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Thermodynamic Reference Database - Recent and present activities in THEREDA

Moog, H. C.; Bok, F.; Marquardt, C.; Thoenen, T.; Voigt, W.; Yalçintaş, E.

Abstract

Five institutions joined efforts to create a common thermodynamic reference database (THEREDA), dedicated to the calculation of radionuclide solubility in high-saline solutions in underground nuclear disposal sites. The principal output of the project are ready-to-use parameter files for thermodynamic equilibrium codes, among them ChemApp.
The presentation will give an account on the development of the project in the past ten years. Results from recent and upcoming releases will be given. Some emphasis will be given to lessons learnt in recent activities, where redox equilibria were involved.
The presentation will conclude on the long-term perspective of THEREDA and an outlook to the envisaged support of another Gibb energy minimizer.

Keywords: THEREDA; Thermodynamic reference database; ChemApp; Gibb energy minimizer

  • Lecture (Conference)
    GTT Users' Meeting 2018, 27.-29.06.2018, Herzogenrath-Kohlscheid, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27637