Impact of Waste Cooking Oil under Different Stages on Aged Asphalt-Mineral Interface Adhesion via Molecular Dynamics Simulations
Publication: Journal of Materials in Civil Engineering
Volume 36, Issue 3
Abstract
Waste cooking oil (WCO) was investigated as an asphalt rejuvenator and found to have good potential. The properties of the WCO itself will change with usage and the WCO under different stages may affect the bond between the asphalt and minerals. In this study, the effect of WCO under different stages on adhesion behaviors of aged asphalt-mineral interfaces was explored through molecular dynamics (MD) simulations. The results show that triglycerides and treated fatty acids with low acid value can better improve the adhesion work between aged asphalt and acidic mineral (e.g., quartz), while fatty acids with high acid value may increase the adhesion work of aged asphalt to alkaline minerals (e.g., calcite and albite). Treated free acids are less effective in improving the moisture resistance of interfaces than free acids. Considering the coupling effect, WCO under different stages mostly can have restorative effects on the adhesion sensitivity of interfaces. The results can provide a reference for the selection of aggregates for WCO application in asphalt mixtures.
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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
This study was sponsored by the projects founded by the National Natural Science Foundation of China (NSFC) under Grant Nos. 51978163 and 52208439, the Natural Science Foundation of Jiangsu Province under Grant No. BK20200468, and the Postgraduate Research & Practice Innovation Program of Jiangsu Province under Grant No. SJCX22_0063, to which the authors are very grateful. The authors also appreciate the support of the National Supercomputing Center in Shenzhen, China.
References
Abd, D. M., H. Al-Khalid, and R. Akhtar. 2018. “Novel methodology to investigate and obtain a complete blend between RAP and virgin materials.” J. Mater. Civ. Eng. 30 (5): 04018060. https://doi.org/10.1061/(ASCE)MT.1943-5533.0002230.
Ahmed, R. B., and K. Hossain. 2020. “Waste cooking oil as an asphalt rejuvenator: A state-of-the-art review.” Constr. Build. Mater. 230 (Aug): 116985. https://doi.org/10.1016/j.conbuildmat.2019.116985.
Al-Saffar, Z. H., H. Yaacob, M. K. I. Mohd Satar, R. Putra Jaya, C. R. Ismael, A. Mohamed, and K. U. Rogo. 2021. “Physical, rheological and chemical features of recycled asphalt embraced with a hybrid rejuvenating agent.” Int. J. Pavement Eng. 23 (9): 3036–3054. https://doi.org/10.1080/10298436.2021.1878517.
Aurangzeb, Q., I. L. Al-Qadi, H. Ozer, and R. Yang. 2014. “Hybrid life cycle assessment for asphalt mixtures with high RAP content.” Resour. Conserv. Recycl. 83 (Aug): 77–86. https://doi.org/10.1016/j.resconrec.2013.12.004.
Behnood, A. 2019. “Application of rejuvenators to improve the rheological and mechanical properties of asphalt binders and mixtures: A review.” J. Cleaner Prod. 231 (Feb): 171–182. https://doi.org/10.1016/j.jclepro.2019.05.209.
Bhasin, A. 2006. “Development of methods to quantify bitumen-aggregate adhesion and loss of adhesion due to water.” Doctoral dissertation, Dept. of Civil, Architectural and Environmental Engineering, Texas A&M Univ.
Bhasin, A., R. Bommavaram, M. L. Greenfield, and D. N. Little. 2011. “Use of molecular dynamics to investigate self-healing mechanisms in asphalt binders.” J. Mater. Civ. Eng. 23 (4): 485–492. https://doi.org/10.1061/(ASCE)MT.1943-5533.0000200.
Cao, Z., M. Chen, X. Han, R. Wang, J. Yu, X. Xu, and L. Xue. 2020. “Influence of characteristics of recycling agent on the early and long-term performance of regenerated SBS modified bitumen.” Constr. Build. Mater. 237 (Mar): 117631. https://doi.org/10.1016/j.conbuildmat.2019.117631.
Cavalli, M. C., M. Zaumanis, E. Mazza, M. N. Partl, and L. D. Poulikakos. 2018. “Aging effect on rheology and cracking behaviour of reclaimed binder with bio-based rejuvenators.” J. Cleaner Prod. 189 (Feb): 88–97. https://doi.org/10.1016/j.jclepro.2018.03.305.
Chen, M., B. Leng, S. Wu, and Y. Sang. 2014a. “Physical, chemical and rheological properties of waste edible vegetable oil rejuvenated asphalt binders.” Constr. Build. Mater. 66 (Aug): 286–298. https://doi.org/10.1016/j.conbuildmat.2014.05.033.
