Study of Bonding Property of Warm Mix Asphalt Based on Binder Bond Strength and Molecular Dynamics Simulations
Publication: Journal of Materials in Civil Engineering
Volume 35, Issue 11
Abstract
The bonding property plays a crucial role in the durability of the asphalt mixture. Warm-mix asphalt (WMA) commonly is used for energy-efficient pavements. The addition of warm-mix additives makes the behavior of the bonding property more complex, especially its atomic-level mechanism. To better clarify the multiscale behavior of WMA bonding property, three typical WMA binders, namely Sasobit-modified asphalt binder, Evotherm-modified asphalt binder, and waste cooking oil (WCO)-modified asphalt binder were selected. The binder bond strength (BBS) test was carried out to evaluate the bonding fracture type and bonding strength. Based on molecular dynamics (MD) simulation, cohesion and adhesion work, radial distribution function (RDF), mean square displacement (MSD), and molecule polarity were calculated to reveal the mechanism. The tensile strength ratio (TSR) of corresponding mixtures was calculated to perform mixture-level characterization. Strong correlations (-squared ) were found between BBS testing results and interaction work derived from the MD simulation (for both cohesion and adhesion behavior). In addition, the fracture type in the BBS testing can be predicted accurately by the MD simulation. BBS tests found higher cohesion strength and lower adhesion strength with the addition of Sasobit, whereas adding Evotherm and WCO resulted in lower cohesion strength and higher adhesion. The change in cohesion is explained by RDF calculations. Sasobit wax encourages the stacking of asphaltene molecules, whereas Evotherm and WCO aid in its dispersion. MD simulation also confirmed that molecule polarity plays an important role in the adhesion work (-squared ). Polar functional groups in Evotherm and WCO facilitate better asphalt–mineral adhesion. Nonpolar Sasobit weakens asphalt–mineral adhesion. MSD calculation indicated that diffusion behavior is governed by the combination of molecular mass and adhesion behavior. Molecules with larger molecular mass and stronger adhesion exhibit slower diffusion. Mixture-level evaluation (tensile strength ratio) correlated well with adhesion work (-squared = 0.822) but poorly with cohesion work (-squared = 0.667), indicating that adhesion is more important than cohesion in water-damage resistance.
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Data Availability Statement
Some or all data, models, or code that support the findings of this study are available from the corresponding author upon reasonable request.
Acknowledgments
The authors gratefully acknowledge the financial supports from the National Key R&D Program of China (2022YFB2602603), the Hong Kong Scholars Program (XJ2022040), the National Natural Science Foundation of China (52008353), and the Sichuan Youth Science and Technology Innovation Research Team (2021JDTD0023 and 2022JDTD0015).
References
AASHTO. 2015. Standard method of test for determining asphalt binder bond strength by means of the binder bond strength (BBS) test. AASHTO TP-91. Washington, DC: AASHTO.
AASHTO. 2022. Standard method of test for resistance of compacted asphalt mixtures to moisture-induced damage. AASHTO T 283. Washington, DC: AASHTO.
Aguiar-Moya, J. P., J. Salazar-Delgado, A. Baldi-Sevilla, F. Leiva-Villacorta, and L. Loria-Salazar. 2015. “Effect of aging on adhesion properties of asphalt mixtures with the use of bitumen bond strength and surface energy measurement tests.” Transp. Res. Rec. 2505 (1): 57–65. https://doi.org/10.3141/2505-08.
Alvarez, A. E., E. J. Diaz, R. A. Mejía, E. Arámbula-Mercado, and O. J. Reyes-Ortiz. 2023. “Optimizing the dose of warm-mix asphalt additives by maximizing the asphalt-aggregate adhesion measured via surface-free energy.” J. Mater. Civ. Eng. 35 (2): 04022410. https://doi.org/10.1061/(ASCE)MT.1943-5533.0004562.
Baldi-Sevilla, A., M. L. Montero, J. P. Aguiar-Moya, L. G. Loria-Salazar, and A. Bhasin. 2017. “Influence of bitumen and aggregate polarity on interfacial adhesion.” Supplement, Road Mater. Pavement Des. 18 (S2): 304–317. https://doi.org/10.1080/14680629.2017.1304265.
