Dr. Anke Richter
Head Works Committee
Thermodynamics of Actinides
anke.richter
hzdr.de
Phone: +49 351 260 2426
Thermodynamic Reference Database (THEREDA)
- Gesellschaft für Anlagen- und Reaktorsicherheit mbH, Process analysis division
- Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal (INE)
- Technische Universität Bergakademie Freiberg, Institute of Inorganic Chemistry
- Paul Scherrer Institute, Laboratory for Waste Management
Summary
THEREDA (Thermodynamic Reference Database) is a joint project dedicated to the creation of a comprehensive, internally consistent thermodynamic reference database, to be used with suitable codes for the geochemical modeling of aqueous electrolyte solutions up to high concentrations.
THEREDA provides thermodynamic data and Pitzer interaction coefficients for aqueous solutions which in conjunction with suitable codes allow for the calculation of solubilities of radio-toxic and chemical-toxic elements. For this we orient ourselves to the thermodynamic database from OECD-NEA (https://www.oecd-nea.org/dbtdb/).
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 formations. If necessary, data which are adopted from the NEA-database are therefore adapted or complemented. This means in particular that Pitzer interaction coefficients are saved in THEREDA and that thermodynamic standard data are consistent with them.
In difference to the very restrictive quality requirements for the NEA-database we also implement data of lower quality if they are necessary for the calculation of experimentally confirmed solubility data. The classification according to the source, the quality, and the kind of primary experimental data, from which the entered thermodynamic data were derived, is done according to a mutually agreed scheme and is visible to the users of THEREDA.
The internal data structure of THEREDA is designed quite generic, so that an extension of the database, e.g. for other potential types of host rock, is possible at all time. All THEREDA-partners work on the database in a decentralized way using a web-interface. This in conjunction with control mechanisms implemented in the databank sees for the compliance with quality requirements, a comprehensive documentation of the data and internal data consistency.
The THEREDA dataset is constantly tested by re-calculating experimental solubility data from literature. The results are given on the projects web page in the "Application cases" menu. Currently, more than 500 such test calculations are available for the user to evaluate the quality of THEREDA.
Publications
Journal papers:
Disposal of nuclear waste in host rock formations featuring high-saline solutions – Implementation of a thermodynamic reference database (THEREDA)
Moog, H. C.; Bok, F.; Marquardt, C. M.; Brendler, V.
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Applied Geochemistry 55(2015), 72-84
DOI: 10.1016/j.apgeochem.2014.12.016
Cited 33 times in Scopus
Conference contributions (Oral presentations and posters):
THEREDA – Thermodynamic Reference Database for the nuclear waste disposal in Germany
Bok, F.; Moog, H. C.; Altmaier, M.; Freyer, D.; Thoenen, T.
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Poster
(Online presentation)
Tage der Standortauswahl, 11.-12.02.2021, Freiberg, Deutschland -
Lecture (Conference)
(Online presentation)
Tage der Standortauswahl, 11.-12.02.2021, Freiberg, Deutschland
Thermodynamic Reference Database (THEREDA) – Present activities
Moog, H. C.; Bok, F.; Freyer, D.; Gaona, X.; Thoenen, T.
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Lecture (Conference)
(Online presentation)
Goldschmidt2020, 21.-26.06.2020, Honolulu, USA -
Contribution to proceedings
Goldschmidt2020, 21.-26.06.2020, Honolulu, USA
Golschmidt2020: Geochemical Society
THEREDA – Thermodynamic Reference Database
Moog, H. C.; Scharge, T.; Bok, F.; Brendler, V.; Richter, A.; Morin, D.; Thoenen, T.; Altmaier, M.; Cevirim-Papaioannou, N.; Gaona, X.; Marquardt, C.; Freyer, D.; Pannach, M.; Sohr, J.
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Poster
International Workshop on “How to integrate geochemistry at affordable costs into reactive transport for large-scale systems”, 05.-07.02.2020, Dresden, Deutschland
THEREDA - Achievements, present activities, and future developments
Moog, H. C.; Altmaier, M.; Bok, F.; Brendler, V.; Freyer, D.; Gaona, X.; Marquardt, C.; Richter, A.; Scharge, T.; Seher, H.; Thoenen, T.; Voigt, W.
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Lecture (Conference)
Actinide Brine Chemistry (ABC-Salt) VI Workshop 2019, 25.-26.06.2019, Karlsruhe, Deutschland
THEREDA – Thermodynamic Reference Database
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Lecture (Conference)
Goldschmidt2013, 25.-30.08.2013, Florence, Italy -
Abstract in refereed journal
Mineralogical Magazine 77(2013)5, 1783-1783
DOI: 10.1180/minmag.2013.077.5.13
A comparison of Pitzer databases for nuclear waste disposal modelling
Bok, F.; Richter, A.; Brendler, V.
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Poster
Goldschmidt2013, 25.-30.08.2013, Florence, Italy -
Abstract in refereed journal
Mineralogical Magazine 77(2013)5, 730-730
DOI: 10.1180/minmag.2013.077.5.2
THEREDA - One Database for thermodynamic and sorption data
Bok, F.; Brendler, V.; Richter, A.
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Poster
Experimental Mineralogy Petrology and Geochemistry 2012, 04.-07.03.2012, Kiel, Deutschland -
Contribution to proceedings
Experimental Mineralogy Petrology and Geochemistry 2012, 04.-07.03.2012, Kiel, Deutschland
