RUI: Controlling the Properties and Performance of Concrete Using Computer Aided Molecular Design

RUI：利用计算机辅助分子设计控制混凝土的特性和性能

• 批准号: 0928539
• 负责人: Joseph Biernacki
• 金额: $ 35.37万
• 依托单位: Tennessee Technological University
• 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: 2009-08-01 至 2013-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0928539&HistoricalAwards=false
• 关键词: RUI; Controlling; Properties; Performance; Concrete

Modern concrete is no longer portland cement, aggregate and water but may include sophisticated additives known as admixtures. These chemicals are designed to modify specific properties of the concrete including those that make it easier to place the fresh, fluid concrete, alter the hardening process and improve the resulting hardened properties. A team of researchers at Tennessee Technological University (TTU) propose to use computer-aided molecular design (CAMD) to invent new and non-intuitive admixtures for concrete. CAMD is an approach that enables the discovery of new molecules from the behavior of known substances. The team will be collaborating with colleagues from the National Institute of Standards and Technology (NIST) as well as industrial partners from W. R. Grace. Inventing new admixtures for concrete promises to improve the life cycle performance and reduce the cost of using concrete for a wide range of infrastructure applications. Since production of portland cement is responsible for about 7% of the world?s carbon dioxide emissions, anything that can be done to reduce the amount of concrete used, by extending service life for example, would benefit society and reduce the burden of green house gas emissions on the environment. The research team at TTU also recognizes that CAMD is an important and enabling technology for future scientists and plan to work with regional high school teachers to develop modules that help pre-college age students to learn about the science behind CAMD and the powerful benefits of using such tools.

现代混凝土不再是波特兰水泥，骨料和水，但可能包括复杂的添加剂称为外加剂。 这些化学品旨在改变混凝土的特定性能，包括使其更容易放置新的流体混凝土，改变硬化过程并改善所得硬化性能的那些。田纳西理工大学（TTU）的一组研究人员建议使用计算机辅助分子设计（CAMD）来发明新的和非直观的混凝土外加剂。 CAMD是一种能够从已知物质的行为中发现新分子的方法。 该团队将与美国国家标准与技术研究所（NIST）的同事以及W。R.格蕾丝 发明新的混凝土外加剂有望提高混凝土的生命周期性能，降低混凝土在各种基础设施应用中的成本。 因为波特兰水泥的产量占世界的7%左右？尽管中国的二氧化碳排放量很大，但任何可以减少混凝土用量的措施，例如延长混凝土的使用寿命，都将有利于社会，并减少绿色房屋气体排放对环境的负担。 TTU的研究团队还认识到，CAMD是未来科学家的重要技术，并计划与地区高中教师合作开发模块，帮助大学预科学生了解CAMD背后的科学以及使用这些工具的强大好处。