Bhasin, A., A. Izadi, and S. Bedgaker. 2011. “Three dimensional distribution of the mastic in asphalt composites.” Constr. Build. Mater. 25 (10): 4079–4087. https://doi.org/10.1016/j.conbuildmat.2011.04.046.
Bunte, S. W., and H. Sun. 2000. “Molecular modeling of energetic materials: The parameterization and validation of nitrate esters in the COMPASS force field.” J. Phys. Chem. B 104 (11): 2477–2489. https://doi.org/10.1021/jp991786u.
Capitão, S. D., L. G. Picado-Santos, and F. Martinho. 2012. “Pavement engineering materials: Review on the use of warm-mix asphalt.” Constr. Build. Mater. 36 (Nov): 1016–1024. https://doi.org/10.1016/j.conbuildmat.2012.06.038.
Chen, Z., J. Pei, R. Li, and F. Xiao. 2018. “Performance characteristics of asphalt materials based on molecular dynamics simulation—A review.” Constr. Build. Mater. 189 (Nov): 695–710. https://doi.org/10.1016/j.conbuildmat.2018.09.038.
Cui, S., B. R K. Blackman, A. J. Kinloch, and A. C. Taylor. 2014. “Durability of asphalt mixtures: Effect of aggregate type and adhesion promoters.” Int. J. Adhes. Adhes. 54 (Oct): 100–111. https://doi.org/10.1016/j.ijadhadh.2014.05.009.
Curtis, C. W., K. Ensley, and J. Epps. 1993. Fundamental properties of asphalt-aggregate interactions including adhesion and absorption. Washington, DC: National Research Council.
Dąbrowski, A. 2001. “Adsorption—From theory to practice.” Adv. Colloid Interface Sci. 93 (1–3): 135–224. https://doi.org/10.1016/S0001-8686(00)00082-8.
Darvishmanesh, S., J. Vanneste, E. Tocci, J. C. Jansen, F. Tasselli, J. Degrève, E. Drioli, and B. Van der Bruggen. 2011. “Physicochemical characterization of solute retention in solvent resistant nanofiltration: The effect of solute size, polarity, dipole moment, and solubility parameter.” J. Phys. Chem. B 115 (49): 14507–14517. https://doi.org/10.1021/jp207569m.
Du, Z., and X. Zhu. 2019. “Molecular dynamics simulation to investigate the adhesion and diffusion of asphalt binder on aggregate surfaces.” Transp. Res. Rec. 2673 (4): 500–512. https://doi.org/10.1177/0361198119837223.
Fischer, H. R., E. C. Dillingh, and C. G. M. Hermse. 2013. “On the interfacial interaction between bituminous binders and mineral surfaces as present in asphalt mixtures.” Appl. Surf. Sci. 265 (Jan): 495–499. https://doi.org/10.1016/j.apsusc.2012.11.034.
Gao, Y., Y. Zhang, F. Gu, T. Xu, and H. Wang. 2018. “Impact of minerals and water on bitumen-mineral adhesion and debonding behaviours using molecular dynamics simulations.” Constr. Build. Mater. 171 (May): 214–222. https://doi.org/10.1016/j.conbuildmat.2018.03.136.
Habal, A., and D. Singh. 2021. “Effects of warm mix asphalt additives on bonding potential and failure pattern of asphalt-aggregate systems using strength and energy parameters.” Int. J. Pavement Eng. 22 (4): 467–479. https://doi.org/10.1080/10298436.2019.1623399.
Hansen, J. S., C. A. Lemarchand, E. Nielsen, J. C. Dyre, and T. Schrøder. 2013. “Four-component united-atom model of bitumen.” J. Chem. Phys. 138 (9): 094508. https://doi.org/10.1063/1.4792045.
Huang, W., Y. Guo, Y. Zheng, Q. Ding, C. Sun, J. Yu, M. Zhu, and H. Yu. 2021. “Chemical and rheological characteristics of rejuvenated bitumen with typical rejuvenators.” Constr. Build. Mater. 273 (Mar): 121525. https://doi.org/10.1016/j.conbuildmat.2020.121525.
Jiang, Q., N. Li, F. Yang, Y. Ren, S. Wu, F. Wang, and J. Xie. 2021. “Rheology and volatile organic compounds characteristics of warm-mix flame retardant asphalt.” Constr. Build. Mater. 298 (Sep): 123691. https://doi.org/10.1016/j.conbuildmat.2021.123691.
