Collaborative Research: Integrated Experimental and Computational Studies for Understanding the Interplay of Photoreactive Materials and Persistent Contaminants

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This award is funded by the Environmental Chemical Sciences Program in the Division of Chemistry. Professors Danmeng Shuai and Hanning Chen at The George Washington University and Professor Nan Jiang at the University of Illinois at Chicago collaborate to understand the transformation of persistent organic contaminants in a natural aquatic environment. A broad range of persistent organic micropollutants, such as pharmaceuticals and personal care products (PPCPs), endocrine disrupting compounds (EDCs), and agrochemicals, have been detected in natural water. These substances are of concern because of adverse impacts to human health and ecological systems even at very low concentrations. Their removal in the natural system is therefore important. The research team uses an integrated simulation and experimental approach. They study an important yet overlooked process of contaminant transformation in the natural system that involves photochemical reactions on naturally occurring and anthropogenic materials. The project trains students in creative ways, and offers them hands-on research experience in environmental chemistry. The project also introduces students from diverse backgrounds and educational levels, particularly those from underrepresented groups, to cutting-edge scientific research.The project employs a multi-faceted approach. It includes the synthesis and characterization of photocatalysts that represent natural minerals and anthropogenic materials. It aims at a mechanistic understanding in a model system. The impact of complex water matrices on contaminant transformation is evaluated. Molecular simulations, advanced spectroscopic and microscopic characterizations, and the evaluation of reaction kinetics and pathways are conducted. This sheds light on the interactions of photocatalysts and contaminants at an atomic/molecular scale. It also elucidates the impact of complexity and heterogeneity of environmental systems for contaminant transformation.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.