分子动力学模拟在胶粉改性沥青中的应用

Application of molecular dynamics simulation in rubber powder modified asphalt

为研究不同胶粉掺量下废旧轮胎橡胶改性沥青的力学性能,借助Materials Studio软件,对塔河AH-90#沥青进行四组分配料试验(沥青质、饱和酚、芳香酚和胶质),建立分子模型并验证模型的准确性。选取6组不同质量分数比的丁苯橡胶和天然橡胶,构建组合橡胶改性沥青分子模型。通过不同温度下的分子动力学模拟,得到100%丁苯橡胶胶粉与沥青相容性最好,160℃为橡胶和沥青的最佳掺拌温度。选择相容性最好的橡胶改性沥青,对不同胶粉掺量进行力学模拟,得到20%胶粉掺量的改性沥青剪切性能最优。

To study the mechanical properties of waste tire rubber powder modified asphalt at different dosages,the four-component experiment of asphaltene,saturated phenol,aromatic phenol,and gum on Tahe AH-90#asphalt was carried out by Materials Studio software.And then molecular model was established and accuracy of the model was verified.Six different combinations of rubber’s mass fraction ratio were selected to construct a molecular model combined asphalt rubber modified asphalt.By molecular dynamics simulation at different temperatures,the 100%styrene butadiene rubber powder has the best compatibility with asphalt,and 160℃is the best mix temperature for rubber and asphalt.The rubber modified asphalt with the best compatibility was selected,and the mechanical simulation of different rubber powder content was carried out.The shear performance of the modified asphalt with 20%rubber powder content is the best.