As a part of the CarbFix2 project funded by the European Union, the CarbFix team has created an improved database describing the thermodynamics of fluid-rock interaction during carbon-capture and storage efforts. The database is formatted for the PHREEQC geochemical modelling software but can be converted to the TOUGHREACT format and other formats using available tools.

This carbfix.dat thermodynamic database for PHREEQC is built upon the core10.dat database, which is in turn based on the llnl.dat database shipped with PHREEQC. Current features of the 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

Click the link below to access the PHREEQC thermodynamic database.

PHREEQC carbfix.dat database