journal article Aug 01, 2026

Development of a revised molecular model for asphalt oxidation and its implications for polymer compatibility

Fuel Vol. 417 pp. 138564 · Elsevier BV
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References
80
[1]
Highway Administration, F.; of Transportation, D. BUDGET ESTIMATES FISCAL YEAR 2025 FEDERAL HIGHWAY ADMINISTRATION SUBMITTED FOR THE USE OF THE COMMITTEES ON APPROPRIATIONS; 2025.
[2]
Audrey Copeland. Reclaimed Asphalt Pavement in Asphalt Mixtures: State of The Practice, FHWA-HRT-11-021; McLean, 2011.
[3]
Shao, X.; Standing, J. China to spend $767 bln on roads between 2013-2030. Reuters. https://www.reuters.com/article/markets/china-to-spend-767-bln-on-roads-between-2013-2030-idUSL3N0EW10I/ (accessed 2025-07-13).
[4]
Gallagher "Chinese overseas investment policy: implications for climate change" Glob Policy (2021) 10.1111/1758-5899.12952
[5]
Barman "China’s belt and road initiative: an analysis" J Contemp Politics (2023) 10.53989/jcp.v2i3.23.11
[6]
Villegas-Villegas "Analysis of asphalt oxidation by means of accelerated testing and environmental conditions" Transportation Research Record: Journal of the Transportation Research Board (2018) 10.1177/0361198118777630
[7]
Li "Use of accelerated natural aging to simulate long-term asphalt binder aging in pavements" Transportation Research Record: Journal of the Transportation Research Board (2023)
[8]
Zhang "Evaluation of aging evolution of olive pomace–modified asphalt binders under natural weather aging conditions" J Test Eval (2023) 10.1520/jte20230014
[9]
Chen "Effect of long-term aging on fracture properties of virgin and recycled asphalt concrete" Adv Civ Eng Mater (2019)
[10]
Gamarra "Thermo-oxidative aging of bitumen" Int J Pavement Eng (2018) 10.1080/10298436.2016.1199876
[11]
Mikhailenko "Methods for analyzing the chemical mechanisms of bitumen aging and rejuvenation with" FTIR Spectrometry (2016)
[12]
Wet and Dry Aging of Polymer-Asphalt Blends: Chemistry and Performance, Louisiana State University and Agricultural and Mechanical College, 2007. https://doi.org/10.31390/gradschool_dissertations.2747. 10.31390/gradschool_dissertations.2747
[13]
Mousavi "Multiscale investigation of oxidative aging in biomodified asphalt binder" J Phys Chem C (2016) 10.1021/acs.jpcc.6b05004
[14]
Glover, C. J.; Jung, S. H.; Knorr, D. B.; Davison, R. R.; Yonghong;Juristyarini, P. Development of a New Method for Assessing Asphalt Binder Durability with Field Validation. 2005.
[15]
Frolov "Features of colloidal disperse structure formation in petroleum bitumen" Colloid J (2016) 10.1134/s1061933x16050069
[16]
Porto "The structure of bitumen: conceptual models and experimental evidences" Materials (2022) 10.3390/ma15030905
[17]
Loeber "Bitumen in colloid science: a chemical, structural and rheological approach" Fuel (1998) 10.1016/s0016-2361(98)00054-4
[18]
Herrington "Dependence of carbonyl, sulphoxide and hydroxyl functional group formation on oxygen concentration during the oxidation of roading bitumen" Constr Build Mater (2023) 10.1016/j.conbuildmat.2023.130731
[19]
Jin "Fast-rate–constant-rate oxidation kinetics model for asphalt binders" Ind Eng Chem Res (2011) 10.1021/ie201275q
[20]
Jin, X. ASPHALT OXIDATION KINETICS AND PAVEMENT OXIDATION MODELING, Texas A&M University, 2012. https://hdl.handle.net/1969.1/ETD-TAMU-2012-05-10940 (accessed 2025-05-20).
[21]
Petersen "ASPHALT OXIDATION – AN OVERVIEW INCLUDING a NEW MODEL FOR OXIDATION PROPOSING THAT PHYSICOCHEMICAL FACTORS DOMINATE THE OXIDATION KINETICS" Fuel Sci Technol Int (1993) 10.1080/08843759308916058
[22]
Cui "Further exploration of the pavement oxidation model – diffusion-reaction balance in asphalt" Constr Build Mater (2018) 10.1016/j.conbuildmat.2017.11.095
[23]
Chang "An atomistic model of aged asphalt guided by the oxidation chemistry of benzylic carbon with application to asphalt rejuvenated with a triglyceride" Constr Build Mater (2023) 10.1016/j.conbuildmat.2023.132743
[24]
Xu "Molecular dynamics study of oxidative aging effect on asphalt binder properties" Fuel (2017) 10.1016/j.fuel.2016.10.021
[25]
Jin "Modeling asphalt oxidation in pavement with field validation" Pet Sci Technol (2013) 10.1080/10916466.2012.665115
[26]
Chowdhury "Investigation of polymer–asphalt compatibility using molecular dynamics simulation" J Phys Chem B (2024) 10.1021/acs.jpcb.4c00672
[27]
Li "Chemical compositions of improved model asphalt systems for molecular simulations" Fuel (2014) 10.1016/j.fuel.2013.07.012
[28]
Sui, Y.; Chen, Z. Application and Performance of Polyethylene Modifying Additive in Asphalt Mixture. In ICTE 2011; American Society of Civil Engineers: Reston, VA, 2011; pp 1915–1919. https://doi.org/10.1061/41184(419)316. 10.1061/41184(419)316
[29]
Prapaitrakul "A transport model of asphalt binder oxidation in pavements" Road Mater Pavement Des (2009) 10.1080/14680629.2009.9690238
[30]
Petersen "Asphalt aging: dual oxidation mechanism and its interrelationships with asphalt composition and oxidative age hardening" Transportation Research Record: Journal of the Transportation Research Board (1998) 10.3141/1638-06
[31]
Petersen "Asphalt oxidation mechanisms and the role of oxidation products on age hardening revisited" Road Mater Pavement Des (2011) 10.1080/14680629.2011.9713895
[32]
Robertson, R. E.; Branthaver, J. F.; Plancher, Henry.; Duvall, J. J.; Ensley, E. K.; Harnsberger, P. M.; Peterson, J. Chemical Properties of Asphalts and Their Relationships to Pavement Performance. In SHRP-A/UWP-91-510; Strategic Highway Research program, National Research Council: Washington, DC 20418, 1991; pp 9–13.
[33]
Liu "Investigation of asphalt oxidation kinetics aging mechanism using molecular dynamic simulation" Constr Build Mater (2023) 10.1016/j.conbuildmat.2023.131159
[34]
Liu "Molecular-based asphalt oxidation reaction mechanism and aging resistance optimization strategies based on quantum chemistry" Mater Des (2022) 10.1016/j.matdes.2022.111225
[35]
Hansen (2007)
[36]
Barca "Recent developments in the general atomic and molecular electronic structure system" J Chem Phys (2020) 10.1063/5.0005188
[37]
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands

