Insight into the diffusion behaviors of SBS-compatibilizer-coupled modified asphalt: Molecular dynamics simulation and experimental validation

IF 3.8 4区工程技术 Q2 CHEMISTRY, APPLIED

Journal of Vinyl & Additive Technology Pub Date : 2024-06-05 DOI:10.1002/vnl.22123

Fuqiang Dong, Jinli Lu, Xin Yu, Peixing Yang, Yong Jin, Lei Wan, Yongling Ding, Haonan Chen

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引用次数: 0

Abstract

Compatibilizers play a crucial role in enhancing the compatibility between styrene–butadiene–styrene (SBS) polymer and asphalt, and the coupling of compatibilizers with SBS affects the motion behavior of asphalt molecules, which influences the performance of SBS modified asphalt. In this investigation, molecular dynamics simulation is employed to evaluate the impact of SBS coupling with compatibilizers on alterations in the self-motion behavior of asphalt molecules, changes in relative free volume, and modifications in system energy. The findings reveal that with the introduction of a compatibilizer, the combined effect of the compatibilizer and SBS coupling amplifies the mobility of the constituents within the modified asphalt. This amplification manifests as increased relative free volume within the system, heightened activation of modified asphalt molecules, and a simultaneous reduction in the interaction energy among these molecules. Following that, the high-temperature rheological properties of SBS modified asphalt were verified with the simulation results, coupled with temperature scanning experiments. This study describes the intrinsic mechanism of interaction of compatibilizers in SBS modified asphalt at the molecular scale.

Highlights

Molecular dynamics simulations and experimental validation were implemented for styrene–butadiene–styrene (SBS)-modified asphalt.
Compatibilizers can activate the activity of SBS modified asphalt.
Compatibilizers allow a better release of the properties of the bitumen and SBS.
Compatibilizers can replace bitumen and act with SBS to improve its modification efficiency.
The optimum dosage of compatibilizer is 3%.

Abstract Image

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洞察 SBS 复合沥青改性沥青的扩散行为：分子动力学模拟与实验验证

相容剂在提高苯乙烯-丁二烯-苯乙烯（SBS）聚合物与沥青的相容性方面起着至关重要的作用，相容剂与 SBS 的耦合会影响沥青分子的运动行为，从而影响 SBS 改性沥青的性能。本研究采用分子动力学模拟来评估 SBS 与相容剂耦合对沥青分子自运动行为的改变、相对自由体积的变化以及系统能量的改变所产生的影响。研究结果表明，引入相容剂后，相容剂和 SBS 耦合的共同作用会放大改性沥青中成分的流动性。这种放大作用表现为系统内相对自由体积的增加、改性沥青分子活化程度的提高以及这些分子间相互作用能量的同时降低。随后，通过模拟结果和温度扫描实验验证了 SBS 改性沥青的高温流变特性。本研究描述了相容剂在 SBS 改性沥青中分子尺度相互作用的内在机理，并对苯乙烯-丁二烯-苯乙烯（SBS）改性沥青进行了分子动力学模拟和实验验证。相容剂可以激活 SBS 改性沥青的活性，相容剂可以更好地释放沥青和 SBS 的特性，相容剂可以替代沥青并与 SBS 共同作用，提高其改性效率，相容剂的最佳用量为 3%。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Vinyl & Additive Technology 工程技术-材料科学：纺织

CiteScore

5.40

自引率

14.80%

发文量

审稿时长

>12 weeks

期刊介绍： Journal of Vinyl and Additive Technology is a peer-reviewed technical publication for new work in the fields of polymer modifiers and additives, vinyl polymers and selected review papers. Over half of all papers in JVAT are based on technology of additives and modifiers for all classes of polymers: thermoset polymers and both condensation and addition thermoplastics. Papers on vinyl technology include PVC additives.