carbfix.dat

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The carbfix.dat thermodynamic database for PHREEQC

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# carbfix.dat
The carbfix.dat thermodynamic database for the [PHREEQC](https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/) geochemical modelling software.

For a version including kinetic data, please see [here](https://github.com/CarbFix/carbfix.dat/tree/kinetics).

This database is built upon the [core10.dat](https://github.com/MarcNeveu/IcyDwarf/) 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](https://doi.org/10.1016/j.egypro.2018.07.012)*

This work has been carried out within the [CarbFix2](http://carbfix.com) project that has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 764760.

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