PHREEQC resources

As part of the CarbFix2 project, we developed the carbfix.dat thermodynamic database for the PHREEQC geochemical modelling software. This database is built upon the core10.dat database, which is in turn based on the llnl.dat database shipped with PHREEQC.

Current features of carbfix.dat include:

• All the data of core10.dat - thermodynamic data for a vast number of minerals and aqueous species
• 18 zeolite group minerals
• Re-calibrated solubilities of siderite and dolomite
• New data for stabilities of aqueous metal-carbonate complexes
• Data for stabilities of aqueous iron-hydroxide complexes
• Additional data for stabilities of various other aqueous species
• Some bugfixes

For a detailed description of carbfix.dat, and for citing the source when using it in your own work, please refer to:

Voigt, M., Marieni, C., Clark, D. E., Gíslason, S. R., and Oelkers, E. H. (2018) "Evaluation and refinement of thermodynamic databases for mineral carbonation" Energy Procedia 146, 81-91, doi:10.1016/j.egypro.2018.07.012

This work has been carried out within the CarbFix2 project that has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 764760.

Download on GitHub

I made a package for the Sublime Text editor which allows running PHREEQC scripts in the editor using the build command (CTRL+B). It also provides basic syntax highlighting for PHREEQC scripts and output, and parses output files so that you can use the CTRL+R command to navigate through output files.

You'll have to extract the archive into your Sublime Text packages folder, which you can find through the Preferences - Browse packages... menu command in the editor. If your PHREEQC installation is not located in c:\phreeqc\phreeqc.exe, you have to adjust the location in the phreeqc.py script.

Download