Zircon modeling - thermodynamic databases

Internally consistent datasets of equilibrium constants for minerals and aqueous species at 200 - 900 °C at 0.1 and 0.2 GPa. The databases were used to model zircon solubility in aqueous fluids and the replacement of metamict zircon by crystalline zircon using the software package "The Geochemist's Workbench" (Bethke, 2022) and the program "Phreeqc" (Parkhurst and Appelo, 2013). The *.dat files are in Phreeqc format. The *.tdat files are in GWB format. A manuscript will be submitted to "Geochemistry, Geophysics, Geosystems" in September 2024 that uses the databases and that includes the GWB scripts for the models.

References

Bethke, C. M. (2022). Geochemical and Biogeochemical Reaction Modeling (3rd ed.). Cambridge: Cambridge University Press. https://doi.org/DOI: 10.1017/9781108807005

Parkhurst, D. L., & 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. US Geological Survey Techniques and Methods, Book, 6, 497.