Kakar, M. R., M. O. Hamzah, and J. Valentin. 2015. “A review on moisture damages of hot and warm mix asphalt and related investigations.” J. Cleaner Prod. 99 (Jul): 39–58. https://doi.org/10.1016/j.jclepro.2015.03.028.
Kassem, E., L. Garcia Cucalon, E. Masad, and D. Little. 2018. “Effect of warm mix additives on the interfacial bonding characteristics of asphalt binders.” Int. J. Pavement Eng. 19 (12): 1111–1124. https://doi.org/10.1080/10298436.2016.1240563.
Kim, H., S.-J. Lee, and S. N. Amirkhanian. 2011. “Rheology of warm mix asphalt binders with aged binders.” Constr. Build. Mater. 25 (1): 183–189. https://doi.org/10.1016/j.conbuildmat.2010.06.040.
Kim, Y., J. Zhang, and H. Ban. 2012. “Moisture damage characterization of warm-mix asphalt mixtures based on laboratory-field evaluation.” Constr. Build. Mater. 31 (Jun): 204–211. https://doi.org/10.1016/j.conbuildmat.2011.12.085.
Lee, J. G. 2016. Computational materials science: An introduction. London: CRC Press.
Li, B., Y. Wang, X. Ren, X. Teng, and X. Su. 2019. “Influence of ultraviolet aging on adhesion performance of warm mix asphalt based on the surface free energy theory.” Appl. Sci. 9 (10): 2046. https://doi.org/10.3390/app9102046.
Li, D. D., and M. L. Greenfield. 2014. “Chemical compositions of improved model asphalt systems for molecular simulations.” Fuel 115 (Jan): 347–356. https://doi.org/10.1016/j.fuel.2013.07.012.
Li, G., and Y. Tan. 2022. “The construction and application of asphalt molecular model based on the quantum chemistry calculation.” Fuel 308 (Jan): 122037. https://doi.org/10.1016/j.fuel.2021.122037.
Li, L., C. Xin, M. Guan, and M. Guo. 2021. “Using molecular dynamics simulation to analyze the feasibility of using waste cooking oil as an alternative rejuvenator for aged asphalt.” Sustainability 13 (8): 4373. https://doi.org/10.3390/su13084373.
Mannan, U. A., M. Ahmad, and R. A. Tarefder. 2017. “Influence of moisture conditioning on healing of asphalt binders.” Constr. Build. Mater. 146 (Aug): 360–369. https://doi.org/10.1016/j.conbuildmat.2017.04.087.
Martin, A. E., E. Arambula, F. Yin, L. G. Cucalon, A. Chowdhury, R. Lytton, J. Epps, C. Estakhri, and E. S. Park. 2014. Evaluation of the moisture susceptibility of WMA Technologies. Washington, DC: Transportation Research Board of the National Academies.
Moraes, R., R. Velasquez, and H. U. Bahia. 2011. “Measuring the effect of moisture on asphalt–aggregate bond with the bitumen bond strength test.” Transp. Res. Rec. 2209 (1): 70–81. https://doi.org/10.3141/2209-09.
Mukandila, E. M., W. J. V. M. Steyn, and T. I. Milne. 2017. “Modelling of cohesion and adhesion damage of seal based on dynamic shear rheometer testing.” Int. J. Pavement Eng. 19 (9): 786–797. https://doi.org/10.1080/10298436.2016.1208197.
Poulikakos, L. D., and M. N. Partl. 2010. “Investigation of porous asphalt microstructure using optical and electron microscopy.” J. Microsc. 240 (2): 145–154. https://doi.org/10.1111/j.1365-2818.2010.03388.x.
Ramezani, M. G., and J. Rickgauer. 2020. “Understanding the adhesion properties of carbon nanotube, asphalt binder, and mineral aggregates at the nanoscale: A molecular dynamics study.” Pet. Sci. Technol. 38 (1): 28–35. https://doi.org/10.1080/10916466.2019.1655446.
Rubio, M. C., G. Martínez, L. Baena, and F. Moreno. 2012. “Warm mix asphalt: An overview.” J. Cleaner Prod. 24 (Mar): 76–84. https://doi.org/10.1016/j.jclepro.2011.11.053.
