Molecular dynamics study on influence of Nano-ZnO/SBS on physical properties and molecular structure of asphalt binder

Su, Manman; Si, Chundi; Zhang, Zengping; Zhang, Hongliang

doi:10.1016/j.fuel.2019.116777

Cited by 104 publications

(33 citation statements)

References 22 publications

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“…Thus, the structural features of asphalt binder should be long-range disordered and short-range ordered in the microscopic scale. Previous research results (Ding et al, 2015;Guo et al, 2020;Long et al, 2020;Su et al, 2020) have shown that the RDF of asphalt binder exhibits sharp oscillation peaks when r is in the range of 0e3 Å (Short-range). When r is in the range of 3e5 Å (Short-range), the amplitude of oscillation is not very obvious.…”

Section: Tablementioning

confidence: 99%

Towards an understanding of diffusion mechanism of bio-rejuvenators in aged asphalt binder through molecular dynamics simulation

Ding

Wang

et al. 2021

Journal of Cleaner Production

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Section: Tablementioning

confidence: 99%

Towards an understanding of diffusion mechanism of bio-rejuvenators in aged asphalt binder through molecular dynamics simulation

Ding

Wang

et al. 2021

Journal of Cleaner Production

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“…In terms of the bitumen morphology, the bitumen surface was captured using a scanning electron microscope (FlexSEM 1000) at a magnitude of 50 times. The oxygen content indicating the oxidation degree was obtained using an energy dispersive spectrometer (ESD) [ 29 ]. It is noted that three samples for each bitumen were tested, and the averaged value of oxygen content was finally used in this research.…”

Section: Methodsmentioning

confidence: 99%

Comparative Study of Thermal-Oxidative Aging and Salt Solution Aging on Bitumen Performance

Zhang

Hoff

2021

Materials

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The aging of bitumen is detrimental to the durability and service life of asphalt pavement. Previous studies found that bitumen was suspected to be aged by not only thermal oxidation but also solution immersion. This research aims to compare the effect of thermal-oxidative aging and salt solution aging on bitumen performance. For this purpose, a thin film oven test (TFOT) and pressure aging vessel aging (PAV) were selected as thermal-oxidative aging, and 10% NaCl aging and 10% CaCl2 aging were selected as salt solution aging. The morphology, oxygen content, physical properties, low-temperature properties, and high-temperature properties of bitumen were analysed by employing scanning electron microscopy with an energy dispersive spectrometer (SEM-EDS), physical tests, a bending beam rheometer (BBR), and a dynamic shear rheometer (DSR). Test results show that both thermal-oxidative aging and salt solution aging had similar influencing trends in the oxygen content, physical, low-temperature, and high-temperature properties of bitumen but had different changes in morphology. The aging degrees caused by four kinds of aging methods were obtained based on the summed values of the absolute aging factor of all parameters: PAV > 10% NaCl > TFOT > 10% CaCl2. The conclusions could provide a theoretical basis to establish a standard for the solution aging of bitumen.

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“…Nevertheless, the MD simulation was proved to act as a powerful tool to predict the performances of asphalt materials and reveal its modification mechanism from the nanoscale [33,34]. Some studies simulated the performance of asphalt via the MD method, which primarily involved its thermodynamic properties [35][36][37], oxidative aging [38][39][40], modification [41][42][43][44], diffusion behavior [45][46][47], and interface behavior [48][49][50]. Our previous work also studied the effect of aggregate surface irregularity and seawater erosion on interfacial adhesion properties of nano-SiO 2 modified asphalt mixtures via the MD method [51].…”

Section: Background and Introductionmentioning

confidence: 99%

Atomistic-scale investigation of self-healing mechanism in Nano-silica modified asphalt through molecular dynamics simulation

Long

Tang

Guo

et al. 2022

J Infrastruct Preserv Resil

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As one of the most widely used nanomaterials in asphalt modification, the nano-silica (nano-SiO2) can significantly improve the self-healing behavior of asphalt eco-friendly. However, understanding of the self-healing mechanism of nano-SiO2 in asphalt is still limited. The objective of the study is to reveal the self-healing mechanism of nano-SiO2 in asphalt by using molecular dynamics (MD) simulations from the nanoscale. A 10 Å (Å) vacuum pad was added between the two same stable asphalt models to represent the micro-cracks inside the asphalt. The self-healing process of virgin asphalt, oxidation aging asphalt, and nano-SiO2 modified asphalt was studied using density evolution, relative concentration, diffusion coefficient, activation energy, and pre-exponential factor. The simulation results conclude that nano-SiO2 improves the self-healing ability of asphalt by increasing the diffusion rate of molecules with aromatic structures without alkyl side chains and molecules with structures with longer alkyl chains. The self-healing capability of asphalt may be principally determined by the diffusion of light components such as saturate, while nano-SiO2 only plays an inducing role. The research findings could provide insights to understand the self-healing mechanism of nano-SiO2 in asphalt for promoting the sustainability of bitumen pavements while increasing their durability. Graphical abstract

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Molecular dynamics study on influence of Nano-ZnO/SBS on physical properties and molecular structure of asphalt binder

Cited by 104 publications

References 22 publications

Towards an understanding of diffusion mechanism of bio-rejuvenators in aged asphalt binder through molecular dynamics simulation

Towards an understanding of diffusion mechanism of bio-rejuvenators in aged asphalt binder through molecular dynamics simulation

Comparative Study of Thermal-Oxidative Aging and Salt Solution Aging on Bitumen Performance

Atomistic-scale investigation of self-healing mechanism in Nano-silica modified asphalt through molecular dynamics simulation

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