Results 1 to 10 of about 36 (33)

THEREDA – Thermodynamic Reference Database [PDF]

Safety of Nuclear Waste Disposal, 2021
Abstract. Part of the process to ensure the safety of radioactive waste disposal is the predictive modeling of the solubility of all relevant 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 ...
Moog, H. C., Scharge, T., Seher, H., Bok, F., Brendler, V., Richter, A., Wissmeier, L., Altmaier, M., Gaona, X., Cevirim-Papaioannou, N., Freyer, D., Pannach, M., Sohr, J., Voigt, W.   +13 more
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Solid–liquid equilibria of Sorel phases and Mg(OH)2 in the system Na-Mg-Cl-OH-H2O. Part II: Pitzer modeling

Frontiers in Nuclear Engineering, 2023
For geochemical calculations of solubility equilibria between Sorel phases, Mg(OH)2, and oceanic salt solutions, the polythermal THEREDA dataset (based on the HMW model at 25°C) was extended.
Daniela Freyer, Melanie Pannach, Wolfgang Voigt   +2 more
doaj   +1 more source

THEREDA – Thermodynamic Reference Database

Safety of Nuclear Waste Disposal, 2023
Abstract. Part of the process to ensure the safety of radioactive waste disposal is the predictive modeling of the solubility of all relevant toxic components in a complex aqueous solution. To ensure the reliability of thermodynamic equilibrium modeling and to facilitate the comparison of such calculations done by different institutions, it is ...
Moog, H. C., Scharge, T., Seher, H., Bok, F., Brendler, V., Richter, A., Wissmeier, L., Henneberg, M., Altmaier, M., Gaona, X., Cevirim-Papaioannou, N., Freyer, D., Pannach, M., Sohr, J., Voigt, W.   +14 more
openaire   +3 more sources

Thermodynamic Reference Database (THEREDA) – Present Activities [PDF]

Goldschmidt Abstracts, 2020
Moog, H. C., Bok, F., Freyer, D., Gaona, X., Thoenen, T.   +4 more
openaire   +2 more sources

THEREDA: Thermodynamic reference database for geochemical modelling of nuclear waste disposal under saline conditions – Application, overview, and new developments

Applied Geochemistry
The Thermodynamic Reference Database (THEREDA) is designed for geochemical calculations in the context of repositories for radioactive waste under high-saline conditions. For this purpose, it adopts the Pitzer ion-interaction approach. THEREDA is currently the only database worldwide that allows comprehensive polythermal calculations (up to at least ...
Helge C. Moog, Marcus Altmaier, Frank Bok, Vinzenz Brendler, Daniela Freyer, Xavier Gaona, Sven Hagemann, Claudia Joseph, George-Dan Miron, Melanie Pannach, Julia Sohr, Wolfgang Voigt, Marie Voss, Laurin Wissmeier   +13 more
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Current Trends in Predictive Methods and Electrolyte Equations of State. [PDF]

ACS Omega, 2022
Costa Reis M.
europepmc   +1 more source

Converting the Temperature Dependent Pitzer Parameter of THEREDA for TOUGHREACT [PDF]

Goldschmidt Abstracts, 2020
Holger Seher, Torben Weyand, Guido Bracke, Helge C. Moog   +3 more
openaire   +1 more source

A carbonate-rich lake solution to the phosphate problem of the origin of life. [PDF]

Proc Natl Acad Sci U S A, 2020
Toner JD, Catling DC.
europepmc   +1 more source

Calcium Hydroxide Chlorides in THEREDA - Correction of phase stoichiometries

, 2020
Calcium hydroxide chlorides are ternary compounds occurring in the basic system Ca(OH)2 –CaCl2 –H2O as well as more complex systems. According to their composition xCa(OH)2 ∙ yCaCl2 ∙ zH2O they are also referred to as x-y-z-phases. Until 2019, literature was contradictory concerning their phase stoichiometries. Häusler et al. (Häusler, F., Schmidt, H.,
openaire   +1 more source

Data compilation and evaluation for U(IV) and U(VI) for the Thermodynamic Reference Database THEREDA

, 2015
THEREDA (Thermodynamic Reference Database) is a collaborative project, which has been addressed this challenge. The partners are Helmholtz-Zentrum Dresden-Rossendorf, Karlsruhe Institute of Technology (KIT-INE), Gesellschaft für Anlagen- und Reaktorsicherheit Braunschweig mbH (GRS), TU Bergakademie Freiberg (TUBAF) and AF-Consult Switzerland AG (Baden,
Richter, A., Bok, F., Brendler, V.
openaire   +2 more sources