PHREEQC files for geochemical simulations in the Ohio River alluvial aquifer of West Virginia

This data release includes PHREEQC files used for geochemical models in the Ohio River alluvial aquifer of West Virginia. The associated publication by McAdoo and Connock (2024) should be consulted to understand the purpose and limitations of these simulations and data. The wateq4f database (Ball and Nordstrom, 1991) was used for the PHREEQC simulation.  A report by Parkhurst and Appelo (2013) serves as the formal documentation for PHREEQC, and the software is a publicly available from the U.S. Geological Survey at https://www.usgs.gov/software/phreeqc-version-3. 

Files in this data release include:
-OhioRiverAlluviumInput.pqi: Input file used to run the simulations documented in this data release.
-OhioRiverAlluviumInput.txt: text file version of the input file used to run the simulation documented in this data release.
-OhioRiverAlluviumOutput.pqo: Output file from the simulations documented in this data release.
-OhioRiverAlluviumOutput.txt:  text file version of the output file from the simulation documented in this data release.
-OhioRiverAlluvium_site_info.csv: Comma Separated Value file containing site details regarding the water quality samples used to run the simulations documented in this data release.

References:
Ball, J.W., and Nordstrom, D.K., 1991, Users WATEQ4F—User’s manual with revised thermodynamic data base and test cases for calculating speciation of major, trace and redox elements in natural waters: U.S. Geological Survey Open-File Report 90–129, 185 p.
Parkhurst, D.L., and Appelo, C.A.J., 2013, Description of input and examples for PHREEQC version 3—A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations: U.S. Geological Survey Techniques and Methods, book 6, chap. A43, 497 p., available at http://pubs.usgs.gov/tm/06/a43/.
McAdoo, M.A., and Connock, G.T., 2024, Water-quality indicators of surface-water-influenced groundwater supplies in the Ohio River alluvial aquifer of West Virginia: U.S. Geological Survey Scientific Investigations Report 2023–5139, 42 p., available at https://doi.org/10.3133/sir20235139.