Molecular dynamics simulation of asphalt-aggregate interface adhesion strength with moisture effect

Wang, Hao; Lin, Enqiang; Xu, Guangji

doi:10.1080/10298436.2015.1095297

Cited by 136 publications

(34 citation statements)

References 31 publications

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“…The interactions between asphalt and the steel slag aggregate are important in the formation of an asphalt mixture's structure and are directly related to the strength, temperature stability, water stability, and aging speed of an asphalt mixture [1][2][3][4][5]. The interfacial strength between the asphalt and steel slag significantly affects the quality stability of steel slag-asphalt mixtures [6][7][8][9]. The phase structure, interaction, and adhesion properties of asphalt mixtures have been extensively explored using various methods such as kinetics, thermodynamics, and surface physical chemistry [10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

The Interfacial Adhesion Performance and Mechanism of a Modified Asphalt–Steel Slag Aggregate

Liu

Zhu

et al. 2020

Materials

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The interfacial adhesion between asphalt and steel slag aggregate is a decisive factor in the formation of an asphalt-steel slag mixture and significantly affects the quality stability of steel slag-asphalt mixtures. In this study, the adhesion between an asphalt and steel slag aggregate, the interfacial microstructure, the adsorption and desorption characteristics, and chemical reactions were, respectively, explored by a PosiTestAT-A adhesion puller, a scanning electron microscope, a net adsorption test, an infrared spectrometer, and a dynamic shear rheometer. The mechanism of adhesion between the asphalt and steel slag aggregate was analyzed from the perspectives of physical adsorption and chemical reactions. The results showed that different factors had different effects on the adhesion of asphalt-steel slag aggregate interface. The freeze-thaw cycle and steel slag aggregate particle size had significant effects on interfacial adhesion, while the asphalt heating temperature, water bath time, and stirring time had relatively weak effects on interfacial adhesion. Compared to a limestone aggregate, the steel slag-asphalt mixture had greater adhesion and better adhesion performance because the pits and textures on the surface of the steel slag aggregate produced a skeleton-like effect that strengthened the phase strength of the asphalt-slag aggregate interface, thereby improving the adhesion and increasing the physical adsorption between the asphalt and steel slag aggregate. In addition, due to the N-H stretching vibrations of the amines and amides, as well as SiO-H stretching vibrations, a chemical reaction occurred between the asphalt and steel slag aggregate, thus improving the adhesion performance between the asphalt and steel slag. Based on the shape of the adsorption isotherm, it was determined that the adsorption type was multi-molecular layer adsorption, indicating that the adhesion between the asphalt and steel slag mainly involved physical adsorption. the asphalt and the aggregate are mainly physical interactions. Using an adhesion test, Podoll [14] proved that the peeling of asphalt occurs at the aggregate interface. Ling [15] carried out an adhesion test with asphalt and stone and analyzed the variations of adhesion with shear rate and temperature tests. Tarrer [16] indicated that when steel slag comes into contact with asphalt, the former has good adhesion characteristics since steel slag is an alkaline aggregate, and asphalt contains acidic groups. By exploring the asphalt-filler adhesion characteristics by infrared spectroscopy, Shin [17] found that asphalt around the filler carries polar functional groups. Xu [18] studied the combustion characteristics of asphalt by combining thermogravimetry with infrared spectroscopy.Other researchers have indicated that the angularity coefficient and fractal dimension of the surface texture of a steel slag aggregate have a linear positive correlation with the phase strength of the asphalt-aggregate interface. The greater the surface roughness of the steel slag a...

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Section: Introductionmentioning

confidence: 99%

The Interfacial Adhesion Performance and Mechanism of a Modified Asphalt–Steel Slag Aggregate

Liu

Zhu

et al. 2020

Materials

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“…viscosity, relaxation time, diffusion coefficient, and dynamics) using molecular simulation. Lu and Wang [17][18], Wang et al [19], and Xu and Wang [20] performed MD simulation to evaluate the mechanical properties of the bitumen-aggregate interface. MD simulation has also been applied to investigate the oxidative aging behaviours [21][22][23], diffusion and self-healing mechanisms [24][25][26], and micromechanical properties of bitumen [27][28][29].…”

