Diffusion and reinforcement mechanism study of the effect of styrene/butadiene ratio on the high-temperature property of asphalt using molecular dynamics simulation

Han, Sen; Xue, Xue; Yu, Caihua; Wang, Yan; Hu, Kui; Chen-Hao, Liu

doi:10.1080/08927022.2021.2009477

Cited by 9 publications

(1 citation statement)

References 21 publications

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“…The molecular dynamics (MD) simulation technique is one of the effective methods to study the microstructure and properties of polymer and asphalt materials. Han et al studied the effect of the S/B ratio on the interaction between SBS modifier and asphalt using binding energy and diffusion coefficient as indicators, and the results showed that the larger the S/B ratio, the worse the resistance to deformation of the modified asphalt [ 13 ]. Guo et al used solubility parameters and binding energy of rubber-modified asphalt as indicators to study the effect of rubber admixtures and type on the compatibility of modified asphalt [ 14 ].…”

Section: Introductionmentioning

confidence: 99%

Multi-Scale Characterization of High-Temperature Properties and Thermal Storage Stability Performance of Discarded-Mask-Modified Asphalt

Hui

Yang

et al. 2022

Materials

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In the context of the global pandemic of COVID-19, the use and disposal of medical masks have created a series of ethical and environmental issues. The purpose of this paper is to study and evaluate the high temperature properties and thermal storage stability of discarded-mask (DM)-modified asphalt from a multi-scale perspective using molecular dynamics (MD) simulation and experimental methods. A series of tests was conducted to evaluate the physical, rheological, thermal storage stability and microscopic properties of the samples. These tests include softening point, rotational viscosity, dynamic shear rheology (DSR), Fourier transform infrared (FT-IR) spectroscopy and molecular dynamics simulation. The results showed that the DM modifier could improve the softening point, rotational viscosity and rutting factor of the asphalt. After thermal storage, the DM-modified asphalt produced segregation. The difference in the softening point between the top and bottom of the sample increased from 2.2 °C to 17.1 °C when the DM modifier admixture was increased from 1% to 4%. FT-IR test results showed that the main component of the DM modifier was polypropylene, and the DM-modified asphalt was mainly a physical co-blending process. MD simulation results show that the DM modifier can increase the cohesive energy density (CED) and reduce the fractional free volume (FFV) of asphalt and reduce the binding energy between base asphalt and DM modifier. Multi-scale characterization reveals that DM modifiers can improve the high temperature performance and reduce the thermal storage stability of asphalt. It is noteworthy that both macroscopic tests and microscopic simulations show that 1% is an acceptable dosage level.

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Section: Introductionmentioning

confidence: 99%