A molecular dynamics approach to the interfacial characteristics between melamine formaldehyde resin and paving asphalts

被引:7
作者
Dan, Han-Cheng [1 ]
Wen, Xiang [1 ]
Chen, Jiaqi [1 ]
Cao, Wei [1 ]
Jing, Hualong [1 ]
机构
[1] Cent South Univ, Sch Civil Engn, Changsha 410075, Hunan, Peoples R China
关键词
Melamine formaldehyde resin; Morphology; Interfacial adhesion; Molecular dynamics simulation; Asphaltene association; PHASE-CHANGE MATERIALS; AGING MECHANISM; FORCE-FIELD; MICROCAPSULES; PERFORMANCE; SIMULATION; COMPASS;
D O I
10.1016/j.conbuildmat.2022.130051
中图分类号
TU [建筑科学];
学科分类号
0813 ;
摘要
Various microencapsulation technologies involving different shell and core materials have been proposed in the literature for improving the asphalt mixture performance. The interfacial characteristics including adhesion between the microcapsule shell and asphalt largely determines the synergistic rheology of the blend. This study evaluated the impacts of melamine formaldehyde (MF) resin as the shell material on the interface and bulk properties of a neat and styrene-butadienestyrene (SBS) modified asphalt binders using the techniques of scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), and molecular dynamics (MD) simulation. The clear interface without voids or cracks revealed in the SEM images suggested good adhesion between MF and both asphalts. Satisfactory interfacial binding was also suggested in the FT-IT results. The absorption peak strength of the neat asphalt was higher than that of SBS modified asphalt, and the binding of MF with neat asphalt was stronger than with the modified. The modified asphalt exhibited a slightly lower compatibility due to the high difference in the solubility parameter between SBS and MF, 9.783(J/cm-3)0.5. Introduction of MF promoted self-association of the asphaltenes and enhanced the diffusion of all the four fractions in both asphalt systems. Diffusion of the asphaltenes in the neat and modified asphalts saw the highest enhancement, which was increased to 5.3915 and 3.7893 (10-10m(2)s(-1)), respectively. Increase in diffusion co-efficient was attributed to the high polarity and mobility of the MF molecules.
引用
收藏
页数:13
相关论文
共 46 条
  • [1] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE
    ANDERSEN, HC
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) : 2384 - 2393
  • [2] [Anonymous], 1993, SHRPA645 NAT RES COU
  • [3] New innovations in pavement materials and engineering: A review on pavement engineering research 2021
    Chen, Jiaqi
    Dan, Hancheng
    Ding, Yongjie
    Gao, Yangming
    Guo, Meng
    Guo, Shuaicheng
    Han, Bingye
    Hong, Bin
    Hou, Yue
    Hu, Chichun
    Hu, Jing
    Huyan, Ju
    Jiang, Jiwang
    Jiang, Wei
    Li, Cheng
    Liu, Pengfei
    Liu, Yu
    Liu, Zhuangzhuang
    Lu, Guoyang
    Ouyang, Jian
    Qu, Xin
    Ren, Dongya
    Wang, Chao
    Wang, Chaohui
    Wang, Dawei
    Wang, Di
    Wang, Hainian
    Wang, Haopeng
    Xiao, Yue
    Xing, Chao
    Xu, Huining
    Yan, Yu
    Yang, Xu
    You, Lingyun
    You, Zhanping
    Yu, Bin
    Yu, Huayang
    Yu, Huanan
    Zhang, Henglong
    Zhang, Jizhe
    Zhou, Changhong
    Zhou, Changjun
    Zhu, Xingyi
    [J]. JOURNAL OF TRAFFIC AND TRANSPORTATION ENGINEERING-ENGLISH EDITION, 2021, 8 (06) : 815 - 999
  • [4] Performance characteristics of asphalt materials based on molecular dynamics simulation - A review
    Chen, Zixuan
    Pei, Jianzhong
    Li, Rui
    Xiao, Feipeng
    [J]. CONSTRUCTION AND BUILDING MATERIALS, 2018, 189 : 695 - 710
  • [5] COMPOSITION OF ASPHALT BASED ON GENERIC FRACTIONATION USING SOLVENT DEASPHALTENING ELUTION-ADSORPTION CHROMATOGRAPHY AND DENSIMETRIC CHARACTERIZATION
    CORBETT, LW
    [J]. ANALYTICAL CHEMISTRY, 1969, 41 (04) : 576 - &
  • [6] A multiphysics evaluation of the rejuvenator effects on aged asphalt using molecular dynamics simulations
    Cui, Bingyan
    Gu, Xingyu
    Hu, Dongliang
    Dong, Qiao
    [J]. JOURNAL OF CLEANER PRODUCTION, 2020, 259
  • [7] The Effect of Moisture on the Adhesion Energy and Nanostructure of Asphalt-Aggregate Interface System Using Molecular Dynamics Simulation
    Cui, Wentian
    Huang, Wenke
    Xiao, Zhicheng
    Xie, Jiawen
    Hu, Bei
    Cai, Xu
    Wu, Kuanghuai
    [J]. MOLECULES, 2020, 25 (18):
  • [8] An improved computation method for asphalt pavement texture depth based on multiocular vision 3D reconstruction technology
    Dan, Han-Cheng
    Bai, Ge-Wen
    Zhu, Zhi-Heng
    Liu, Xiang
    Cao, Wei
    [J]. CONSTRUCTION AND BUILDING MATERIALS, 2022, 321
  • [9] Methodology for Interactive Labeling of Patched Asphalt Pavement Images Based on U-Net Convolutional Neural Network
    Dan, Han-Cheng
    Zeng, Hao-Fan
    Zhu, Zhi-Heng
    Bai, Ge-Wen
    Cao, Wei
    [J]. SUSTAINABILITY, 2022, 14 (02)
  • [10] Effects of aggregate type and SBS copolymer on the interfacial heat transport ability of asphalt mixture using molecular dynamics simulation
    Dan, Han-Cheng
    Zou, Zhuo-Min
    Zhang, Zhi
    Tan, Jia-Wei
    [J]. CONSTRUCTION AND BUILDING MATERIALS, 2020, 250