再生剂与老化沥青微观作用机理

采用分子动力学模拟方法,根据老化沥青体系溶解度参数变化规律,研究了再生剂组分对老化沥青相容性的影响;通过体系的相互作用能分析,探讨了再生剂组分对老化沥青再生的作用机理。结果表明,芳香分有助于改善老化沥青的相容性,且芳香分掺量越大改善效果越好;饱和分则刚好相反,这与实验结论相一致。芳香分与老化沥青相互作用能随掺量增大而急剧增大,意味着两者相互吸引作用显著增强,其原因在于静电相互作用能占据主导地位,范德华相互作用能相对较小;然而饱和分与老化沥青的相互作用能随掺量变化不大,其中静电相互作用能和范德华相互作用能几乎各占一半贡献。分子间的静电相互作用能是影响老化沥青再生的主要因素。

Micro-mechanism Between Recycling Agent and Aged Asphalt

According to the solubility parameters of aged asphalt system, the effect of the recycling agent components on the compatibility of aged asphalt was studied by using the molecular dynamics method. And the mechanism between the recycling agent and the aged asphalt is investigated based on the interaction energies analysis. The results show that the aromatic is helpful to improve the compatibility of aged asphalt, and the more the aromatic is, the better the recycling effect would be. However, the effect of saturate is negative. These results are consistent with the experimental data. With the increase in dosage, the interaction energy between aromatic and aged asphalt increases significantly because of their bigger electrostatic interaction energy and smaller Van der Waals forces. However, the interaction energy between the saturate and aged asphalt shows no obvious change in which the electrostatic and van der Waals interaction energy is almost the same. The main factor for aged asphalt recycling is electrostatic interaction energy between molecules.