Chen, M., F. Xiao, B. Putman, B. Leng, and S. Wu. 2014b. “High temperature properties of rejuvenating recovered binder with rejuvenator, waste cooking and cotton seed oils.” Constr. Build. Mater. 59 (May): 10–16. https://doi.org/10.1016/j.conbuildmat.2014.02.032.
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.
Corbett, L. W. 1969. “Composition of asphalt based on generic fractionation, using solvent deasphaltening, elution-adsorption chromatography, and densimetric characterization.” Anal. Chem. 41 (4): 576–579. https://doi.org/10.1021/ac60273a004.
Cui, B., X. Gu, D. Hu, and Q. Dong. 2020. “A multiphysics evaluation of the rejuvenator effects on aged asphalt using molecular dynamics simulations.” J. Cleaner Prod. 259 (Jun): 120629. https://doi.org/10.1016/j.jclepro.2020.120629.
Cui, B., X. Gu, H. Wang, and D. Hu. 2021. “Numerical and experimental evaluation of adhesion properties of asphalt-aggregate interfaces using molecular dynamics simulation and atomic force microscopy.” Road Mater. Pavement Des. 23 (7): 1564–1584. https://doi.org/10.1080/14680629.2021.1910547.
Ding, Y., B. Tang, Y. Zhang, J. Wei, and X. Cao. 2015. “Molecular dynamics simulation to investigate the influence of SBS on molecular agglomeration behavior of asphalt.” J. Mater. Civ. Eng. 27 (8): C4014004. https://doi.org/10.1061/(ASCE)MT.1943-5533.0000998.
Dong, Z., Z. Liu, P. Wang, and X. Gong. 2017. “Nanostructure characterization of asphalt-aggregate interface through molecular dynamics simulation and atomic force microscopy.” Fuel 189 (Jan): 155–163. https://doi.org/10.1016/j.fuel.2016.10.077.
El-Shorbagy, A. M., S. M. El-Badawy, and A. R. Gabr. 2019. “Investigation of waste oils as rejuvenators of aged bitumen for sustainable pavement.” Constr. Build. Mater. 220 (Sep): 228–237. https://doi.org/10.1016/j.conbuildmat.2019.05.180.
Eze, C. N., D. O. Onukwuli, C. N. Ude, and A. I. Gbasouzor. 2022. “Biodiesel synthesis from waste canarium schweinfurtii oil (WCSO) catalyzed by thermal reinforced clay and its kinetics evaluation.” Cleaner Mater. 6 (Dec): 100145. https://doi.org/10.1016/j.clema.2022.100145.
Fang, Y., Z. Zhang, J. Yang, and X. Li. 2021. “Comprehensive review on the application of bio-rejuvenator in the regeneration of waste asphalt materials.” Constr. Build. Mater. 295 (Aug): 123631. https://doi.org/10.1016/j.conbuildmat.2021.123631.
Fanijo, E. O., J. T. Kolawole, A. J. Babafemi, and J. Liu. 2023. “A comprehensive review on the use of recycled concrete aggregate for pavement construction: Properties, performance, and sustainability.” Cleaner Mater. 9 (May): 100199. https://doi.org/10.1016/j.clema.2023.100199.
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.
Gao, Y., Y. Zhang, Y. Yang, J. Zhang, and F. Gu. 2019. “Molecular dynamics investigation of interfacial adhesion between oxidised bitumen and mineral surfaces.” Appl. Surf. Sci. 479 (Jun): 449–462. https://doi.org/10.1016/j.apsusc.2019.02.121.
Gong, M., J. Chen, and Y. Sun. 2023. “Multiscale finite-element analysis of damage behavior of curved ramp bridge deck pavement considering tire–bridge interaction effect.” J. Eng. Mech. 149 (3): 04023004. https://doi.org/10.1061/JENMDT.EMENG-6862.
Gong, M., and B. Jiao. 2023. “Thermodynamic properties analysis of warm-mix recycled asphalt binders using molecular dynamics simulation.” Road Mater. Pavement Des. 1–20. https://doi.org/10.1080/14680629.2023.2199883.
Guarin, A., A. Khan, A. A. Butt, B. Birgisson, and N. Kringos. 2016. “An extensive laboratory investigation of the use of bio-oil modified bitumen in road construction.” Constr. Build. Mater. 106 (May): 133–139. https://doi.org/10.1016/j.conbuildmat.2015.12.009.
Hu, D., X. Gu, L. Lei, G. Wang, and B. Cui. 2022a. “Unraveling oxidative aging behavior of asphaltenes using ab initio molecular dynamics and static density functional theory.” Constr. Build. Mater. 318 (Feb): 126032. https://doi.org/10.1016/j.conbuildmat.2021.126032.
