Polyurethane/graphene oxide nanocomposite and its modified asphalt binder: Preparation, properties and molecular dynamics simulation

被引：84

作者：

Yu, Ruien ^{[1
,2
]}

Wang, Qian ^{[1
]}

Wang, Wei ^{[2
]}

Xiao, Yue ^{[3
]}

Wang, Zhiyu ^{[2
]}

Zhou, Xing ^{[4
]}

Zhang, Xiaoyan ^{[2
]}

Zhu, Xijing ^{[1
]}

Fang, Changqing ^{[4
]}

机构：

[1] North Univ China, Sch Mech Engn, Taiyuan 030051, Shanxi, Peoples R China

[2] Shanxi Transportat Technol Res & Dev Co Ltd, Taiyuan 030032, Shanxi, Peoples R China

[3] Wuhan Univ Technol, State Key Lab Silicate Mat Architectures, Wuhan 430070, Hubei, Peoples R China

[4] Xian Univ Technol, Fac Printing Packaging Engn & Digital Media Techn, Xian 710054, Shaanxi, Peoples R China

来源：

MATERIALS & DESIGN | 2021年 / 209卷

基金：

中国国家自然科学基金; 中国博士后科学基金;

关键词：

Polyurethane; Graphene oxide; Modified asphalt binder; Molecular dynamics; Dispersion; STORAGE STABILITY; RHEOLOGICAL PROPERTIES; PERFORMANCE; GRAPHENE;

D O I：

10.1016/j.matdes.2021.109994

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In this paper, reactive polyurethane and graphene oxide were used to prepare polyurethane/graphene oxide (PU/GO) nanocomposite, which were polymerized in situ and then were sheared at high-speed in asphalt. The uniform dispersion of nanocomposite modified asphalt system with PU and GO was obtained. The macroscopic properties and microscopic changes of modified asphalt binders were studied from the aspects of mechanics, physical structure and composition. The relationship between the structure and properties of modified asphalt system was discussed. The molecular models of base asphalt, polyurethane modified asphalt and PU/GO nanocomposite modified asphalt were built in Materials Studio, which were simulated by molecular dynamics. The structural changes under the interaction of each molecule were analyzed. The solubility parameters, mean square displacement, radial distribution function, radius of gyration and glass transition temperature of these models were calculated. The results show that GO is well dispersed in PU and polymer particles are more uniform. The polymer particles with GO achieve good dispersion in the asphalt system. Synergy effect of polymer and nano modification was realized in the dispersed modified asphalt material and properties were improved. (c) 2021 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

引用

页数：13

共 41 条

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