THEREDA – Thermodynamic Reference Database

Abstract. Part of the process to ensure safety radioactive waste disposal is predictive modeling solubility all relevant toxic components in a complex aqueous solution. To reliability thermodynamic equilibrium and facilitate comparison such calculations done by different institutions, it necessary create mutually accepted reference database. meet this demand, several institutions Germany joined efforts created Thermodynamic Reference Database (THEREDA; Moog et al., 2015). THEREDA suite programs at base which resides relational Special emphasis placed on data along with suitable Pitzer coefficients allow for calculation solubilities high-saline solutions. Registered users may either download single datum or ready-to-use parameter files geochemical speciation codes PHREEQC, Geochemist's Workbench, CHEMAPP, TOUGHREACT. Data can also be downloaded generic JSON format import into other codes. The database accessed via world-wide web: http://www.thereda.de (last access: 13 July 2023). Prior release, released part subjected many tests. Results are compared results from earlier releases among This that, additions new modifications existing data, no adverse side-effects caused. Furthermore, our website offers an increasing number examples applications, including graphical representation, filtered calculated system.