Developing an integrated 3D-hydrodynamic and emerging contaminant model for assessing water quality in a Yangtze Estuary Reservoir

- A 3D- emerging contaminant model is built and coupled with a 3D-hydrodynamic model.
- Insights into the fate and transport of atrazine and bisphenol A (BPA) are addressed.
- The occurrence of atrazine and BPA is determined mainly by flow and biodegradation.
- The reservoir is faced with a potential risk of high atrazine concentration in winter.

An integrated 3D-hydrodynamic and emerging contaminant model was developed for better understanding of the fate and transport of emerging contaminants in Qingcaosha Reservoir. The reservoir, which supplies drinking water for nearly half of Shanghai's population, is located in Yangtze Delta. The integrated model was built by Delft3D suite, a fully integrated multidimensional modeling software. Atrazine and Bisphenol A (BPA) were selected as two representative emerging contaminants for the study in this reservoir. The hydrodynamic model was calibrated and validated against observations from 2011 to 2015 while the integrated model was calibrated against observations from 2014 to 2015 and then applied to explore the potential risk of high atrazine concentrations in the reservoir driven by agriculture activities. Our results show that the model is capable of describing the spatial and temporal patterns of water temperature, salinity and the dynamic distributions of two representative emerging contaminants (i.e. atrazine and BPA) in the reservoir. The physical and biodegradation processes in this study were found to play a crucial role in determining the fate and transport of atrazine and BPA in the reservoir. The model also provides an insight into the potential risk of emerging contaminants and possible mitigation thresholds. The integrated approach can be a very useful tool to support policy-makers in the future management of Qingcaosha Reservoir.

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