Study of diffusion characteristics of asphalt–aggregate interface with molecular dynamics simulation

References

• Amirjalayer, S., Tafipolsky., M, and Schmid, R., 2007. Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamics. Angewandte Chemie International Edition, 46 (3), 463–466. doi: 10.1002/anie.200601746
   PubMed Web of Science ®Google Scholar
• Artok, L, et al., 1999. Structure and reactivity of petroleum-derived asphaltene. Energy & Fuels, 13 (2), 287–296. doi: 10.1021/ef980216a
   Web of Science ®Google Scholar
• Chen, Z.L., 2007. Theory and practice of molecular simulation. Beijing: Chemical Industry Press.
   Google Scholar
• Chockalingam, R, and Natarajan, U, 2015. Dynamics of conformations, hydrogen bonds and translational diffusion of poly (methacrylic acid) in aqueous solution and the concentration transition in MD simulations. Molecular Physics, 113, 3370–3382. doi: 10.1080/00268976.2015.1024776
   Web of Science ®Google Scholar
• Dubbeldam, D, et al., 2005. Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory. The Journal of Chemical Physics, 122 (22), 224712. doi: 10.1063/1.1924548
   PubMed Web of Science ®Google Scholar
• Hofmann, D, et al., 2000. Molecular simulation of small molecule diffusion and solution in dense amorphous polysiloxanes and polyimides. Computational and Theoretical Polymer Science, 10 (5), 419–436. doi: 10.1016/S1089-3156(00)00007-6
   Google Scholar
• Li, D.D. and Greenfield, M.L., 2014. Chemical compositions of improved model asphalt systems for molecular simulations. Fuel, 115 (1), 347–356. doi: 10.1016/j.fuel.2013.07.012
   Web of Science ®Google Scholar
• Lu, G., et al., 2008. Micromechanism of petroleum asphaltene aggregation. Petroleum Exploration and Development, 35 (1), 67–72. doi: 10.1016/S1876-3804(08)60010-5
   Google Scholar
• Murgich, J., Rodríguez, J., and Aray, Y., 1996. Molecular recognition and molecular mechanics of micelles of some model asphaltenes and resins. Energy & Fuels, 10 (1), 68–76. doi: 10.1021/ef950112p
   Web of Science ®Google Scholar
• Painter, P.C., 1993. The characterization of asphalt and asphalt recyclability, SHRP-A-675. Washington, DC. Available from: http://onlinepubs.trb.org/onlinepubs/shrp/SHRP-A-675.pdf
   Google Scholar
• Rogel, E. and Carbognani, L., 2003. Density estimation of asphaltenes using molecular dynamics simulations. Energy & Fuels, 17 (2), 378–386. doi: 10.1021/ef020200r
   Web of Science ®Google Scholar
• Shen, J.A., 2001. Asphalt and asphalt mixture performance. Beijing: Communications Press.
   Google Scholar
• Speight, J.G, 2007. The chemistry and technology of petroleum.4th ed. Boca Raton: CRC Press/Taylor & Francis, 945–946.
   Google Scholar
• Wang, P., et al., 2015a. Investigating the Interactions of the Saturate, Aromatic, Resin, and Asphaltene Four Fractions in Asphalt Binders by Molecular Simulations. Energy & Fuels, 29, 112–121. doi: 10.1021/ef502172n
   Web of Science ®Google Scholar
• Wang, H., et al., 2015b. Molecular dynamics simulation of asphalt-aggregate interface adhesion strength with moisture effect. International Journal of Pavement Engineering, 18 (5), 414–423. doi: 10.1080/10298436.2015.1095297
   Web of Science ®Google Scholar
• Wiehe, I.A. and Liang, K.S., 1996. Asphaltenes, resins, and other petroleum macromolecules. Fluid Phase Equilibria, 117 (1), 201–210. doi: 10.1016/0378-3812(95)02954-0
   Web of Science ®Google Scholar
• Xu, G. and Wang, H., 2016a. Molecular dynamics study of interfacial mechanical behavior between asphalt binder and mineral aggregate. Construction and Building Materials, 121, 246–254. doi: 10.1016/j.conbuildmat.2016.05.167
   Web of Science ®Google Scholar
• Xu, G. and Wang, H., 2016b. Study of cohesion and adhesion properties of asphalt concrete with molecular dynamics simulation. Computational Materials Science, 112, 161–169. doi: 10.1016/j.commatsci.2015.10.024
   Web of Science ®Google Scholar
• Yang, X.Z., 2004. Molecular simulation and polymer materials. Beijing: Science Press, 40–46.
   Google Scholar
• Yao, H., Dai, Q., and You, Z., 2017. Investigation of the asphalt-aggregate interaction using molecular dynamics. Petroleum Science and Technology, 35 (6), 586–593. doi: 10.1080/10916466.2016.1270303
   Web of Science ®Google Scholar
• Zhang, X.N., 2009. Quality control and guarantee for asphalt pavement construction. Beijing: Communications Press, 1–3.
   Google Scholar