Leela S. Dodda, Israel Cabeza de Vaca, Julian Tirado-Rives et al.

Nucleic Acids Research 2017 10.1093/nar/gkx312
[38]
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado-Rives

Journal of the American Chemical Society 1996 10.1021/ja9621760
[39]
Lu "A new test method for determination of wax content in crude oils" Residues and Bitumens Fuel (2008) 10.1016/j.fuel.2007.08.019
[40]
Gardner "The isolation of squalane from a nigerian petroleum" Geochim Cosmochim Acta (1972) 10.1016/0016-7037(72)90009-9
[41]
Roberts, F. L. K. P. S. B. E. R. L. D.-Y. K. T. W. Hot Mix Asphalt Materials, Mixture Design, and Construction, 2nd ed.; NAPA Research and Education Foundation: Lanham, Maryland, 1996.
[42]
Lira-Galeana, C.; Hammami, A. Chapter 21 Wax Precipitation from Petroleum Fluids: A Review; 2000; pp 557–608. https://doi.org/10.1016/S0376-7361(09)70292-4. 10.1016/s0376-7361(09)70292-4
[43]
Speight "The chemistry and technology of petroleum" CRC Press (2006)
[44]
Niu "Origin and geochemical implications of Hopanoids in Saline Lacustrine crude oils from Huanghekou East Sag and Laizhouwan Northeastern Sag Bohai Bay Basin" ACS Omega (2021) 10.1021/acsomega.1c02762
[45]
Al Halwachi "Systematic optimization of asphaltene molecular structure and molecular weight using the quantitative molecular representation approach" Energy Fuel (2012) 10.1021/ef300604q
[46]
Cai "Origins of palaeozoic oils in the tarim basin: evidence from sulfur isotopes and biomarkers" Chem Geol (2009) 10.1016/j.chemgeo.2009.08.012
[47]
Koopmans "Novel cyclised and aromatised diagenetic products of β-carotene in the green river shale" Org Geochem (1997) 10.1016/s0146-6380(97)00025-9
[48]
Koopmans "Impact of dia- and catagenesis on sulphur and oxygen sequestration of biomarkers as revealed by artificial maturation of an immature sedimentary rock" Org Geochem (1996) 10.1016/s0146-6380(96)00144-1
[49]
Dickie "Macrostructures of the asphaltic fractions by various instrumental methods" Anal Chem (1967) 10.1021/ac50157a057
[50]
Groenzin "Molecular size and structure of asphaltenes from various sources" Energy Fuel (2000) 10.1021/ef990225z

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Published
Aug 01, 2026
Vol/Issue
417
Pages
138564
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Funding
U.S. Department of Transportation
Federal Highway Administration Award: 693JJ320C000024
Cite This Article
Aniruddha Chowdhury, Pouria Nourian, Jason Wiley, et al. (2026). Development of a revised molecular model for asphalt oxidation and its implications for polymer compatibility. Fuel, 417, 138564. https://doi.org/10.1016/j.fuel.2026.138564
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