1. School of Transportation, Southeast University, Nanjing 211189, China 2. School of Highway, Chang’an University, Xi’an 710064, China 3. School of Transportation Science and Engineering, Harbin Institute of Technology, Harbin 150090, China
The thermodynamic property of asphalt binder is changed by the addition of crumb rubber, which in turn influences the self-healing property as well as the cohesion and adhesion within the asphalt-aggregate system. This study investigated the self-healing and interface properties of crumb rubber modified asphalt (CRMA) using thermodynamic parameters based on the molecular simulation approach. The molecular models of CRMA were built with representative structures of the virgin asphalt and the crumb rubber. The aggregate was represented by SiO2 and Al2O3 crystals. The self-healing capability was evaluated with the thermodynamic parameter wetting time, work of cohesion and diffusivity. The interface properties were evaluated by characterizing the adhesion capability, the debonding potential and the moisture susceptibility of the asphalt-aggregate interface. The self-healing capability of CRMA is found to decrease as the rubber content increases. The asphalt-Al2O3 interface with higher rubber content has stronger adhesion and moisture stability. But the influence of crumb rubber on the interfacial properties of asphalt-SiO2 interface has no statistical significance. Comparing with the interfacial properties of the asphalt-SiO2 interface, the asphalt-Al2O3 interface is found to have a stronger adhesion but a worse moisture susceptibility for its enormous thermodynamic potential for water to displace the asphalt binder.
J Zhang, S Cui, J Cai, J Pei, Y Jia. Life-cycle reliability evaluation of semi-rigid materials based on modulus degradation model. KSCE Journal of Civil Engineering, 2018, 22(6): 2043–2054 https://doi.org/10.1007/s12205-018-0646-x
2
F M Nejad, P Aghajani, A Modarres, H Firoozifar. Investigating the properties of crumb rubber modified bitumen using classic and SHRP testing methods. Construction & Building Materials, 2012, 26(1): 481–489 https://doi.org/10.1016/j.conbuildmat.2011.06.048
3
R Li, Y Dai, P Wang, C Sun, J Zhang, J Pei. Evaluation of Nano-ZnO dispersed state in bitumen with digital imaging processing techniques. Journal of Testing and Evaluation, 2017, 46(3): 20160401
D Lo Presti. Recycled Tyre Rubber Modified Bitumens for road asphalt mixtures: A literature review. Construction & Building Materials, 2013, 49: 863–881 https://doi.org/10.1016/j.conbuildmat.2013.09.007
6
F Xiao, S Yao, J Wang, J Wei, S Amirkhanian. Physical and chemical properties of plasma treated crumb rubbers and high temperature characteristics of their rubberised asphalt binders. Road Materials and Pavement Design, 2018 (in press) https://doi.org/10.1080/14680629.2018.1507922
7
R Li, Y Yu, B Zhou, Q Guo, M Li, J Pei. Harvesting energy from pavement based on piezoelectric effects: Fabrication and electric properties of piezoelectric vibrator. Journal of Renewable and Sustainable Energy, 2018, 10(5): 054701 https://doi.org/10.1063/1.5002731
8
M Abdelrahman, S Carpenter. Mechanism of interaction of asphalt cement with crumb rubber modifier. Transportation Research Record: Journal of the Transportation Research Board, 1999, 1661(1): 106–113 https://doi.org/10.3141/1661-15
9
X Shu, B Huang. Recycling of waste tire rubber in asphalt and Portland cement concrete: An overview. Construction & Building Materials, 2014, 67: 217–224 https://doi.org/10.1016/j.conbuildmat.2013.11.027
10
L Zanzotto, G Kennepohl. Development of rubber and asphalt binders by depolymerization and devulcanization of scrap tires in asphalt. Transportation Research Record: Journal of the Transportation Research Board, 1996, 1530(1): 51–58 https://doi.org/10.1177/0361198196153000107
11
M Mull, K Stuart, A Yehia. Fracture resistance characterization of chemically modified crumb rubber asphalt pavement. Journal of Materials Science, 2002, 37(3): 557–566 https://doi.org/10.1023/A:1013721708572
12
H Yu, Z Leng, Z Zhou, K Shih, F Xiao, Z Gao. Optimization of preparation procedure of liquid warm mix additive modified asphalt rubber. Journal of Cleaner Production, 2017, 141: 336–345 https://doi.org/10.1016/j.jclepro.2016.09.043
13
R Li, C Wang, P Wang, J Pei. Preparation of a novel flow improver and its viscosity-reducing effect on bitumen. Fuel, 2016, 181: 935–941 https://doi.org/10.1016/j.fuel.2016.05.028
14
