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Further developments of the thermodynamic reference database THEREDA and the thermodynamic sorption database RES3T

Richter, A.; Altmaier, M.; Brendler, V.; Marquardt, C.; Moog, H.; Scharge, T.; Voigt, W.; Wilhelm, S.; Wollmann, G.

Abstract

The THEREDA project aims at a consistent and quality assured thermodynamic reference database for modeling geochemical processes in waste disposal sites. It offers evaluated thermodynamic data for all relevant elements, covering both radioactive waste and chemo-toxic substances, and with full bibliographic tracking. Parameters for a variety of models describing interactions in mixed phases are included, too. All host rocks currently discussed as candidates for waste repositories in Germany are considered. THEREDA is freely accessible (www.thereda.de).
The RES³T database (Rossendorf Expert System for Surface and Sorption Thermodynamics) supplies complementary information based on the concept of surface complexation models (SCM). Recently, a portal (www.fzd.de/RES3T) started to provide open public access.
Next steps are the integration of SCM data from RES³T into the THEREDA framework, the provision of data export tools (with speciation-code specific formatting), and the development of a web-based data input and editing interface.

Keywords: THEREDA; RES3T; thermodynamic database; sorption; radioactive waste; chemo-toxic substances; modelling

  • Vortrag (Konferenzbeitrag)
    239th ACS National Meeting, 21.-25.03.2010, San Francisco, USA
  • Abstract in referierter Zeitschrift
    American Chemical society: Abstracts of scientific papers 239(2010), GEOC-112
    ISSN: 0065-7727

Permalink: https://www.hzdr.de/publications/Publ-13230