Data for developing metamodels to assess the fate, transport, and bioaccumulation of organic chemicals in rivers. Chemicals have log Kow ranging from 3 to 14, and rivers have mean annual discharges ranging from 1.09 to 3240 m3/s.

Metadata Updated: November 12, 2020

This dataset was developed to demonstrate how metamodels of high resolution, process-based models that simulate the fate, transport, and bioaccumulation of organic chemicals in rivers can be developed and applied for screening level exposure assessments. Chemicals of concern are assumed to be released from point sources (e.g., wastewater treatment works) and have log n-octanol/water partition coefficients (log Kow) ranging from 3 to 14. The rivers of concern have mean annual discharges ranging from 1.09 to 3240 m3/s. Five existing USEPA models are used to generate the required databases. The Chemical Transformation Simulator (CTS) and the High Throughput Stochastic Human Exposure and Dose Simulation Model (SHEDS-HT) are used to estimate the pchem properties and loading rates of the chemicals of interest, respectively. Using these data, the dissolved and total water concentrations, and total sediment concentrations for each chemical-loading combination in the rivers of interest are simulated using the Exposure Analysis Modeling System (EXAMS). Lastly, the Kow-based Aquatic BioAccumulation Model (KABAM) and the Bioaccumulation and Aquatic System Simulator (BASS) are used to estimate BCFs of periphyton and phytoplankton and BAFs of benthic invertebrates, zooplankton, and fish in the rivers of interest. Using these BCFs and BAFs and EXAMS dissolved water concentrations, expected whole-body concentrations of exposed fish and invertebrates are calculated for each chemical-loading-river combination.

This dataset is associated with the following publication: Barber, C., K. Isaacs, and C. Stevens. Developing and applying metamodels of high resolution process-based simulations for high throughput exposure assessment of organic chemicals in riverine ecosystems. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 605606: 471-481, (2017).

Access & Use Information

Public: This dataset is intended for public access and use. License: See this page for license information.

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References

https://doi.org/10.1016/j.scitotenv.2017.06.198

Dates

Metadata Created Date November 12, 2020
Metadata Updated Date November 12, 2020

Metadata Source

Harvested from EPA ScienceHub

Additional Metadata

Resource Type Dataset
Metadata Created Date November 12, 2020
Metadata Updated Date November 12, 2020
Publisher U.S. EPA Office of Research and Development (ORD)
Unique Identifier Unknown
Maintainer
Identifier https://doi.org/10.23719/1379220
Data Last Modified 2017-09-06
Public Access Level public
Bureau Code 020:00
Schema Version https://project-open-data.cio.gov/v1.1/schema
Data Dictionary https://pasteur.epa.gov/uploads/10.23719/1379220/documents/A-4xh5_data_dictionary.xlsx
Data Dictionary Type application/vnd.openxmlformats-officedocument.spreadsheetml.sheet
Harvest Object Id f4da0fdb-0b71-44b4-b839-684317ecee8a
Harvest Source Id 04b59eaf-ae53-4066-93db-80f2ed0df446
Harvest Source Title EPA ScienceHub
License https://pasteur.epa.gov/license/sciencehub-license.html
Program Code 020:095
Publisher Hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
Related Documents https://doi.org/10.1016/j.scitotenv.2017.06.198
Source Datajson Identifier True
Source Hash f2fec787b315873078ac666e3190f4fdbf9c187d
Source Schema Version 1.1

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