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，以调查土壤、沉积物、地表水和地下水中多氟烷基和全氟烷基物质（PFAS）的命运、分布和动态。PFAS分子对降解具有抗性，这导致其广泛存在于环境中。 暴露于PFAS与环境和人类健康的影响，如癌症的发病，发育障碍和生殖问题。 在这个项目中，PFAS与土壤，沉积物，地表水和地下水在环境条件下的相互作用将进行调查。 这将有助于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。 有关这项研究结果的YouTube视频库将被提供，与密歇根州立大学PFAS中心的合作将进一步使研究结果向公众传播。PFAS独特的化学和物理性质使这类超过5，000个分子能够被纳入广泛的常用产品，包括消防泡沫，不粘炊具，包装，化妆品，纸张、油漆、防水服和地毯。 这项工作将利用国家的最先进的计算建模方法的目标是确定占主导地位的相互作用，管理PFAS与环境相关的粘土矿物，金属阳离子和有机物的初始吸附和随后的动态。 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性质。这种计算建模工作将产生一个数据库的物理化学性质的PFAS化合物在各种环境设置。拟议的系统评价可能会感兴趣的学科，包括环境工程，污染物修复，植物和农业科学，地球科学的研究人员工作。这项工作的洞察力有可能帮助指导未来减缓战略的设计。该奖项反映了NSF的法定使命，并被认为值得通过使用基金会的知识价值和更广泛的影响审查标准进行评估来支持。

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.