.KYCX22-0277).
Citation:ZHANG Ke,MIN Zhaohui,HAO Xiatong,et al.Molecular scale analysis of the properties and toughening mechanism of polyethylene glycol modified epoxy asphalt[J].Journal of Southeast University (English Edition),2025,41(1):20-26.DOI:10.3969/j.issn.1003-7985.2025.01.003.DOI:10.3969/j.issn.1003-7985.2025.01.003

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