基于分子动力学的偶联剂接枝改性玄武岩纤维与沥青粘附特性研究  

Study on the Adhesion Characteristics of Silane Coupling Agent Modified Basalt Fiber to Asphalt Based on Molecular Dynamics

作　　者：杨程程 柳力[1] 刘朝晖[1] 黄优[1] 刘磊鑫 YANG Chengcheng;LIU Li;LIU Zhaohui;HUANG You;LIU Leixin(School of Traffic&Transportation Engineering,Changsha University of Science&Technology,Changsha 410114,China)

机构地区：[1]长沙理工大学交通运输工程学院,长沙410114

出　　处：《材料导报》2024年第6期274-280,共7页Materials Reports

基　　金：国家自然科学基金(52208423);湖南省研究生科研创新项目(CX20210733)。

摘　　要：为增强玄武岩纤维(BF)与沥青的界面粘附特性,采用接枝KH550型硅烷偶联剂对BF表面进行改性。采用扫描电子显微镜和红外光谱仪对KH550接枝改性BF进行微观表征,并基于分子动力学方法,运用“化学接枝”和“叠加”方式建立沥青-BF_(KH550)界面模型,研究了KH550接枝改性对BF与沥青粘附特性的增强效果及增强机理。结果表明,KH550接枝改性后,BF_(KH550)表面凸起增多、粗糙度增加,增大了BF与沥青的粘结强度;BF表面接枝的KH550个数越多,与沥青的粘附性能越好,25℃时BF表面接枝20个KH550的界面能相比不接枝KH550时增加了26.1%;经KH550接枝改性后,沥青四组分的扩散系数变化规律与不接枝KH550时相同,即饱和分>芳香分>胶质>沥青质,但其扩散系数整体比不接枝KH550时小,说明BF_(KH550)与沥青发生了较强的吸附,从而有效提高了BF与沥青的粘附性能。研究成果可为BF在沥青混合料中的推广应用提供重要参考。To enhance the interfacial adhesion property of basalt fiber to asphalt,the basalt fiber surface was modified using the grafted silane coupling agent KH550.The microscopic characterization of KH550 graft-modified basalt fiber was carried out by scanning electron microscopy and infrared spectroscopy,and the interfacial model of asphalt and BF_(KH550)was established based on the molecular dynamics method using the‘chemical grafting’and‘superposition’approaches.The results show that after KH550 graft modification,the surface of basalt fiber has more bumps and roughness,which increases the adhesion strength between basalt fiber and asphalt.The higher the number of KH550 grafted on the basalt fiber surface,the better the adhesion to the asphalt.The interfacial energy of 20 KH550 grafted on the basalt fiber surface at 25℃increased by 26.1%compared to non-grafted KH550 .After KH550 graft modification,the diffusion coefficients of the four components of the asphalt follow the same pattern as without KH550 grafting,being saturated saturate>aromatic>resin>asphaltene,but their overall diffusion coefficients are smaller than without KH550 grafting,indicating that stronger adsorption of KH550 graft-modified basalt fiber to the asphalt has occurred,thus effectively improving the adhesion properties of basalt fiber to the asphalt.The results of the study can provide an important reference for the promotion of basalt fiber in asphalt mixture.

关 键 词：硅烷偶联剂(KH550) 玄武岩纤维(BF) 化学接枝 粘附性能 分子动力学 

分 类 号：U414[交通运输工程—道路与铁道工程]