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Introduction to the project

THEREDA provides thermodynamic data and Pitzer interaction coefficients for aqueous solutions. Coupled to suitable codes, this allows for the calculation of solubilities of radio-toxic and chemical-toxic elements. Here, we follow the approach of the OECD-NEA thermochemical database (

Our work is focussed on the critical evaluation and provision of data which support the calculation of solubilities in high-saline solutions, as they can be encountered in rock salt or various clay formations. Data taken from the NEA-database are adapted or complemented if necessary. In particular, Pitzer interaction coefficients consistent to thermodynamic standard data are added.

Contrary to the very restrictive quality requirements of the OECD-NEA database we also provide data of lower quality if they are necessary for the calculation of experimentally confirmed solubility data. A classification according to the source, the quality, and the kind of primary experimental data, from which the entered thermodynamic data were derived, was developped to guide the users of THEREDA.

The internal data structure of THEREDA is designed quite generic, paving the way to future extensions of the database, e. g. for other potential host rocks or contaminants. All THEREDA-partners work on the database in a decentralized way using a web-interface. Compliance with quality requirements and internal data consistency is assured by control mechanisms embedded into the databank. A comprehensive documentation of the data accompanies the web interface.

The THEREDA-partners are open for collaboration with other institutions from Germany and abroad, which are working on a similar field. Questions regarding possibilities for an associated partnership with THEREDA can be directed to This email address is being protected from spambots. You need JavaScript enabled to view it. or to all other project partners.