Molecular Dynamics Simulation and Experimental Study of the Compatibility Enhancement of Linoleic Acid on the Desulfurized Rubber-modified Asphalt
摘要
To enhance the compatibility of high-volume desulfurized rubber-modified asphalt, a modified asphalt was prepared through high-temperature shearing of desulfurized rubber extruded from a twin-screw extruder with matrix asphalt and linoleic acid. The impact of linoleic acid on the performance of desulfurization asphalt rubber was examined through basic physical properties tests and rheological tests, while the influence of linoleic acid on the compatibility of desulfurization asphalt rubber and its compatibility mechanism was investigated via storage stability and infrared tests. Changes in solubility parameters and binding energy were explored using molecular dynamics simulation. The results revealed that the optimal content of linoleic acid is 6%. This method improved the compatibility of modified asphalt, resulting in a significant increase in deformation resistance and low-temperature performance, a smaller difference in solubility parameter values, and an increase in maximum binding energy for the modified asphalt. Analysis indicated that linoleic acid supplemented the light components of asphalt, enabling full swelling of desulfurized rubber particles and reducing phase separation within the modified asphalt. Furthermore, linoleic acid provided active functional groups that underwent addition and esterification reactions with desulfurized rubber and asphalt, thereby promoting compatibility within desulfurized rubber-modified asphalt.