Hu, D., X. Gu, F. Yang, Z. Zhou, W. Bo, B. Cui, and J. Pei. 2022b. “Atomic mechanisms of separation failure at the asphalt–aggregate interface and its dependence on aging and rejuvenation: Insights from molecular dynamics simulations and DFT calculations.” Appl. Surf. Sci. 598 (May): 153775. https://doi.org/10.1016/j.apsusc.2022.153775.
Jiao, B., B. Pan, and T. Che. 2022. “Evaluating impacts of desulfurization and depolymerization on thermodynamics properties of crumb rubber modified asphalt through molecular dynamics simulation.” Constr. Build. Mater. 323 (Mar): 126360. https://doi.org/10.1016/j.conbuildmat.2022.126360.
Li, D. D., and M. L. Greenfield. 2014. “Chemical compositions of improved model asphalt systems for molecular simulations.” Fuel 115 (Sep): 347–356. https://doi.org/10.1016/j.fuel.2013.07.012.
Li, J., M. Yu, X. Cui, Y. Li, and Y. Sheng. 2021. “Anti-aging performance of recycled engine oil bottom rejuvenated asphalt.” J. Build. Mater. 24 (1): 224–230.
Liu, J., B. Yu, and Q. Hong. 2020. “Molecular dynamics simulation of distribution and adhesion of asphalt components on steel slag.” Constr. Build. Mater. 255 (Sep): 119332. https://doi.org/10.1016/j.conbuildmat.2020.119332.
Lyu, L., P. Mikhailenko, Z. Piao, E. H. Fini, J. Pei, and L. D. Poulikakos. 2022. “Unraveling the modification mechanisms of waste bio-oils and crumb rubber on asphalt binder based on microscopy and chemo-rheology.” Resour. Conserv. Recycl. 185 (Oct): 106447. https://doi.org/10.1016/j.resconrec.2022.106447.
Marynowski, L., M. J. Rospondek, R. Meyer zu Reckendorf, and B. R. T. Simoneit. 2002. “Phenyldibenzofurans and phenyldibenzothiophenes in marine sedimentary rocks and hydrothermal petroleum.” Org. Geochem. 33 (7): 701–714. https://doi.org/10.1016/S0146-6380(02)00040-2.
Oldenburg, T. B. P., H. Huang, P. Donohoe, H. Willsch, and S. R. Larter. 2004. “High molecular weight aromatic nitrogen and other novel hopanoid-related compounds in crude oils.” Org. Geochem. 35 (6): 665–678. https://doi.org/10.1016/j.orggeochem.2004.02.005.
Oldham, D., A. Rajib, K. P. R. Dandamudi, Y. Liu, S. Deng, and E. H. Fini. 2021. “Transesterification of waste cooking oil to produce a sustainable rejuvenator for aged asphalt.” Resour. Conserv. Recycl. 168 (Aug): 105297. https://doi.org/10.1016/j.resconrec.2020.105297.
Ozkahraman, H. T., and E. C. Isik. 2005. “The effect of chemical and mineralogical composition of aggregates on tensile adhesion strength of tiles.” Constr. Build. Mater. 19 (4): 251–255. https://doi.org/10.1016/j.conbuildmat.2004.07.016.
Petersen, J., and P. Harnsberger. 1998. “Asphalt aging: Dual oxidation mechanism and its interrelationships with asphalt composition and oxidative age hardening.” Transp. Res. Rec. 1638 (1): 47–55. https://doi.org/10.3141/1638-06.
Petersen, J. C. 2009. A review of the fundamentals of asphalt oxidation: Chemical, physicochemical, physical property, and durability relationships. Washington, DC: Transportation Research Board.
Pradhan, S. K., and U. C. Sahoo. 2020. “Effectiveness of Pongamia pinnata oil as rejuvenator for higher utilization of reclaimed asphalt (RAP) material.” Innovative Infrastruct. Solutions 5 (3): 1–4. https://doi.org/10.1007/s41062-020-00343-6.
Praticò, F. G., R. Vaiana, and T. Iuele. 2015. “Permeable wearing courses from recycling reclaimed asphalt pavement for low-volume roads: Optimization procedures.” Transp. Res. Rec. 2474 (1): 65–72. https://doi.org/10.3141/2474-08.
Quddus, M. A. A. R., O. J. Rojas, and M. A. Pasquinelli. 2014. “Molecular dynamics simulations of the adhesion of a thin annealed film of oleic acid onto crystalline cellulose.” Biomacromolecules 15 (4): 1476–1483. https://doi.org/10.1021/bm500088c.
