Comparison of thermodynamic data files for PHREEQC

[Peng]

In this review, we provide some basic documentation, evaluate and compare the thermodynamic data files (TDFs) distributed along with PHREEQC, and attempt to outline the limits of their applicability. We also used the TDFs to model examples of river water, seawater, groundwater, oil-field brine, and selected mineral solubility data for some oxides, oxy-hydroxides, hydroxides, aluminosilicates, carbonates, and sulfates. These comparisons clearly demonstrate that, with the same PHREEQC computer code but a different TDF, significantly different modeling results can be produced. It is imperative that users specify which TDF they used when referring to their modeling results.

https://www.sciencedirect.com/science/article/pii/S0012825221003895