Molecular-level Insight into PFAS Adsorption and Dynamics in the Environment

对环境中 PFAS 吸附和动力学的分子水平洞察

• 批准号: 2107155
• 负责人: Angela Wilson
• 金额: $ 45.41万
• 依托单位: Michigan State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-08-01 至 2024-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2107155&HistoricalAwards=false
• 关键词: Molecular; level; Insight; into; PFAS

WIth support from the Environmental Chemical Sciences Program of the NSF Division of Chemistry, Professor Angela Wilson at Michigan State University (MSU) will conduct computational modeling to investigate the fate, distribution, and dynamics of poly- and per-fluoroalkyl substances (PFAS) in soils, sediments, and surface and groundwaters. PFAS molecules are resistant to degradation which leads to their widespread presence in the environment. Exposure to PFAS’s has been linked to environmental and human health impacts such as the onset of cancer, developmental disorders, and reproductive issues. In this project, PFAS interactions with surfaces within soil, sediments, and surface- and groundwater under environmental conditions will be investigated. This will help scientists and engineers gain insight about PFAS mitigation strategies for soil, sediment, and water. A library of YouTube videos about the findings from this research will be made available, and collaboration with the MSU PFAS Center will further enable dissemination of the findings to the public.The unique chemical and physical properties of PFAS have enabled this class of over 5,000 molecules to be incorporated into a wide range of commonly used products including fire-fighting foams, non-stick cookware, packaging, cosmetics, papers, paints, waterproof clothing, and carpets. This work will utilize state-of-the-art computational modeling methods with the goal of identifying the dominant interactions that govern the initial adsorption and subsequent dynamics of PFAS with environmentally relevant clay minerals, metal cations, and organic matter. This work aims to illuminate the important physical and chemical properties of PFAS in these natural settings. This computational modeling effort will produce a database of physico-chemical properties of PFAS compounds in various environment settings. The proposed systematic evaluation will likely be of interest to researchers working in disciplines including environmental engineering, contaminant remediation, plant and agricultural sciences, and earth sciences. The insight from this effort has the potential to help guide the design of future mitigation strategies.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.

在 NSF 化学部环境化学科学项目的支持下，密歇根州立大学 (MSU) 的 Angela Wilson 教授将进行计算建模，以研究土壤、沉积物、地表水和地下水中多氟烷基物质和全氟烷基物质 (PFAS) 的归宿、分布和动态。 PFAS 分子不易降解，因此在环境中广泛存在。 接触 PFAS 与环境和人类健康影响有关，例如癌症的发生、发育障碍和生殖问题。 在该项目中，将研究环境条件下 PFAS 与土壤表面、沉积物以及地表水和地下水的相互作用。 这将帮助科学家和工程师深入了解土壤、沉积物和水的 PFAS 缓解策略。 将提供有关这项研究结果的 YouTube 视频库，并且与密歇根州立大学 PFAS 中心的合作将进一步向公众传播研究结果。PFAS 独特的化学和物理特性使此类 5,000 多种分子能够被纳入各种常用产品中，包括消防泡沫、不粘炊具、包装、化妆品、纸张、油漆、防水服装、 和地毯。 这项工作将利用最先进的计算建模方法，旨在确定控制 PFAS 与环境相关粘土矿物、金属阳离子和有机物的初始吸附和后续动力学的主要相互作用。 这项工作旨在阐明 PFAS 在这些自然环境中的重要物理和化学特性。这项计算建模工作将生成一个 PFAS 化合物在各种环境设置下的物理化学特性的数据库。拟议的系统评估可能会引起环境工程、污染物修复、植物和农业科学以及地球科学等学科的研究人员的兴趣。这项工作的见解有可能帮助指导未来缓解策略的设计。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Influence of Soil Minerals on the Adsorption, Structure, and Dynamics of GenX

• DOI: 10.1021/acsestwater.3c00171
• 发表时间: 2023-07
• 期刊: ACS ES&T Water
• 作者: Christina E. Schumm;Narasimhan Loganathan;A. Wilson

Adsorption, Structure, and Dynamics of Short- and Long-Chain PFAS Molecules in Kaolinite: Molecular-Level Insights

• DOI: 10.1021/acs.est.2c01054
• 发表时间: 2022-06-21
• 期刊: ENVIRONMENTAL SCIENCE & TECHNOLOGY
• 影响因子: 11.4
• 作者: Loganathan, Narasimhan;Wilson, Angela K.
• 通讯作者: Wilson, Angela K.