Section: Introductionmentioning

confidence: 99%

Impact of minerals and water on bitumen-mineral adhesion and debonding behaviours using molecular dynamics simulations

Gao

Zhang

et al. 2018

Construction and Building Materials

Self Cite

167

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This study aims to evaluate the effects of mineral types and water on the adhesion properties and debonding behaviours of bitumen-mineral interface systems. A molecular dynamics modelling approach was employed to simulate the interactions between minerals and bitumen with and without the presence of water. Four representative minerals (quartz, calcite, albite and microcline) were selected to build the mineral-bitumen interface systems and the mineralwater-bitumen interface systems in the molecular dynamics models. The adhesion property between minerals and bitumen was quantified by work of adhesion, defined as the energy required to separate a unit area of the bitumen-mineral interface. The debonding behaviour between minerals and bitumen is characterised by work of debonding, defined as the energy required to displace bitumen by water at the mineral-bitumen interface. The simulation results were validated by available experimental results reported in the literature. It was found that the work of adhesion and the work of debonding for the four bitumen-minerals interface systems are ranked microcline > albite > calcite > quartz at both dry and wet conditions. Moisture can reduce the adhesion between minerals and bitumen by 82%, 84%, 18% and 1% for the quartz, calcite, albite and microcline, respectively. The adhesion between minerals and bitumen is attributed to the non-bond interaction energy, in which the major component is van der Waals interaction for neutral minerals (e.g., quartz) and the electrostatic interaction for the alkali minerals (e.g., calcite, albite and microcline). The bitumen-mineral debonding is a thermodynamically favourable process with reduced total potential energy of the system. It is concluded that the bitumen-mineral adhesion and debonding behaviours strongly depends on the chemistry and mineralogical properties of the minerals. This work provides a fundamental understanding of the adhesion and debonding behaviours of the bitumen-mineral interface at the atomistic scale.

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“…Chu et al [11] employed molecular dynamics to simulate the interfacial adhesive properties between aggregates (a-quartz and calcite) and asphalts, suggesting that the surface anisotropy of the aggregates had a significant impact on the interface. Furthermore, Wang et al [30] simulated two kinds of models, of which one was the interface between quartz and asphalt, and the other was with quartz, water and asphalt. Predictably, water decreased the bonding strength dramatically.…”

Section: Introductionmentioning

confidence: 99%

Development of Interfacial Adhesive Property by Novel Anti-Stripping Composite between Acidic Aggregate and Asphalt

Zhang

Qiu

Zhao³

et al. 2020

Polymers

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Studies on control of and preventive measures against asphalt pavement moisture damage have important economic and social significance due to the multiple damage and repair of pavements, the reasons for which include the poor interfacial adhesive ability between acidic aggregates and asphalts. Anti-stripping agent is used in order to improve the poor adhesion, and decomposition temperature is regarded as being important for lots of anti-stripping products, because they always decompose and lose their abilities under the high temperature in the mixing plant before application to the pavement. A novel anti-stripping composite, montmorillonoid/Polyamide (OMMT/PAR), which possesses excellent thermal stability performance and is effective in preventing moisture damage, especially for acidic aggregates, was prepared. Moreover, the modification mechanisms and pavement properties were also investigated with reference to the composites. The results show that OMMT/PAR was prepared successfully, improving the interfacial adhesion between the acidic aggregate and the modified asphalt. Due to the nanostructure of OMMT/PAR, the thermal stability was enhanced dramatically and the interfacial adhesion properties were also improved. Furthermore, asphalts modified with OMMT/PAR and their mixtures showed excellent properties. Finally, the moisture damage process and the mechanisms by which OMMT/PAR improves the interfacial adhesion properties are explained through adhesion mechanism analyses.

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Molecular dynamics simulation of asphalt-aggregate interface adhesion strength with moisture effect

Cited by 136 publications

References 31 publications

The Interfacial Adhesion Performance and Mechanism of a Modified Asphalt–Steel Slag Aggregate

The Interfacial Adhesion Performance and Mechanism of a Modified Asphalt–Steel Slag Aggregate

Impact of minerals and water on bitumen-mineral adhesion and debonding behaviours using molecular dynamics simulations

Development of Interfacial Adhesive Property by Novel Anti-Stripping Composite between Acidic Aggregate and Asphalt

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