S Wang, C Yuan, D Jiaxi. Crumb tire rubber and polyethylene mutually stabilized in asphalt by screw extrusion. Journal of Applied Polymer Science, 2014, 131(23): 81–86 https://doi.org/10.1002/app.41189
15
S Sultana, A Bhasin. Effect of chemical composition on rheology and mechanical properties of asphalt binder. Construction & Building Materials, 2014, 72: 293–300 https://doi.org/10.1016/j.conbuildmat.2014.09.022
16
A Bhasin, D N Little, K L Vasconcelos, E Masad. Surface free energy to identify moisture sensitivity of materials for asphalt mixes. Transportation Research Record: Journal of the Transportation Research Board, 2007, 2001(1): 37–45 https://doi.org/10.3141/2001-05
17
A E Alvarez, E Ovalles, A Epps Martin. Comparison of asphalt rubber-aggregate and polymer modified asphalt-aggregate systems in terms of surface free energy and energy indices. Construction & Building Materials, 2012, 35: 385–392 https://doi.org/10.1016/j.conbuildmat.2012.04.029
18
Y Tan, M Guo. Using surface free energy method to study the cohesion and adhesion of asphalt mastic. Construction & Building Materials, 2013, 47: 254–260 https://doi.org/10.1016/j.conbuildmat.2013.05.067
19
A Bhasin, J Howson, E Masad, D Little, R Lytton. Effect of modification processes on bond energy of asphalt binders. Transportation Research Record: Journal of the Transportation Research Board, 2007, 1998(1): 29–37 https://doi.org/10.3141/1998-04
20
D Cheng, D Little, R Lytton, J Holste. Surface energy measurement of asphalt and its application to predicting fatigue and healing in asphalt mixtures. Transportation Research Record: Journal of the Transportation Research Board, 2002, 1810(1): 44–53 https://doi.org/10.3141/1810-06
21
D Sun, G Sun, X Zhu, A Guarin, B Li, Z Dai, J Ling. A comprehensive review on self-healing of asphalt materials: Mechanism, model, characterization and enhancement. Advances in Colloid and Interface Science, 2018, 256: 65–93 https://doi.org/10.1016/j.cis.2018.05.003
22
A Bhasin, D Bommavaram, M Greenfiled. Intrinsic healing in asphalt binders—Measurement and impact of molecular morphology. In: The 6th International Conference on Maintenance and Rehabilitation of Pavements and Technological Control. Torino: Turin Polytechnic, 2009
23
J Zhang, Z Fan, D Hu, Z Hu, J Pei, W Kong. Evaluation of asphalt-aggregate interaction based on the rheological properties. International Journal of Pavement Engineering, 2018, 19(7): 586–592 https://doi.org/10.1080/10298436.2016.1199868
24
A Bhasin, D N Little, R Bommavaram, K Vasconcelos. A framework to quantify the effect of healing in bituminous materials using material properties. Road Materials and Pavement Design, 2008, 9(sup1): 219–242 https://doi.org/10.1080/14680629.2008.9690167
25
K Kanitpong, H Bahia. Relating adhesion and cohesion of asphalts to the effect of moisture on laboratory performance of asphalt mixtures. Transportation Research Record: Journal of the Transportation Research Board, 2005, 1901(1): 33–43 https://doi.org/10.1177/0361198105190100105
26
B V Kök, H Çolak. Laboratory comparison of the crumb-rubber and SBS modified bitumen and hot mix asphalt. Construction & Building Materials, 2011, 25(8): 3204–3212 https://doi.org/10.1016/j.conbuildmat.2011.03.005
27
X Qu, Q Liu, M Guo, D Wang, M Oeser. Study on the effect of aging on physical properties of asphalt binder from a microscale perspective. Construction & Building Materials, 2018, 187: 718–729 https://doi.org/10.1016/j.conbuildmat.2018.07.188
28
R Li, Q Guo, H Du, J Pei. Mechanical property and analysis of asphalt components based on molecular dynamics simulation. Journal of Chemistry, 2017, 2017: 1531632
29
Z Chen, J Pei, R Li, F Xiao. Performance characteristics of asphalt materials based on molecular dynamics simulation—A review. Construction & Building Materials, 2018, 189: 695–710 https://doi.org/10.1016/j.conbuildmat.2018.09.038
30
L Zhang, M L Greenfield. Analyzing properties of model asphalts using molecular simulation. Energy & Fuels, 2007, 21(3): 1712–1716 https://doi.org/10.1021/ef060658j
31
A Bhasin, R Bommavaram, M L Greenfield, D N Little. Use of molecular dynamics to investigate self-healing mechanisms in asphalt binders. Journal of Materials in Civil Engineering, 2011, 23(4): 485–492 https://doi.org/10.1061/(ASCE)MT.1943-5533.0000200
M Guo, Y Tan, J Wei. Using molecular dynamics simulation to study concentration distribution of asphalt binder on aggregate surface. Journal of Materials in Civil Engineering, 2018, 30(5): 04018075 https://doi.org/10.1061/(ASCE)MT.1943-5533.0002258
34
