Siting Chen , Lei Lu , Ya Gao , Chaoen Yin , Md Sumon Prodhan , Xinxing Zhou , Xiaorui Zhang
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引用次数: 0
摘要
湿气引起的降解是橡胶改性沥青和集料界面的固有现象，湿气通过扩散侵入会损害该界面的完整性。本研究采用分子模拟来评估橡胶改性沥青和集料界面的性能，并考虑了温度和荷载等多种影响因素。红外光谱分析验证了功能基团在受潮后发生的变化。计算了包括均方位移、界面粘附能、吸附能、回转半径、溶解度参数和分子取向在内的定量指标，以确定由湿气引起的降解区。研究结果表明，在 298 K 和 3 atm 以及 333 K 和 3 atm 条件下，受各种影响参数的影响，湿气扩散速率最大。与负载相比，温度对橡胶改性沥青集料界面的影响更大。水分和橡胶分子之间的氢键强度超过了范德华力和感应力。红外光谱显示，扩散的水分在界面内持续存在。
Effect of moisture diffusion on the properties of rubber-modified asphalt and aggregate interface considering multiple influencing factors
Moisture-induced degradation is an inherent phenomenon at the interface between rubber-modified asphalt and aggregate, moisture ingress through diffusion impairs the integrity of this interface. This study employed molecular simulation to assess the performance of the rubber-modified asphalt and aggregate interface, considering multiple influencing factors such as temperature and loading. Infrared spectroscopy served to validate the alterations in functional groups after moisture exposure. Quantitative metrics, including mean square displacement, interfacial adhesion energy, adsorption energy, radius of gyration, solubility parameter, and molecular orientation, were computed to pinpoint the moisture-induced degradation zones. The findings demonstrated that the maximum moisture diffusion rate subject to various influencing parameters occurred at 298 K and 3 atm, as well as 333 K and 3 atm. Temperature exerted a more profound influence on the rubber-modified asphalt-aggregate interface compared to loading. The strength of hydrogen bonding between moisture and rubber molecules surpassed Van der Waals forces and induction force. Infrared spectroscopy showed that the diffused moisture persisted within the interface.
期刊介绍：
ACS Applied Polymer Materials is an interdisciplinary journal publishing original research covering all aspects of engineering, chemistry, physics, and biology relevant to applications of polymers.
The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrates fundamental knowledge in the areas of materials, engineering, physics, bioscience, polymer science and chemistry into important polymer applications. The journal is specifically interested in work that addresses relationships among structure, processing, morphology, chemistry, properties, and function as well as work that provide insights into mechanisms critical to the performance of the polymer for applications.
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