沥青
沥青质
分子动力学
化学
模数
骨料(复合)
热力学
胶体
复合材料
动态模量
聚合物
动态力学分析
有机化学
材料科学
计算化学
物理
作者
Rui Li,Qiqi Guo,Hui Du,Jianzhong Pei
摘要
The asphalt-aggregate interface interaction plays a significant role in the overall performances of asphalt mixture. In order to analyze the chemical constitution of asphalt effects on the asphalt-aggregate interaction, the average structure C 64 H 52 S 2 is selected to represent the asphalt, and the colloid, saturated phenol, and asphaltene are selected to represent the major constitutions in asphalt. The molecular models are established for the three compositions, respectively, and the Molecular Dynamics (MD) simulation was conducted for the three kinds of asphaltene-aggregate system at different presses. Comparing the E value of Young modulus of these three polymers, the maximum modulus value of asphaltene was 2.80 GPa, the modulus value of colloid was secondary, and the minimum modulus of saturated phenol was 0.52 GPa. This result corresponds to conventional understanding.
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