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Data Release THEREDA 2020

Select a link to get access to the parameterfile of the respective code, its MD5-checksum, and the release notes. Following "Earlier releases" you get access to all earlier released parameterfiles. They will not be updated anymore.

Registered users have free access to the following information after login:

Single Data Query: Here all thermodynamic data, the ion-ion interaction parameters (Pitzer model) and the temperature functions are available.

Ready-to-use DB: Tailored data bases are available for immediate use in supported geochemical codes (ChemApp, EQ3/6, Geochemist's Workbench and PHREEQC). The following data releases are available:

1. Release: System Na, K, Mg, Ca - Cl, SO4 - H2O(l) (polytherm)
2. Release: System Am(III), Cm(III), Nd(III) - Na, Mg, Ca - Cl, OH - H2O(l) (25°C)
3. Release: System Na, K, Mg, Ca - Cl, SO4 - HCO3/CO2(g) - H2O(l)
4. Release: System Np(V) - Na - Cl - H2O(l) (25°C)
5. Release: System Cs - K, Na, Mg, Ca, - Cl, SO4, CO3/HCO3/CO2(g) - H2O (25°C)
6. Release: System Si, Al - Na, K, Mg, Ca, - Cl, SO4, CO3/HCO3/CO2(g) - H2O(l) (25°C)
7. Release: System Th(IV), Np(IV), Pu(IV) - Na, K, Ca - Cl, CO3/HCO3/CO2(g) - H2O(l) (25°C)
8. Release: System Am(III), Cm(III) - Na - Cl, SO4, CO3/HCO3/CO2(g) - H2O(l) (25°C)
9. Release (Upgrade 1): System U(IV/VI) - Na, Mg, Ca, K - Cl, SO4, HCO3/CO2(g), Si, H2PO4/HPO4/PO4 - H2O(l) (25°C)
9. Release: System U(IV/VI) - Na, Mg, Ca, K - Cl, SO4, CO3/HCO3/CO2(g), Si - H2O(l) (25°C)
10. Release: System Na - Cl - Tc(IV) / TC(VII) - OH, Mg - Cl - Tc(IV) - OH, Ca - Cl - Tc(IV) - OH (25°C)
11. Release: System Sr - Na, K, Mg, Ca - Cl, SO4 - HCO3/CO2(g) - H2O (25°C)
12. Release: System HPO42−, H2PO4, PO43− - Na+, K+, Mg2+, Ca2+, Cl, SO42−, CO32− – H2O(l) (25°C)

References: All references, from which the released THEREDA data sets were created, can be accessed here.

Element data: Here the thermodynamic data of the elements are listed in their reference states.