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Molecular simulations and experimental evaluation on the curing of epoxy bitumen

机译：环氧沥青固化的分子模拟和实验评价

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摘要

To more fundamentally understand the curing process of the epoxy modified bitumen (EMB), this study used the molecular dynamics simulation and the first principles to investigate the molecular movement and the structural change during the curing. The Fourier transform infrared spectroscopy, fluoroscopes microscopy and dynamic shear rheometer were used to characterize the chemical, structural and rheological properties. The simulation and experimental results indicated that: the diffusion speeds decreased in order of aromatics, saturates, epoxy and asphaltenes in the EMB at a typical curing temperature of 120 A degrees C; during the curing process, epoxy can easily move to aromatics and saturates; according to first principle, the covalent binding between epoxy and bitumen formed during the curing process, and calculated bond-length was very close to the experimental value; the curing efficiency decreased with the increase of the epoxy resin content; a clear network structure at a high content of 20 wt% epoxy resin can be clearly observed; the epoxy modification can improve the high-temperature deformation resistance.
机译：为了从根本上理解环氧改性沥青（EMB）的固化过程，本研究使用分子动力学模拟和第一原理研究了固化过程中的分子运动和结构变化。使用傅立叶变换红外光谱，荧光显微镜和动态剪切流变仪来表征化学，结构和流变性质。仿真和实验结果表明：在典型的120 A固化温度下，EMB中的扩散速度按芳烃，饱和烃，环氧和沥青质的顺序降低；在固化过程中，环氧树脂很容易转移到芳烃中并饱和。根据第一原理，在固化过程中，环氧树脂和沥青之间形成了共价键，计算出的键长非常接近实验值。固化效率随环氧树脂含量的增加而降低。可以清楚地观察到在环氧树脂含量为20 wt％时的清晰网络结构。环氧改性可以提高抗高温变形性。

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  • 来源
    《Materials and structures》 |2016年第2期|241-247|共7页
  • 作者

    Zhou Xinxing; Wu Shaopeng; Liu Gang; Pan Pan;

  • 作者单位

    Wuhan Univ Technol, State Key Lab Silicate Mat Architectures, Wuhan 430070, Peoples R China;

    Wuhan Univ Technol, State Key Lab Silicate Mat Architectures, Wuhan 430070, Peoples R China;

    Wuhan Univ Technol, State Key Lab Silicate Mat Architectures, Wuhan 430070, Peoples R China;

    Wuhan Univ Technol, State Key Lab Silicate Mat Architectures, Wuhan 430070, Peoples R China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Epoxy; Bitumen; Curing; Molecular dynamics simulation; First principle;

    机译：环氧树脂;固化;分子动力学模拟;第一性原理;

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