Reaktoro 
A unified framework for modeling chemically reactive systems
Thermodynamic Databases

The currently supported thermodynamic databases in Reaktoro are listed here.

SUPCRT92 Databases

current The table below shows the current available built-in databases in Reaktoro and their description.

Built-in Database Description
supcrt98.xml Derived from the SUPCRT92[1] database file slop98.dat, without organic species.
supcrt07.xml Derived from the SUPCRT92[1] database file slop07.dat, without organic species.
supcrt98-organics.xml Derived from the SUPCRT92[1] database file slop98.dat, with organic species.
supcrt07-organics.xml Derived from the SUPCRT92[1] database file slop07.dat, with organic species.

This file was produced by converting database has been produced for Reaktoro is produced from the is the SUPCRT92[1] database which contains parameters for the revised Helgeson-Kirkham-Flowers (HKF) equations of state for the calculation of standard thermodynamic properties of hundreds of aqueous species as well as Maier–Kelly coefficients for the calculation of standard thermodynamic properties of gases and minerals at temperatures 0 to 1000 °C and pressures 1 to 5000 bar.

that should be found at the same directory from where the application is executed! For convenience, Reaktoro also maintains a few built-in databases, including supcrt98.xml, whose files need not be found along with the application. Thus, if no file supcrt98.xml is found, the Database object will be initialized with the built-in database instead.

PHREEQC Databases

Reaktoro supports PHREEQC[3] thermodynamic databases.

GEMS{ Kulik2013} Databases