P Wang, F Zhai, Z Dong, L Wang, J Liao, G Li. Micromorphology of asphalt modified by polymer and carbon nanotubes through molecular dynamics simulation and experiments: Role of strengthened interfacial interactions. Energy & Fuels, 2018, 32(2): 1179–1187 https://doi.org/10.1021/acs.energyfuels.7b02909
35
Y Ding, B Huang, X Shu, Y Zhang, M E Woods. Use of molecular dynamics to investigate diffusion between virgin and aged asphalt binders. Fuel, 2016, 174: 267–273 https://doi.org/10.1016/j.fuel.2016.02.022
36
R Li, H Du, Z Fan, J Pei. Molecular dynamics simulation to investigate the interaction of asphaltene and oxide in aggregate. Advances in Materials Science and Engineering. 2016, 2016: 3817123
37
H Sun. COMPASS: An ab initio force-field optimized for condensed-phase applications overview with details on alkane and benzene compounds. Journal of Physical Chemistry B, 1998, 102(38): 7338–7364 https://doi.org/10.1021/jp980939v
38
A C van Duin, S Dasgupta, F Lorant, W A Goddard. ReaxFF: A reactive force field for hydrocarbons. Journal of Physical Chemistry A, 2001, 105(41): 9396–9409 https://doi.org/10.1021/jp004368u
39
T Pan, Y Lu, S Lloyd. Quantum-chemistry study of asphalt oxidative aging: An XPS-aided analysis. Industrial & Engineering Chemistry Research, 2012, 51(23): 7957–7966 https://doi.org/10.1021/ie3007215
40
S Kmiecik, D Gront, M Kolinski, L Wieteska, A E Dawid, A Kolinski. Coarse-grained protein models and their applications. Chemical Reviews, 2016, 116(14): 7898–7936 https://doi.org/10.1021/acs.chemrev.6b00163
41
S J Marrink, H J Risselada, S Yefimov, D P Tieleman, A H De Vries. The MARTINI force field: Coarse grained model for biomolecular simulations. Journal of Physical Chemistry B, 2007, 111(27): 7812–7824 https://doi.org/10.1021/jp071097f
42
B Arash, H S Park, T Rabczuk. Mechanical properties of carbon nanotube reinforced polymer nanocomposites: A coarse-grained model. Composites. Part B, Engineering, 2015, 80: 92–100 https://doi.org/10.1016/j.compositesb.2015.05.038
43
Materials Studio. Version 8.0. San Diego, CA: Biovia Inc., 2014
44
L Artok, Y Su, Y Hirose, M Hosokawa, S Murata, M Nomura. Structure and reactivity of petroleum-derived asphaltene. Energy & Fuels, 1999, 13(2): 287–296 https://doi.org/10.1021/ef980216a
45
H Yao, Q Dai, Z You. Molecular dynamics simulation of physicochemical properties of the asphalt model. Fuel, 2016, 164: 83–93 https://doi.org/10.1016/j.fuel.2015.09.045
46
R Siddique, T R Naik. Properties of concrete containing scrap-tire rubber—An overview. Waste Management, 2004, 24(6): 563–569
47
Y Tanaka. Structural characterization of natural polyisoprenes: Solve the mystery of natural rubber based on structural study. Rubber Chemistry and Technology, 2001, 74(3): 355–375 https://doi.org/10.5254/1.3547643
48
D Sun, T Lin, X Zhu, Y Tian, F Liu. Indices for self-healing performance assessments based on molecular dynamics simulation of asphalt binders. Computational Materials Science, 2016, 114: 86–93 https://doi.org/10.1016/j.commatsci.2015.12.017
49
J Read, D Whiteoak. The Shell Bitumen Handbook. Thomas Telford, 2003
50
D D Li, M L Greenfield. Chemical compositions of improved model asphalt systems for molecular simulations. Fuel, 2014, 115: 347–356 https://doi.org/10.1016/j.fuel.2013.07.012
51
D Argyris, D R Cole, A Striolo. Dynamic behavior of interfacial water at the silica surface. Journal of Physical Chemistry C, 2009, 113(45): 19591–19600 https://doi.org/10.1021/jp906150n
52
R Wool, K O’connor. A theory crack healing in polymers. Journal of Applied Physics, 1981, 52(10): 5953–5963 https://doi.org/10.1063/1.328526
53
R Schapery. Nonlinear fracture analysis of viscoelastic composite materials based on a generalized J integral theory. In: Kawata K, Akasak T, eds. Japan-U.S. Conference on Composite materials: Mechanics, mechanical properties and fabrication. Tokyo: Japan Society for Composite Materials Tokyo, 1982: 171–180
54
Y Gao, Y Zhang, F Gu, T Xu, H Wang. Impact of minerals and water on bitumen-mineral adhesion and debonding behaviours using molecular dynamics simulations. Construction & Building Materials, 2018, 171: 214–222 https://doi.org/10.1016/j.conbuildmat.2018.03.136
55
D Frenkel, B Smit. Understanding Molecular Simulation: From Algorithms to Applications. Academic Press: New York, 2002
56
Q Lv, W Huang, F Xiao. Laboratory evaluation of self-healing properties of various modified asphalt. Construction & Building Materials, 2017, 136: 192–201 https://doi.org/10.1016/j.conbuildmat.2017.01.045
