THEREDA – Thermodynamic Reference Database

Part of the process to assess the safety of disposal sites for radioactive or chemical-toxic waste is the predictive modeling of the solubility of hazardous components in a complex aqueous solution. To ensure the reliability of thermodynamic equilibrium modeling as well as to facilitate the comparison of such calculations done by different institutions it is necessary to create a mutually accepted thermodynamic reference database.
To meet this demand in Germany several institutions joined efforts and created THEREDA. It contains a relational databank whose structure was designed in a way that promotes internal consistency of thermodynamic data. It serves as back end to a variety of supplementary programs which allow for adding, editing, and extracting subsets of data. Data considered cover the needs of Gibbs Energy Minimizers and Law-of-Mass-Action programs alike. Interaction parameters for an arbitrary number of mixed phases and p,T-functions of thermodynamic data may also be entered. At present, Pitzer- and SIT-parameters for the aqueous phase are considered.
To enhance public use THEREDA is accessible via internet.