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Simulating changes in the distribution of ammonium and ammonia versus physical and chemical conditions using PHREEQC with applications to toxicity to fish

Dates

Publication Date
Start Date
2015-06-17
End Date
2015-06-21

Citation

Kent, D.B., 2023, Simulating changes in the distribution of ammonium and ammonia versus physical and chemical conditions using PHREEQC with applications to toxicity to fish: U.S. Geological Survey data release, https://doi.org/10.5066/P9JW9IU4.

Summary

Two sets of PHREEQC input and output files are provided that illustrate the distribution of aqueous ammonium and ammonia as a function of physical (temperature) and chemical (pH and solution composition) conditions. One set of simulations calculates the distribution of aqueous ammonia and aqueous ammonium over a range of temperatures and pH values in different solution compositions. The other set of simulations illustrates how aqueous ammonia concentrations in a water body change over time owing to changes in pH and temperature, how ammonia concentrations potentially toxic to salmonids (trout and salmon) can occur owing to changes in pH and temperature, and how these changes in ammonia concentration can be calculated from "continuous" [...]

Contacts

Point of Contact :
Douglas B Kent
Originator :
Douglas B Kent
Metadata Contact :
Douglas B Kent
Publisher :
U.S. Geological Survey
Distributor :
U.S. Geological Survey - ScienceBase
SDC Data Owner :
Earth System Processes Division
USGS Mission Area :
Water Resources

Attached Files

Click on title to download individual files attached to this item.

Top-level_read_me_Ammonium_Speciation_computation_files.txt 6.57 KB text/plain
Read-me_Ammonia_Speciation_vs_pH_temperature.txt 6.61 KB text/plain
Input_synthetic_moderately_hard_water.txt 31.59 KB text/plain
Input_synthetic_very_hard_water.txt 31.63 KB text/plain
Input_synthetic_very_soft_water.txt 31.64 KB text/plain
Output_Synthetic_Moderately_Hard_Water.pqo.txt 1.25 MB text/plain
Output_synthetic_very_hard_water.pqo.txt 1.25 MB text/plain
Output_Synthetic_very_soft_water.pqo.txt 1.25 MB text/plain
Output_Synthetic_Moderately_Hard_Water.sel.txt 114.11 KB text/plain
Output_Synthetic_Very_Hard_Water.sel.txt 77.58 KB text/plain
Output_Synthetic_Very_Soft_Water.sel.txt 78.57 KB text/plain
Ammonium_speciation_pH_temperature_model_archive.xlsx 693.64 KB application/vnd.openxmlformats-officedocument.spreadsheetml.sheet
Read-me_Compare_ammonia_concentrations_to_EPA_Acute_CMC.txt 8.14 KB text/plain
Input_Ammonia_Acute_CMC.pqi.txt 41.5 KB text/plain
Input_Ammonia_Blacktail_Creek_Measurements.pqi.txt 32.84 KB text/plain
Output_Acute_CMC_pqo.txt 2.88 MB text/plain
Output_Ammonia_Blacktail_Creek_Measurements.pqo.txt 2.93 MB text/plain
Output_Ammonia_Blacktail_Creek_Measurements.sel.txt 197.56 KB text/plain
Selected_Output_Ammonia_Acute_CMC.txt 96.88 KB text/plain
Ammonia_concentrations_Acute_CMC_Sonde_pH_T_model_archive.xlsx 569.73 KB application/vnd.openxmlformats-officedocument.spreadsheetml.sheet

Purpose

This data release provides all of the input and output files needed to reproduce the model data used to construct figures in Edwards and others (in review), that illustrate changes in relative concentrations of aqueous ammonia and ammonium with chemical conditions. One of figures illustrates the fraction of total dissolved ammonium present as ammonia and ammonium over a range of pH values, temperatures, and solution compositions. The other figure compares the ammonia and total dissolved ammonium concentrations toxic to fish to the ammonia and total dissolved ammonium concentrations calculated for a set of measurements made during a four-day, in-situ, fish incubation experiment. Reference: Edwards, Thea M., Puglis, Holly J., Kent, Douglas B., López Durán, Jonathan, Bradshaw, Lillie, Farag, Aïda M., Ammonia and Aquatic Ecosystems – A Review of Global Sources, Biogeochemical Cycling, and Effects on Fish, Science for the Total Environment, in review.

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Communities

  • USGS Data Release Products

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Additional Information

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DOI https://www.sciencebase.gov/vocab/category/item/identifier doi:10.5066/P9JW9IU4

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