This study examined the mechanisms for improving the adhesion performance of the asphalt-aggregate interface with two anti-stripping agents and two coupling agents.The investigation of contact behavior between various...This study examined the mechanisms for improving the adhesion performance of the asphalt-aggregate interface with two anti-stripping agents and two coupling agents.The investigation of contact behavior between various asphalt-aggregate surfaces was conducted using molecular dynamics(MD)simulations.The interaction energy and the relative concentration distribution were employed as the parameters to analyze the enhancement mechanisms of anti-stripping agents and coupling agents on the asphalt-aggregate interface.Results indicated that the adhesion at the asphalt-aggregate interface could be strengthened by both anti-stripping agents and coupling agents.Anti-stripping agents primarily improve adhesion through the reinforcement of electrostatic attraction,while coupling agents primarily upgrade adhesion by strengthening the van der Waals.Hence,the molecular dynamics modeling and calculation techniques presented in this study can be utilized to elucidate the development mechanism of the asphalt-aggregate interface through the use of anti-stripping agents and coupling agents.展开更多
从微观角度分析沥青老化后与集料界面粘附愈合行为,采用Materials Studio 2020软件,分别构建老化沥青、集料、老化沥青-集料界面粘附愈合模型,从密度、玻璃化转变温度和溶解度参数验证构建模型的准确性。基于分子动力学模拟,分析再生剂...从微观角度分析沥青老化后与集料界面粘附愈合行为,采用Materials Studio 2020软件,分别构建老化沥青、集料、老化沥青-集料界面粘附愈合模型,从密度、玻璃化转变温度和溶解度参数验证构建模型的准确性。基于分子动力学模拟,分析再生剂类型和温度变化对老化沥青-集料粘附愈合模型的界面相对浓度、粘附能的影响。结果表明:构建的老化沥青模型参数合理,能够表征真实老化沥青特性;随着温度的升高,界面相对浓度先升高后降低,温度为298 K时达到最大;界面相对浓度由大到小对应的再生剂类型依次为R2>R1>R4>R3,链状、小分子量再生剂对界面相对浓度提升幅度最大;温度和再生剂通过改变沥青与集料界面的粘附能,影响模型愈合速率,范德华势能是影响界面模型粘附能的主要因素。展开更多
文摘This study examined the mechanisms for improving the adhesion performance of the asphalt-aggregate interface with two anti-stripping agents and two coupling agents.The investigation of contact behavior between various asphalt-aggregate surfaces was conducted using molecular dynamics(MD)simulations.The interaction energy and the relative concentration distribution were employed as the parameters to analyze the enhancement mechanisms of anti-stripping agents and coupling agents on the asphalt-aggregate interface.Results indicated that the adhesion at the asphalt-aggregate interface could be strengthened by both anti-stripping agents and coupling agents.Anti-stripping agents primarily improve adhesion through the reinforcement of electrostatic attraction,while coupling agents primarily upgrade adhesion by strengthening the van der Waals.Hence,the molecular dynamics modeling and calculation techniques presented in this study can be utilized to elucidate the development mechanism of the asphalt-aggregate interface through the use of anti-stripping agents and coupling agents.
文摘从微观角度分析沥青老化后与集料界面粘附愈合行为,采用Materials Studio 2020软件,分别构建老化沥青、集料、老化沥青-集料界面粘附愈合模型,从密度、玻璃化转变温度和溶解度参数验证构建模型的准确性。基于分子动力学模拟,分析再生剂类型和温度变化对老化沥青-集料粘附愈合模型的界面相对浓度、粘附能的影响。结果表明:构建的老化沥青模型参数合理,能够表征真实老化沥青特性;随着温度的升高,界面相对浓度先升高后降低,温度为298 K时达到最大;界面相对浓度由大到小对应的再生剂类型依次为R2>R1>R4>R3,链状、小分子量再生剂对界面相对浓度提升幅度最大;温度和再生剂通过改变沥青与集料界面的粘附能,影响模型愈合速率,范德华势能是影响界面模型粘附能的主要因素。
