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Preparation and modification mechanism analysis of graphene oxide modified asphalts

机译:氧化石墨烯改性沥青的制备及改性机理分析

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摘要

Preparation of graphene oxide (GO) by oxidative dispersion, using GO as an asphalt modifier, graphene oxide modified asphalt was prepared by high temperature melting method. The effect of GO incorporation on the basic physical properties of asphalt was investigated, and the X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FTIR) were used to analyze the microstructure characteristic of GO and modified asphalt. In order to reveal the bonding mechanism between GO and asphalt, a calculation model of asphalt molecules and GO molecules was constructed. Each of constructed asphalt molecules and GO molecules were placed in the primitive cells to obtain systems of asphalt with GO. Density functional theory (DFT) was used to calculate the molecular charge density, the electron density difference, the binding energy and the number of charges transferred between asphalt and GO. The results shown that the GO improved high temperature stability and heat aging resistance of the asphalt, but unable improve the crack resistance of the asphalt. GO was stably dispersed in asphalt, GO modified asphalt by forming an intercalation structure, which improves the high temperature stability of the asphalt. However, the effect of GO on asphalt was based on the physical modification, which unable crosslink each other in the asphalt, as a result, the crack resistance of the modified asphalt unable be improved. Density functional calculation results show that the bonding of resin with GO was the most stable, followed by those for aromatic with GO, and those for saturate with GO was the weakest, GO can hinder the movement of saturate and inhibit the volatilization of saturate, thereby improving the high temperature stability and heat aging resistance of asphalt. GO molecules can form hydrogen bonds with asphalt molecules, and it can also form aromatic ring stacks with aromatic and resin molecules, these non-bond interactions were the key to the stable dispersion of GO in asphalt. (C) 2019 Elsevier Ltd. All rights reserved.
机译:通过氧化分散制备氧化石墨烯(GO),以GO为沥青改性剂,通过高温熔融法制备氧化石墨烯改性沥青。研究了GO掺入对沥青基本物理性能的影响,并使用X射线衍射(XRD),扫描电子显微镜(SEM)和傅里叶变换红外光谱(FTIR)分析了GO和沥青的微观结构特征。改性沥青。为了揭示GO与沥青的键合机理,建立了沥青分子与GO分子的计算模型。将构造的沥青分子和GO分子分别置于原始单元中,以获得具有GO的沥青体系。密度泛函理论(DFT)用于计算分子电荷密度,电子密度差,结合能以及沥青和GO之间转移的电荷数。结果表明,GO提高了沥青的高温稳定性和耐热老化性,但不能提高沥青的抗裂性。 GO稳定地分散在沥青,GO改性沥青中,通过形成插层结构,提高了沥青的高温稳定性。然而,GO对沥青的影响是基于物理改性,其不能在沥青中彼此交联,结果,不能提高改性沥青的抗裂性。密度泛函计算结果表明,树脂与GO的结合最稳定,芳族与GO的结合最弱,饱和与GO的结合最弱,GO可以阻碍饱和物的运动并抑制饱和物的挥发,从而提高沥青的高温稳定性和耐热老化性。 GO分子可以与沥青分子形成氢键,还可以与芳香族和树脂分子形成芳环叠层,这些非键相互作用是GO在沥青中稳定分散的关键。 (C)2019 Elsevier Ltd.保留所有权利。

著录项

  • 来源
    《Construction and Building Materials》 |2020年第30期|117706.1-117706.9|共9页
  • 作者

  • 作者单位

    Changsha Univ Sci & Technol Sch Phys & Elect Sci Changsha 410114 Peoples R China;

    Cent South Univ Sch Mat Sci & Engn Changsha 410083 Peoples R China;

    Changsha Univ Sci & Technol Sch Mat Sci & Engn Changsha 410114 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

    Graphene oxide; Modified asphalt; Modification mechanism; Density functional theory;

    机译:氧化石墨烯;改性沥青;修改机制;密度泛函理论;

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