Uchegbulam, I., E. O. Momoh, and S. A. Agan. 2022. “Potentials of palm kernel shell derivatives: A critical review on waste recovery for environmental sustainability.” Cleaner Mater. 6 (Jun): 100154. https://doi.org/10.1016/j.clema.2022.100154.
Wang, H., Z. Ma, X. Chen, and M. R. M. Hasan. 2020. “Preparation process of bio-oil and bio-asphalt, their performance, and the application of bio-asphalt: A comprehensive review.” J. Traffic Transp. Eng. 7 (2): 137–151. https://doi.org/10.1016/j.jtte.2020.03.002.
Xu, G., and H. Wang. 2017. “Molecular dynamics study of oxidative aging effect on asphalt binder properties.” Fuel 188 (Mar): 1–10. https://doi.org/10.1016/j.fuel.2016.10.021.
Yan, K., Y. Peng, and L. You. 2020. “Use of tung oil as a rejuvenating agent in aged asphalt: Laboratory evaluations.” Constr. Build. Mater. 239 (Apr): 117783. https://doi.org/10.1016/j.conbuildmat.2019.117783.
Yan, S., Q. Dong, X. Chen, X. Zhao, and X. Wang. 2022a. “Performance evaluation of waste cooking oil at different stages and rejuvenation effect of aged asphalt through molecular dynamics simulations and density functional theory calculations.” Constr. Build. Mater. 350 (Oct): 128853. https://doi.org/10.1016/j.conbuildmat.2022.128853.
Yan, S., Q. Dong, X. Chen, C. Zhou, S. Dong, and X. Gu. 2022b. “Application of waste oil in asphalt rejuvenation and modification: A comprehensive review.” Constr. Build. Mater. 340 (Oct): 127784. https://doi.org/10.1016/j.conbuildmat.2022.127784.
Yan, S., C. Zhou, and J. Ouyang. 2022c. “Rejuvenation effect of waste cooking oil on the adhesion characteristics of aged asphalt to aggregates.” Constr. Build. Mater. 327 (Jun): 126907. https://doi.org/10.1016/j.conbuildmat.2022.126907.
Yan, S., C. Zhou, and Y. Sun. 2022d. “Evaluation of rejuvenated aged-asphalt binder by waste-cooking oil with secondary aging considered.” J. Mater. Civ. Eng. 34 (8): 04022157. https://doi.org/10.1061/(ASCE)MT.1943-5533.0004306.
Yan, S., C. Zhou, J. Zhang, and G. Li. 2022e. “Molecular dynamics simulation on the rejuvenation effects of waste cooking oil on aged asphalt binder.” J. Traffic Transp. Eng. 9 (5): 795–807. https://doi.org/10.1016/j.jtte.2021.02.008.
Yin, Y., H. Chen, D. Kuang, L. Song, and L. Wang. 2017. “Effect of chemical composition of aggregate on interfacial adhesion property between aggregate and asphalt.” Constr. Build. Mater. 146 (Sep): 231–237. https://doi.org/10.1016/j.conbuildmat.2017.04.061.
Zargar, M., E. Ahmadinia, H. Asli, and M. R. Karim. 2012. “Investigation of the possibility of using waste cooking oil as a rejuvenating agent for aged bitumen.” J. Hazard, Mater. 233–234 (Jun): 254–258. https://doi.org/10.1016/j.jhazmat.2012.06.021.
Zaumanis, M., R. B. Mallick, and R. Frank. 2014a. “Evaluation of different recycling agents for restoring aged asphalt binder and performance of 100% recycled asphalt.” Mater. Struct. 48 (8): 2475–2488. https://doi.org/10.1617/s11527-014-0332-5.
Zaumanis, M., R. B. Mallick, L. Poulikakos, and R. Frank. 2014b. “Influence of six rejuvenators on the performance properties of reclaimed asphalt pavement (RAP) binder and 100% recycled asphalt mixtures.” Constr. Build. Mater. 71 (May): 538–550. https://doi.org/10.1016/j.conbuildmat.2014.08.073.
Zhang, D., M. Chen, S. Wu, J. Liu, and S. Amirkhanian. 2017. “Analysis of the relationships between waste cooking oil qualities and rejuvenated asphalt properties.” Materials (Basel) 10 (5): 508. https://doi.org/10.3390/ma10050508.
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Journal of Materials in Civil Engineering
Volume 36 • Issue 3 • March 2024
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© 2023 American Society of Civil Engineers.
History
Received: Jun 19, 2023
Accepted: Aug 31, 2023
Published online: Dec 29, 2023
Published in print: Mar 1, 2024
Discussion open until: May 29, 2024
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