Thermodynamic database and modeling workshop
Thermodynamic equilibrium calculations predict, based on generic data such as solubility products KS0 and complex formation constants of aqueous complexes, which complexes and solids are stable under the specific conditions of the experiment. Thermodynamic modeling is thus based on the knowledge of the thermodynamic data (e.g. solubility or complex formation) of all the solids, aqueous and gaseous species that can form in the system. These thermodynamic data are valid for all geochemical systems and compiled in different thermodynamic databases.
Geochemical modeling codes (e.g. GEMS) compute the equilibrium phase assemblage and speciation in a complex system from its total bulk elemental composition. Chemical interactions involving solids, solid solutions, gaseous phase and aqueous electrolytes are considered simultaneously. Workshops on thermodynamic modelling are carried out regularly at Empa and offer a starting to point to use thermodynamic modelling