Samieadel, A., D. Oldham, and E. H. Fini. 2018. “Investigating molecular conformation and packing of oxidized asphaltene molecules in presence of paraffin wax.” Fuel 220 (May): 503–512. https://doi.org/10.1016/j.fuel.2018.02.031.
Su, M., C. Si, Z. Zhang, and H. Zhang. 2020. “Molecular dynamics study on influence of Nano-ZnO/SBS on physical properties and molecular structure of asphalt binder.” Fuel 263 (Mar): 116777. https://doi.org/10.1016/j.fuel.2019.116777.
Syroezhko, A. M., M. A. Baranov, S. N. Ivanov, and N. V. Maidanova. 2011. “Influence of natural additives and those synthesized by the Fischer-Tropsch method on the properties of petroleum bitumen and quality of floated asphalt.” Coke Chem. 54 (1): 26–31. https://doi.org/10.3103/S1068364X11010066.
Tang, N., Z. Deng, J. Dai, K. Yang, C. Chen, and Q. Wang. 2018. “Geopolymer as an additive of warm mix asphalt: Preparation and properties.” J. Cleaner Prod. 192 (Aug): 906–915. https://doi.org/10.1016/j.jclepro.2018.04.276.
Wiehe, I. A., and K. S. Liang. 1996. “Asphaltenes, resins, and other petroleum macromolecules.” Fluid Phase Equilib. 117 (1–2): 201–210. https://doi.org/10.1016/0378-3812(95)02954-0.
Wu, H., P. Li, T. Nian, G. Zhang, T. He, and X. Wei. 2019. “Evaluation of asphalt and asphalt mixtures’ water stability method under multiple freeze-thaw cycles.” Constr. Build. Mater. 228 (Dec): 117089. https://doi.org/10.1016/j.conbuildmat.2019.117089.
Xu, G., and H. Wang. 2016a. “Molecular dynamics study of interfacial mechanical behavior between asphalt binder and mineral aggregate.” Constr. Build. Mater. 121 (Sep): 246–254. https://doi.org/10.1016/j.conbuildmat.2016.05.167.
Xu, G., and H. Wang. 2016b. “Study of cohesion and adhesion properties of asphalt concrete with molecular dynamics simulation.” Comput. Mater. Sci. 112 (Part A): 161–169. https://doi.org/10.1016/j.commatsci.2015.10.024.
Yu, H., Z. Leng, Z. Dong, Z. Tan, F. Guo, and J. Yan. 2018. “Workability and mechanical property characterization of asphalt rubber mixtures modified with various warm mix asphalt additives.” Constr. Build. Mater. 175 (Jun): 392–401. https://doi.org/10.1016/j.conbuildmat.2018.04.218.
Zeinoddin, H. S., S. M. Abtahi, S. M. Hejazi, S. Babamohammadi, A. Goli, and M. Amuchi. 2016. “Design and production of steel slag warm mix asphalt (SSWMA) using an amino-based resin.” Transp. Infrastruct. Geotechnol. 3 (3–4): 91–108. https://doi.org/10.1007/s40515-016-0032-4.
Zhang, L., and M. L. Greenfield. 2007a. “Molecular orientation in model asphalts using molecular simulation.” Energy Fuels 21 (2): 1102–1111. https://doi.org/10.1021/ef060449z.
Zhang, L., and M. L. Greenfield. 2007b. “Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation.” J. Chem. Phys. 127 (19): 194502. https://doi.org/10.1063/1.2799189.
Zhao, Y., M. Chen, X. Zhang, S. Wu, X. Zhou, and Q. Jiang. 2022. “Effect of chemical component characteristics of waste cooking oil on physicochemical properties of aging asphalt.” Constr. Build. Mater. 344 (Aug): 128236. https://doi.org/10.1016/j.conbuildmat.2022.128236.
Zhuravlev, L. T. 1987. “Concentration of hydroxyl groups on the surface of amorphous silicas.” Langmuir 3 (3): 316–318. https://doi.org/10.1021/la00075a004.
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Published In
Journal of Materials in Civil Engineering
Volume 35 • Issue 11 • November 2023
Copyright
© 2023 American Society of Civil Engineers.
History
Received: Sep 28, 2022
Accepted: Apr 14, 2023
Published online: Aug 31, 2023
Published in print: Nov 1, 2023
Discussion open until: Jan 31, 2024
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