Density and volume of asphalt molecules

Density and volume of asphalt molecules

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In order to reveal the nature of the Ultraviolet aging(UV-aging) behavior of asphalt molecules, simulation by Materials Studio software. The effect of UV aging on the transformation, aggregation and motion state of asphalt microstructure is analyzed by the changes in energy, density of dispersive phase, glass transition temperature and viscosity of...

Contexts in source publication

Context 1
... order to obtained accurate simulation results, the density and volume of the dispersed phase in the last frame of the simulation step (251 frame) were selected as the output results in this paper. The simulation results of density and volume of normal asphalt and UVaged asphalt molecules at different temperatures are shown in Table 3. As shown in Table 3, the kinetic behavior of the equilibrium state of both normal asphalt molecules and UV-aged asphalt molecules showed that the density of the dispersed phase decreased with the increase of the simulation temperature, while the volume gradually increased, and the density and volume of the dispersed phase showed an obvious inverse proportional relationship, which was mainly due to the kinetic simulation of the isothermal isobaric system (NPT) selected, in which the total number of molecules remained constant, the density and volume has an obvious inverse linear relationship, which also illustrates the accuracy of the asphalt model from the side. ...
Context 2
... simulation results of density and volume of normal asphalt and UVaged asphalt molecules at different temperatures are shown in Table 3. As shown in Table 3, the kinetic behavior of the equilibrium state of both normal asphalt molecules and UV-aged asphalt molecules showed that the density of the dispersed phase decreased with the increase of the simulation temperature, while the volume gradually increased, and the density and volume of the dispersed phase showed an obvious inverse proportional relationship, which was mainly due to the kinetic simulation of the isothermal isobaric system (NPT) selected, in which the total number of molecules remained constant, the density and volume has an obvious inverse linear relationship, which also illustrates the accuracy of the asphalt model from the side. ...
Context 3
... on the data of density and volume of normal and UV-aged asphalt molecules in Table 3, scatter graphs of density and volume at different temperatures were plotted, and linear regression curves were tted on each side of the curve inection point to predict the glass transition temperature of the system [Du et al. 2012]. Because of the inverse relationship between density and volume, the intersection of the two linearly tted density scatter curves should be consistent with the intersection of the tted volume scatter curves, and the intersection point is the glass transition temperature of the asphalt model. ...

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