Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

2 Publications
THEREDA - A Thermodynamic Reference Database
Moog, H.; Brendler, V.; Gester, S.; Richter, A.; Altmaier, M.; Marquardt, C.; Neck, V.; Hagemann, S.; Herbert, H.-J.; Willms, T.; Voigt, W.; Wollmann, G.; Wilhelm, S.;
Part of the process to ensure the safety of radioactive waste disposal is the predictive modeling of the solubility of certain toxic 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 several institutions in Germany joined efforts and created THEREDA. THEREDA is a relational databank whose structure was designed in a way that facilitates internal consistency of thermodynamic data entered. It serves as backend to a variety of peripheral programs which allow for adding, editing, and extracting subsets of data. Data considered cover the needs for 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 entered. To enhance public use THEREDA is accessible via internet.

The paper gives an account about the present state of THEREDA as well as of future developments.
Keywords: THEREDA, thermodynamic database, waste disposal, internet
  • Lecture (Conference)
    Waste Management Conference WM 2009, 01.-05.03.2009, Phönix (AZ), USA
  • Contribution to proceedings
    Waste Management Symposium 2009: Waste Management for the Nuclear Renaissance, 01.-05.03.2009, Phoenix (Arizona), USA
    Waste Management Symposium 2009: Waste Management for the Nuclear Renaissance (8 Vols): Curran Associates, Inc., 9781615672523

Publ.-Id: 11943 - Permalink