Materials and Structures

, Volume 49, Issue 1–2, pp 241–247 | Cite as

Molecular simulations and experimental evaluation on the curing of epoxy bitumen

  • Xinxing Zhou
  • Shaopeng Wu
  • Gang Liu
  • Pan Pan
Original Article


To more fundamentally understand the curing process of the epoxy modified bitumen (EMB), this study used the molecular dynamics simulation and the first principles to investigate the molecular movement and the structural change during the curing. The Fourier transform infrared spectroscopy, fluoroscopes microscopy and dynamic shear rheometer were used to characterize the chemical, structural and rheological properties. The simulation and experimental results indicated that: the diffusion speeds decreased in order of aromatics, saturates, epoxy and asphaltenes in the EMB at a typical curing temperature of 120 °C; during the curing process, epoxy can easily move to aromatics and saturates; according to first principle, the covalent binding between epoxy and bitumen formed during the curing process, and calculated bond-length was very close to the experimental value; the curing efficiency decreased with the increase of the epoxy resin content; a clear network structure at a high content of 20 wt% epoxy resin can be clearly observed; the epoxy modification can improve the high-temperature deformation resistance.


Epoxy Bitumen Curing Molecular dynamics simulation First principle 



The authors are grateful for the financial supports from the National Key Scientific Apparatus Development Program (No. 2013YQ160501) and National Project of Scientific and Technical Supporting Program (No. 2011BAE28B03) of the Ministry of Science and Technology of China, and National Basic Research Program of China (973 Program No. 2014CB932104).


  1. 1.
    Abd El Rahman AMM, EL-Shafie AM, El Kholy SA (2012) Modification of local asphalt with epoxy resin to be used in pavement. Egypt J Pet 21(2):139–147CrossRefGoogle Scholar
  2. 2.
    Bhasin A, Bommavaram R, Greenfield ML, Little DN (2011) Use of molecular dynamics to investigate self-healing mechanisms in asphalt binders. J Mater Civ Eng 23:485–492. doi:  10.1061/(ASCE)MT.1943-5533. 0000200
  3. 3.
    Chen LL, Qian ZD, Hu HZ (2013) Epoxy asphalt concrete protective course used on steel railway bridge. Constr Build Mater 41:125–130. doi: 10.1016/j.conbuildmat.2012.12.002 CrossRefGoogle Scholar
  4. 4.
    Cong YF, Liao KJ, Zhai YC (2005) Application of molecular simulation for study of SBS modified asphalt. J Chem Ind Eng 56:769–774Google Scholar
  5. 5.
    Cubuk M, Gürü M, Çubuk MK (2009) Improvement of bitumen performance with epoxy resin. Fuel 88(7):1324–1328. doi: 10.1016/j.fuel.2008.12.024 CrossRefGoogle Scholar
  6. 6.
    Groenzin HG, Mullins OC (2000) Molecular size and structure of asphaltenes from various sources. Energy Fuels 14(2):677–684. doi: 10.1021/ef990225z CrossRefGoogle Scholar
  7. 7.
    Greenfield ML, Zhang LQ (2009) Final report-developing model asphalt systems using molecular simulation. University of Rhode Island, University of Rhode Island Transportation Center, Report 3–6:47–85Google Scholar
  8. 8.
    Huang M, Wang ZL, Huang WD (2009) Epoxy asphalt solidification effect research. J China Foreign Highw 29(2):225–227Google Scholar
  9. 9.
    Li DD, Greenfield ML (2014) Chemical compositions of improved model asphalt systems for molecular simulations. Fuel 115:347–356. doi: 10.1016/j.fuel.2013.07.012
  10. 10.
    Mohr PJ, Taylor BN (2000) The CRC handbook of chemistry and physics. CRC Press, Inc., 2000 Corporate Blvd. N. W, Boca RatonGoogle Scholar
  11. 11.
    Pan TY (2012) A first-principles based chemophysical environment for studying lignins as an asphalt antioxidant. Constr Build Mater 36:654–664CrossRefGoogle Scholar
  12. 12.
    Pan T, Lu YY, Lloyd S (2012) Quantum-chemistry study of asphalt oxidative aging: an XPS-aided analysis. Ind Eng Chem Res 51:7957–7966. doi: 10.1021/ie3007215 CrossRefGoogle Scholar
  13. 13.
    Qian Z, Chen C, Jiang CL, Smit ADF (2013) Development of a lightweight epoxy asphalt mixture for bridge decks. Constr Build Mater 48:516–520. doi: 10.1016/j.conbuildmat.2013.06.096 CrossRefGoogle Scholar
  14. 14.
    Tarefder RA, Arisa I (2011) Molecular dynamic simulations for determining change in thermodynamic properties of asphaltene and resin because of aging. Energy Fuels 25:2211–2222Google Scholar
  15. 15.
    Wang Y, Ye JF, Liu YH, Qiang XH, Feng LB (2013) Influence of freeze-thaw cycles on properties of asphalt-modified epoxy repair materials. Constr Build Mater 41:580–585. doi: 10.1016/j.conbuildmat.2012.12.056 CrossRefGoogle Scholar
  16. 16.
    Wang YL, Liu QW, Yang H, Cheng S (2005) The study on the curing reaction mechanism of epoxy asphalt by FT-IR. Polym Mater Sci Eng 21(3):93–95Google Scholar
  17. 17.
    Xiao Y, Van De Ven M, Molenaar AAA, Wu SP (2010) Environmental concern of using coal tar in road engineering and its possible alternatives. J Wuhan Univ Technol 32(17):1–7Google Scholar
  18. 18.
    Xiao Y (2010) Literature review on possible alternatives to tar for antiskid layers. Delft University of Technology, Road and Railway engineering section, Report 7–10:185. uuid:3e25dae3-1ab1-480c-be14-9d371a3e1945Google Scholar
  19. 19.
    Yao B, Cheng G, Wang X, Cheng C, Liu SY (2013) Linear viscoelastic behaviour of thermosetting epoxy asphalt concrete-experiments and modeling. Constr Build Mater 48:540–547. doi: 10.1016/j.conbuildmat.2013.07.066 CrossRefGoogle Scholar
  20. 20.
    Yuan DQ (2006) Study on epoxy modified bitumen and mixtures. Southeast University, NanjingGoogle Scholar
  21. 21.
    Zhang LQ, Greenfield ML (2007) Analyzing properties of model asphalts using molecular simulation. Energy Fuels 21:1712–1716CrossRefGoogle Scholar
  22. 22.
    Zhang LQ, Greenfield ML (2008) Effects of polymer modification on properties and microstructure of model asphalt systems. Energy Fuels 22:3363–3375CrossRefGoogle Scholar

Copyright information

© RILEM 2014

Authors and Affiliations

  1. 1.State Key Laboratory of Silicate Materials for ArchitecturesWuhan University of TechnologyWuhanChina

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