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.

在美国国家科学基金会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教授将进行计算模拟，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)的去向、分布和动态。全氟辛烷磺酸分子能抵抗降解，这导致它们广泛存在于环境中。接触全氟辛烷磺酸与环境和人类健康影响有关，如癌症的发病、发育障碍和生殖问题。在这个项目中，将研究PFAS与土壤、沉积物、地表-以及环境条件下的地下水之间的相互作用。这将帮助科学家和工程师深入了解PFAS对土壤、沉积物和水的缓解策略。关于这项研究结果的YouTube视频资料库将被提供，与密歇根州立大学PFAS中心的合作将进一步使这些发现向公众传播。PFAS的独特化学和物理特性使这种超过5000种分子能够被加入到广泛的常用产品中，包括灭火泡沫、不粘厨具、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，目标是确定主导全氟辛烷磺酸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。这项工作旨在阐明在这些自然环境中全氟辛烷磺酸的重要物理和化学性质。这项计算建模工作将产生一个关于各种环境下全氟辛烷磺酸化合物的物理化学性质的数据库。拟议的系统评估可能会引起从事环境工程、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。这项工作的洞察力有可能帮助指导未来缓解战略的设计。这一奖项反映了NSF的法定使命，并通过使用基金会的智力优势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.