Toughreact

Thermodynamics

The first group of files (column "Thermodynamics") includes only thermodynamic data, for equilibrium reaction involving mineral, gases and aqueous complexes. The LogK(T) functions have been calculated using the properties which are displayed in the “Data Consultation” section.

The calculation process is described in [Blanc et al. (2012).


Kinetics

Kinetics includes a selection of [kinetic rate laws compiled by Marty et al. (2014)] and [Palandri and Karakha (2004)]. The Q/K parameters are consistent with the Thermodynamic database of Thermoddem. Note that this module is also consistent with the Thermochimie database.