Peroxy Acids as Emerging Disinfectants for Water Treatment: Oxidation Chemistry Elucidation and Optimization

在这个由国家科学基金会化学部环境化学科学计划资助的项目中，亚特兰大佐治亚理工学院的黄庆华教授试图更好地了解过氧酸(POA)作为新兴消毒剂和氧化剂，以取代废水处理设施中的氯。尽管人们对POAs在废水处理中的兴趣与日俱增，并开始全面实施，但人们对POAs的理解落后于它们的应用。该项目的目标是全面了解POAs在水中的化学组成。这个项目有多个更广泛的影响。它与行业合作伙伴建立了积极的合作关系，评估正在进行的基于POA的流程的现场测试。这项研究通过促进代表不足的群体的参与来加强研究生和本科生的教育。新的知识和改进的基于POAS的技术通过提供安全的水处理技术、清洁的水和卫生设施以及智能水管理而造福社会。这项研究的智力贡献在于为POAs的化学及其基于自由基高级氧化过程提供新的基础知识。这样的过程可能会有效地破坏水污染物。具体研究目标包括：研究POA对有机微污染物、生物分子和具有代表性的化合物的化学氧化；表征紫外线(UV)/POA过程；研究有机微污染物和生物分子在UV/POA下的降解；评估水基质对POA和UV/POA过程的影响；建立POA和UV/POA过程的动力学模型；以及对POA和UV/POA的氧化反应进行量子化学评估。这一新知识改进了POA和UV/POA技术。

In this project funded by the Environmental Chemical Science Program in the Chemistry Division at the National Science Foundation, Professor Ching-Hua Huang of the Georgia Institute of Technology in Atlanta seeks to better understand peroxy acids (POAs) as emerging disinfectants and oxidants to replace chlorine in wastewater treatment facilities. Despite the growing interest and pilot- to full-scale implementation of POAs in wastewater treatment, the understanding POAs trails behind their applications. The objective of this project is to provide a comprehensive understanding of the chemistry of POAs in water. This project has multiple broader impacts. It establishes an active collaboration with industry partners in evaluating on-going field tests of POA-based processes. The research enhances graduate and undergraduate student education by promoting the participation of underrepresented groups. The new knowledge and improved POAs-based technology benefits society by providing in safe water treatment technology, clean water and sanitation, and smart water management. All of the applications protect human health and the ecosystem.The intellectual contribution of this study is to provide new fundamental knowledge on the chemistry of POAs and their radical-based advanced oxidation processes. Such processes may effectively destroy water pollutants. Specific research aims include: investigating the chemical oxidation of organic micropollutants, biomolecules and structurally representative compounds by POAs; characterizing the ultraviolet (UV)/POA process; investigating the degradation of organic micropollutants and biomolecules under UV/POA; assessing the water matrix effect on the POA and UV/POA processes; developing kinetic modeling for the POA and UV/POA processes; and performing quantum chemical evaluation of oxidation reactions by POAs and UV/POA. The new knowledge improves the POA and UV/POA technologies.