English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

. According to the ongoing site selection process for a repository forhigh-level radioactive waste in Germany, rock salt, clay and crystalline rockare possible host rocks. The pore water of these rocks contains salinesolutions with high ionic strengths. To model the speciation and/or migrationof radionuclides in long-term safety analyses for nuclear waste disposal, ageochemical code that includes thermodynamic data suitable for salinesolutions is needed. Thermodynamic equilibrium in saline solutions with highionic strengths is usually modelled using the Pitzer approach (Pitzer,1991). Within the context of nuclear waste disposal, the THEREDA project (Moog etal., 2015) provides thermodynamic data for some widely used geochemical codes(PHREEQC, Geochemist's Workbench, ChemApp, and EQ 3/6) using the Pitzerapproach; however, for modelling in long-term safety analyses for nuclearwaste disposal, another geochemical code, TOUGHREACT, is used. Therefore,scripts were developed to convert thermodynamic data of the THEREDA project tobe applicable in TOUGHREACT. The scripts were validated by benchmark tests and by comparing calculationsusing PHREEQC and TOUGHREACT (Weyand et al., 2021). In total, 50 differentbenchmark tests were performed considering 3 specific geochemical systems,which are relevant to long-term safety analyses: (1) oceanic salt system,polythermal: K, Mg, Ca, Cl, SO4, H2O(l), (2) actinide system,isothermal: Am(III), Cm(III), Nd(III), Na, Mg, Ca, Cl, OH, H2O(l) and(3) carbonate system, isothermal: Na, K, Mg, Ca, Cl, SO4,HCO3/CO2(g), H2O(l). Each benchmark test considered specificion concentrations in solution and in gaseous phases in the presence ofspecific minerals. The benchmark tests derived the geochemical equilibria andthe results of both codes were compared to each other and to experimentaldata. The results of the calculations using both codes showed a goodcorrelation. Remaining deviations can be explained by technical differences ofthe codes.

Geochemical benchmark tests to validate the conversion of thermodynamic data for TOUGHREACT