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基于分子动力学模拟的橡胶粉改性沥青改性及老化机理

Modification and Aging Mechanism of Crumb Rubber Modified Asphalt Based on Molecular Dynamics Simulation.

作者信息

Li Jian, He Liang

机构信息

School of Civil Engineering, Chongqing Jiaotong University, Chongqing 400074, China.

Guangxi Transport Vocational and Technical College, Nanning 530023, China.

出版信息

Materials (Basel). 2025 Jan 5;18(1):197. doi: 10.3390/ma18010197.

DOI:10.3390/ma18010197
PMID:39795841
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11722032/
Abstract

Asphalt modified with treated waste tires has good environmental protection and application value. However, the nano-modification mechanism of crumb rubber (CR) with asphalt is still unclear. This research investigates the mechanism, aging, and interfacial interaction with the aggregate of CR modification asphalt (CRMA). The base asphalt and CRMA (original and aged) and two typical aggregate models were constructed. The accuracy of the model was verified through multiple indicators. The effects of CR and aging on the physical properties (density, compatibility, and diffusion coefficient), mechanical properties, component interaction behavior, and interfacial interactions with aggregates of CRMA were systematically analyzed. The results showed that the CR reduced the diffusion coefficient of asphalt by about 31%. The CR inhibited the movement of the components of asphalt (especially saturate and aromatic), which significantly improved the mechanical properties of asphalt. The compatibility between asphalt and CR significantly deteriorated after aging. The difference in the solubility parameter was about four times that before aging. It is instructive for the regeneration of CRMA. Aging led to a decrease in the shear modulus and Young's modulus of both base asphalt and CRMA, which verified and quantified the adverse effects of aging on the mechanical properties. Comparing the two aggregates, CaCO had a greater adhesion with asphalt than SiO. The difference ranged from 22.5% to 39.9%, which quantified the difference in the adhesion properties of acid base aggregates with asphalt. This study can provide theoretical guidance for the modification and application of CRMA.

摘要

用处理后的废轮胎改性的沥青具有良好的环保性和应用价值。然而，胶粉（CR）与沥青的纳米改性机理仍不明确。本研究探讨了CR改性沥青（CRMA）的机理、老化以及与集料的界面相互作用。构建了基质沥青和CRMA（原样和老化后）以及两种典型的集料模型。通过多个指标验证了模型的准确性。系统分析了CR和老化对CRMA的物理性能（密度、相容性和扩散系数）、力学性能、组分相互作用行为以及与集料的界面相互作用的影响。结果表明，CR使沥青的扩散系数降低了约31%。CR抑制了沥青组分（尤其是饱和烃和芳烃）的运动，显著提高了沥青的力学性能。老化后沥青与CR之间的相容性显著恶化。溶解度参数的差异约为老化前的四倍。这对CRMA的再生具有指导意义。老化导致基质沥青和CRMA的剪切模量和杨氏模量均降低，验证并量化了老化对力学性能的不利影响。比较两种集料，CaCO与沥青的粘附性比SiO更大。差异范围为22.5%至39.9%，量化了酸碱集料与沥青粘附性能的差异。本研究可为CRMA的改性和应用提供理论指导。

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本文引用的文献

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Discussion on molecular dynamics (MD) simulations of the asphalt materials.关于沥青材料的分子动力学（MD）模拟的讨论。
Adv Colloid Interface Sci. 2022 Jan;299:102565. doi: 10.1016/j.cis.2021.102565. Epub 2021 Nov 29.
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Glass Transition and Molecular Mobility in Styrene-Butadiene Rubber Modified Asphalt.苯乙烯-丁二烯橡胶改性沥青中的玻璃化转变与分子流动性
J Phys Chem B. 2015 Nov 5;119(44):14261-9. doi: 10.1021/acs.jpcb.5b06191. Epub 2015 Oct 27.
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The colloidal structure of bitumen: consequences on the rheology and on the mechanisms of bitumen modification.
沥青的胶体结构：对流变学及沥青改性机理的影响
Adv Colloid Interface Sci. 2009 Jan 30;145(1-2):42-82. doi: 10.1016/j.cis.2008.08.011. Epub 2008 Sep 9.