Datasets for manuscript "Tracking and Estimating Industrial Wastewater Transfers to Publicly Owned Treatment Works, Using an Integrative Plant-Wide Model"

The Github Repository, https://github.com/perezdavid2024/ChemTEAPOTW or https://github.com/gruizmer/ChemTEAPOTW, named after the model (ChemTEAPOTW), is publicly available and referenced in supplementary information. This GitHub repository describes the computational framework overview, software requirements, model use, model output, and disclaimer. The ChemTEAPOTW model considers industrial end-of-life (EoL) chemical transfers to a generic publicly owned treatment works (POTW) and simulates both conventional POTW processes and the fate and transport of chemicals of concern (CoC). The model is fed a generated influent profile, at a constant loading rate, listed in Table 1. The influent profile is generated using a modifiable phenomenological approach that considers wastewater flow rate contributions from households, industry, and rain infiltration that correspond to person equivalents (PE) within a catchment area, in this case 80,000 PE. Thus, the influent profile is used to initiate the set of equations that simulate conventional treatment of organics and nutrients, detailed in the supplementary information, coupled with extension equations for CoC in the form of material balance equations unique for each submodel. The list of equations and interface assumptions are included in the Github Repository (ChemTEAPOTW) as well as supplementary information. Also, the mass balance equation associated with the anaerobic digestion process encapsulates the transformation of input substances through the digester, leading to the calculation of off-gas (QOG) production (included in supplementary information). All stream volumetric flow-rates, CoC concentration values, physicochemical properties, and equipment specifications from the case study are found in the POTW_Dataset_Manuscript Case Study.xlsx file. This dataset is associated with the following publication: Perez, D., J.D. Chea, T. Abichou, R.L. Smith, and G.J. Ruiz-Mercado. Tracking chemical releases in wastewater systems: An integrated plant-wide model for publicly owned treatment works. JOURNAL OF ENVIRONMENTAL MANAGEMENT. Elsevier Science Ltd, New York, NY, USA, 393: 126862, (2025).

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  "020:00"
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[
  "https://doi.org/10.1016/j.jenvman.2025.126862"
]