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.

沥青老化是一个复杂的过程，其中沥青结合料由于温度、压力、空气和其他环境因素，通过氧化、弱键的形成/断裂（化学老化）、相似分子的排序、挥发物的蒸发（物理老化）等过程，对其结构和成分进行重要的改变。这些修改对粘合剂和混合物有显着影响吗？机械性能，例如刚度、硬度、附着力和内聚力。 了解结构修改如何以及哪些内容影响沥青结合料和混合物？机械性能仍未得到探索，很大程度上是因为这些修饰发生在原子到分子尺度上。这项研究提供了一种新方法，通过纳米级实验和先进的分子建模来理解沥青分子结构和机械行为之间的联系。在这项研究中，除了其他传统方法外，还将开发、验证并采用分子动力学模型来预测实验室中使用纳米实验确定的流变和机械性能。该项目是沥青化学和力学的整合，将整合到一个教育计划中，以提高工程教育的质量。分子动力学模拟将通过行业合作得到支持，这将加强 PI 正在进行的研究活动，并通过扩大其产品应用来使行业受益。这项研究可能会导致人们对分子尺度的老化有一个普遍的了解，这适用于广泛的建筑材料。研究与教学的一体化将通过研究生的参与、增加工程教育的多样性、向高中生进行推广、开发新课程以及广泛传播研究成果来解决。