Using Fundamental Material Properties to Predict the Moisture Susceptibility of the Asphalt Binder: Polarizability and a Moisture-Induced Shear-Thinning Index,ACS Applied Bio Materials

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Using Fundamental Material Properties to Predict the Moisture Susceptibility of the Asphalt Binder: Polarizability and a Moisture-Induced Shear-Thinning Index
ACS Applied Bio Materials ( IF 4.6 ) Pub Date : 2020-10-29 , DOI: 10.1021/acsabm.0c00374
Masoumeh Mousavi ₁ , Daniel Oldham ₁ , Elham H Fini ₁

Affiliation

Many biomodifiers have recently been introduced to the asphalt industry to improve the performance of asphalt mixtures, rejuvenate aged asphalt, and/or partially replace asphalt binder. It is critical to screen these biomodifiers for their susceptibility to moisture damage before they are used in construction. This study develops a computational approach and a laboratory technique to predict the moisture susceptibility of modifiers used in asphalt binder mixtures. The computational approach uses the “polarizability” factor, which is one of the conceptual descriptors in density functional theory. Polarizability is indicative of the formation of instantaneous dipoles that are oriented in the applied field. A lower polarizability indicates a lower propensity of the chemical species to interact with other species in their chemical environment. The laboratory method defines a moisture-induced shear-thinning index. Moisture-induced shear-thinning measures the loss of interfacial bonds between the asphalt binder and siliceous surfaces due to water exposure. Both proposed indicators are used to evaluate and compare biomodifiers from four sources: waste vegetable oil, swine manure, algae, and a co-liquefied blend of swine manure and algae. In a comparative study, waste vegetable oil with a high content of long-chain alkanes and fatty acids showed the highest polarizability and the highest moisture-induced shear-thinning index, indicating the highest susceptibility to moisture damage. In contrast, the chemical composition of the biomodifier produced from the co-liquefaction of swine manure and algae showed the lowest polarizability and the lowest moisture-induced shear-thinning index, indicating the highest resistance to moisture damage.

中文翻译：

使用基本材料特性预测沥青粘合剂的水分敏感性：极化率和水分诱导的剪切稀化指数

最近，许多生物改性剂已被引入沥青工业，以改善沥青混合物的性能、使老化的沥青恢复活力和/或部分替代沥青粘合剂。在将这些生物改性剂用于建筑之前，筛选这些生物改性剂对湿气损害的敏感性至关重要。本研究开发了一种计算方法和一种实验室技术来预测沥青粘合剂混合物中使用的改性剂的水分敏感性。计算方法使用“极化率”因子，这是密度泛函理论中的概念描述符之一。极化率表示在施加场中定向的瞬时偶极子的形成。较低的极化率表明化学物质与其化学环境中的其他物质相互作用的倾向较低。实验室方法定义了水分引起的剪切稀化指数。水分引起的剪切稀化测量由于水暴露导致的沥青粘合剂和硅质表面之间的界面结合的损失。这两个提议的指标都用于评估和比较来自四个来源的生物改性剂：废弃植物油、猪粪、藻类以及猪粪和藻类的共液化混合物。在一项比较研究中，具有高含量长链烷烃和脂肪酸的废植物油表现出最高的极化率和最高的水分诱导剪切稀化指数，表明对水分损害的敏感性最高。相比之下，由猪粪和藻类共液化产生的生物改性剂的化学成分显示出最低的极化率和最低的水分诱导剪切稀化指数，

更新日期：2020-11-16

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