Collaborative Research: Molecular and Nanoscale Structure and Interactions of PFAS at Interfaces and Mixed Surfactant Systems

合作研究：PFAS 的分子和纳米结构以及界面和混合表面活性剂体系的相互作用

• 批准号: 2227135
• 负责人: Dmitry Bedrov
• 金额: $ 21.3万
• 依托单位: University of Utah
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-07-15 至 2026-06-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2227135&HistoricalAwards=false
• 关键词: Collaborative; Research; Molecular; Nanoscale; Structure

Per- and polyfluoroalkyl substances (PFAS), also known as “Forever Chemicals,” find a wide variety of applications because of their high chemical and thermal stability and their unique abilities to render solid surfaces non-stick, stabilize foams for firefighting, and be immiscible with both water and hydrocarbons. Released into the environment, PFAS bioaccumulate, resist degradation, and can cause adverse health effects. These factors drive initiatives to reduce future releases of PFAS and to sequester PFAS released in the past. With a goal of developing knowledge that supports improved water quality and the design of functional materials with tailored properties, this project will investigate PFAS surfactants in aqueous solutions and at water-air, water-oil, and water-solid interfaces. The project will develop fundamental knowledge on PFAS properties that can positively impact the environment (use of fluorinated surfactants more efficiently and in smaller amounts, remediation of fluorinated surfactants), health (how fluorocarbon surfactants interact with hydrocarbon surfactants and (bio)polymers), and technology (rational design of new materials and methods for sequestering PFAS, and computational evaluation of new chemical designs for potential replacements of PFAS in products). The coupling of the materials-by-design research with environmental, health, and societal impacts will be integrated into concerted efforts toward outreach and education of scientists and engineers through the engagement of undergraduate students in research and the development of new course materials.Per- and polyfluoroalkyl substances (PFAS) include fluorinated surfactants which find a wide variety of applications because of their high chemical and thermal stability and their unique ability to modify surfaces. PFAS surfactants can be extremely resistant to degradation in the environment, can bioaccumulate, and may cause adverse health effects. This project is a concerted computational and experimental effort that addresses molecular, nano-scale organization of PFAS in bulk water and at interfaces. The research is organized into three topics of study: (1) Competitive molecular interactions and self-assembly of PFAS with other molecules present in aqueous solution: mixtures of different PFAS, and mixtures of PFAS and hydrocarbon surfactants. (2) Organization and interactions between PFAS and hydrocarbon surfactants at the water-air and water-oil interfaces. Such fundamental understanding of PFAS behavior at interfaces is crucial to advance their replacement in key applications such as aqueous film-forming foams (AFFF), and to optimize PFAS sequestration methods such as foam fractionation and aeration. (3) PFAS interactions and binding to model solid surfaces that pertain to the fate of PFAS in the environment and the replacement of PFAS that are used to render surfaces non-stick. The project will generate new knowledge on interactions and self-assembly of systems containing a distribution of PFAS and hydrogenated surfactants; molecular scale insight of PFAS behavior at complex liquid-liquid, air-liquid, and liquid-solid interfaces; and advanced understanding of the role of PFAS surfactants in interfacial properties that define a wide range of technological applications. This fundamental knowledge supports improved water quality and the design of functional materials with tailored properties. The coupling of materials-by-design research with environmental, health, and societal impacts will form the basis of concerted efforts toward outreach and education of early career scientists and engineers through the engagement of undergraduate students in research and the development of new course materials.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

由于具有高的化学和热稳定性及其独特的能力，可以使固体表面不粘，因此可以稳定泡沫以进行消防，并且与水和碳音无关。释放到环境中，PFAS生物蓄积，抵抗降解，并可能造成不利的健康影响。这些因素推动了减少PFA版本并隔离过去发布的PFA的计划。该项目的目标是开发支持水质改善水质和功能材料设计的知识，该项目将调查水溶液中的PFAS表面活性剂，以及水 - 空气，水油和水溶剂界面。该项目将开发有关PFA属性的基本知识，这些知识可以积极影响环境（使用氟化）。表面活性剂效率更高，量较少，修复氟化表面活性剂），健康（氟化碳表面活性剂如何与烃表面活性剂和（BIO）聚合物相互作用）以及技术（用于隔离PFAS的新材料和方法的理性设计，用于隔离PFAS，以及对PFAS产品替代产品的新化学设计的计算评估）。通过本科生在研究方面的参与以及新的课程材料的发展，将逐步的材料（PFA）（PFAS）融合，将材料与环境，健康和社会影响与环境，健康和社会影响结合在一起，以进行科学家和工程师的教育，包括较高的化学物质和热能型的，这些材料包括较高的化学效果和热能型的能力。 PFAS表面活性剂对环境中的降解具有极大的抵抗力，可能会产生生物蓄积，并可能引起不利的健康影响。该项目是一项协同的计算和实验性工作，该项目旨在解决散装水和界面中PFA的分子，纳米级组织。该研究分为三个研究主题：（1）竞争性分子相互作用和PFA与水溶液中存在的其他分子的自组装：不同PFA的混合物，以及PFAS和碳氢化合物表面活性剂的混合物。 （2）在水 - 空气和水油界面上的PFA和碳氢化合物表面之间的组织和相互作用。对界面上PFA的行为的基本了解对于推进其在水性膜形成泡沫（AFFF）等关键应用中的替代至关重要，并优化了PFAS会话方法，例如泡沫分馏和充气。 （3）PFAS的相互作用和与模型与固体表面建模有关的固体表面，这些表面与环境中PFA的命运以及用于使表面不粘的PFA的替换。该项目将对包含PFA和氢化表面活性剂分布的系统的相互作用和自组装产生新知识； PFAS行为的分子尺度洞察力在复杂的液体液体，空气和液化界面上；以及对PFA表面活性剂在定义广泛技术应用中的界面性质中的作用的深入了解。这种基本知识支持提高水质和具有量身定制特性的功能材料的设计。通过设计材料与环境，健康和社会影响的材料结合将构成通过本科生在研究和新课程材料的发展和发展新课程材料方面的努力和教育的共同努力的基础。这项奖项反映了NSF的法定任务，并通过评估基金会的范围和广泛的影响力来评估，并具有值得的支持。