GOALI: Nanoscale Testing and Molecular Modeling of Aging in Asphalt

GOALI：沥青老化的纳米测试和分子模型

• 批准号: 0900778
• 负责人: Rafiqul Tarefder
• 金额: $ 29.77万
• 依托单位: University of New Mexico
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-04-15 至 2013-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0900778&HistoricalAwards=false
• 关键词: GOALI; Nanoscale; Testing; Molecular; Modeling

Asphalt aging is a complex process in which asphalt binders undergo important modifications of their structure and composition through processes such as oxidation, formation/breaking of weak bonds (chemical aging), ordering of similar molecules, evaporation of volatiles (physical aging) due to temperature, pressure, air, and other environmental factors. These modifications have dramatic effects on binder and mixtures? mechanical properties such as stiffness, harness, adhesion, and cohesion. Understanding how and what structural modifications affect the asphalt binder and mixtures? mechanical properties has remained unexplored, largely because these modifications occur at the atomic to molecular scales. This research offers a novel approach to understating the link between asphalt molecular structure and mechanical behavior through nanoscale experimentation and advanced molecular modeling. In this research, molecular dynamic models will be developed, validated, and employed to predict rheological and mechanical properties determined in the laboratory using nano experimentation, in addition to other traditional methods.This project is an integration of asphalt chemistry and mechanics, which will be integrated in an educational program that will improve the quality of engineering education. The molecular dynamics simulation will be supported through industry collaboration, which will strengthen the PI?s on-going research activities, and benefit the industry from broadening its product applications. This study may result in a general understanding of aging at a molecular scale, which is applicable to a wide range of construction materials. The integration of research and teaching will be addressed by involving graduate students, increasing diversity in engineering education, outreaching to high school students, development of new courses, and broad dissemination of research results.

沥青衰老是一个复杂的过程，在该过程中，沥青粘合剂通过氧化，弱键的形成/破裂（化学老化），相似分子的排序，挥发物的蒸发（物理老化）（由于温度，压力，空气，空气和其他环境因素）的结构和组成进行了重要修改。这些修饰对粘合剂和混合物产生了巨大影响？机械性能，例如刚度，线束，粘附和凝聚力。 了解如何以及哪些结构修饰会影响沥青粘合剂和混合物？机械性能仍未探索，主要是因为这些修饰发生在原子尺度至分子尺度上。这项研究提供了一种新颖的方法，可以通过纳米级实验和晚期分子建模来低估沥青分子结构与机械行为之间的联系。在这项研究中，除其他传统方法外，还将开发，验证和使用分子动态模型，以预测实验室中确定的流变学和力学性能。该项目还将整合沥青化学和力学的整合，这些项目将集成在一种教育计划中，以提高工程教育质量。分子动力学模拟将通过行业协作来支持，这将增强PI的持续研究活动，并使行业受益于扩大其产品应用。这项研究可能会导致对分子尺度上的衰老的一般了解，这适用于广泛的建筑材料。研究和教学的融合将通过参与研究生，工程教育的多样性，向高中生的宣传，新课程的发展以及对研究结果的广泛传播来解决。