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This study focuses on two structures, fatty acids and aromatic rings, for the microscopic molecular simulation of the rejuvenation mechanism of aged asphalt. Therefore, molecular dynamics simulation is a better choice for studying the mechanism during the mixing process of asphalt and rejuvenator and analyzing the performance change after rejuvenation. Static analytical experiments cannot clearly demonstrate this process. A dynamic change occurs in the structure and properties of the asphalt after the addition of the rejuvenator. The simulated motion of molecules can reflect the microscopic properties of real materials. This simulation accurately calculates the characteristic parameters of the molecule in the system by selecting the appropriate force field for the corresponding system. Molecular simulation as a microscopic research method has an important role in the analysis and prediction of material properties. These experiments are often related to structural analysis and do not directly reflect the performance of the rejuvenator and asphalt during use. Microscopic analysis of asphalt includes practical tests, such as Fourier infrared spectroscopy, atomic force microscopy, and gel permeation chromatography. Therefore, microlevel analysis of asphalt rejuvenation is needed in the study of asphalt mixture rejuvenation. Dissimilar molecular structures may lead to incompatibility between asphalt and rejuvenator and asphaltene agglomeration to form precipitates. The effect of the rejuvenator on the aging asphalt is influenced by its microstructure. The specific changes in the asphalt fraction during this process are difficult to describe quantitatively through practical experiments. These changes include the flow and diffusion of asphalt fractions and the oxidation and condensation reactions of the fractions.
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The aging and rejuvenation process of asphalt involves a series of physicochemical changes at the microscopic level. The rejuvenation process of asphalt mixtures usually involves changes in the proportion and material composition of the four components of aged asphalt. The solution to this problem is to understand the mechanisms inherent in the rejuvenation process of the asphalt. The hot rejuvenation technology has good environmental and economic benefits, but its implementation is an important engineering challenge. Waste asphalt mixtures that have exceeded their service life are often restored through hot recycling technology and reused for pavement placement to solve this pavement aging problem. Under the combined action of sunlight, water, and the atmosphere, asphalt pavements become hard and brittle and suffer from various types of damage, shortening the service life of the pavement.
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IntroductionĪsphalt mixture is a material commonly used for pavement laying. This study serves as a guide for the selection and development of future rejuvenators. The aromatic ring structure in the aged asphalt helps to restore the compatibility between the fractions. Results show that the long-chain structure reduces the viscosity value more than the small molecule structure. The rejuvenating effect of the rejuvenator was evaluated in terms of viscosity and cohesive energy density. Results show that small molecule structures are more diffusible than long-chain structures, and aromatic ring structures are more attracted than polar functional groups. The microscopic mechanism of asphalt rejuvenation was explained. The deagglomeration ability of rejuvenators on asphaltene was explored by using a radial distribution function. The diffusion ability of the rejuvenator was investigated by using a diffusion model and mean square displacement.
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This model was validated in terms of density and surface free energy. A model of rejuvenated asphalt was established on the basis of molecular simulation by adding different doses of two rejuvenators to the aged asphalt. This study investigates the rejuvenation mechanism of asphalt binders at the microscopic level and compares the rejuvenation effects of rejuvenators.