Performance Analysis of Direct Coal Liquefaction Residue (DCLR) and Trinidad Lake Asphalt (TLA) for the Purpose of Modifying Traditional Asphalt

Analysis of Nano-ZnO-Modified Asphalt Compatibility Based on Molecular Dynamics

“…After establishing the molecular model of the matrix asphalt, m namics calculations were performed using the Forcite module to ma rium, and the COMPASS II force field was used to reduce the energy using the most rapid descent method to minimize its potential energ mizing and minimizing the energy of the system, it was relaxed for the NPT system with a pressure of 1 atm and a temperature of 298.1 a stable bitumen model with dimensions of 37.75 Å × 37.75 Å × 37.7 shows the density of the matrix bitumen model. As can be seen from Figure 3, the density of the matrix asphalt proximately 1.006 g/cm 3 , which is very close to the laboratory-meas of 1.0 g/cm 3 , and the model can be judged to be reasonable [28].…”

“…As can be seen from Figure 3 , the density of the matrix asphalt model is approximately 1.006 g/cm 3 , which is very close to the laboratory-measured density of 1.0 g/cm 3 , and the model can be judged to be reasonable [ 28 ].…”

“…Based on the lattice parameters and space group information, th terface model was reconstructed using MS software to construct th crystal model (Figure 4). In the MS cluster construction interface, the set to be spherical, and the cluster diameters were 4 Å, 5 Å, and 6 Å t diameters of nano-ZnO clusters, and their 3D models are shown in F As can be seen from Figure 3, the density of the matrix asphalt model is approximately 1.006 g/cm 3 , which is very close to the laboratory-measured density of 1.0 g/cm 3 , and the model can be judged to be reasonable [28].…”