Contact

Dr. Frank Bok

Chemist
Thermo­dynamics of Actinides
f.bok@hzdr.de
Phone: +49 351 260 3551

Susanne Zechel

s.zechelAthzdr.de
Phone: +49 351 260 3328

Foto: SOREDA-Logo ©Copyright: Dr. Frank Bok

Sorption Reference Database (SOREDA)

Funded by:

BGE, the federal company for radioactive waste disposal: EKFuE-21-03-js

Period:

04/2022 – 06/2026

Partners:

People:

Susanne Zechel (HZDR), Frank Bok (Projektleitung, HZDR), Dan Miron (PSI-LES), (Olha Marinich, PSI-LES)

Foto: SOREDA-Team ©Copyright: Bettina Theuner

SOREDA team

Short description

Sorption on the surfaces of mineral phases is one of the determining retention mechanisms for radionuclides alongside precipitation. Sorption must be regarded as the most effective form of retention, especially in the far field of a repository. A thermodynamic description of sorption and thus the inclusion of aquatic chemistry, including the possibility of incorporating changes in geochemistry into these calculations, is possible using surface complexation modeling (SCM). Despite the extremely successful development of SCM and a large number of publications on investigations of the sorption of various radionuclide-mineral combinations, there is currently no reference database for SCM worldwide.

The aim of the project is to derive a quality-assured reference database for sorption data, store it in a relational database and make it available in the specific formats of geochemical calculation programs. To this end, the experimental data available in the literature on sorption investigations are to be collected, critically evaluated, re-digitized and consistently re-evaluated. The focus is on the use of chemically evident surface species, which enables the derivation of simple but robust SCMs.

Publications

2025

Application of a community FAIR sorption database to radionuclide surface complexation and ion exchange models for nuclear waste repository science

Zavarin, M.; Han, S.-C.; Zechel, S.; Brendler, V.; Bok, F.; Powell, B.; Coutelot, F.; Marinich, O.; Marques Fernandes, M.; Miron, D.-G.

  • Poster
    19th Conference on the Migration of Actinides and Fission Products in the Geosphere (Migration '25), 21.-26.09.2025, New Orleans, USA

Surface Complexation Modelling: Pathways towards a consistent sorption database

Bok, F.; Zechel, S.; Miron, G.-D.; Marinich, O.; Brendler, V.

  • Poster
    19th Conference on the Migration of Actinides and Fission Products in the Geosphere (Migration '25), 21.-26.09.2025, New Orleans, USA

A Reference Database of Radionuclide Sorption to Support the Safety Assessment of Deep Geological Repositories

Marinich, O.; Miron, G.-D.; Bok, F.; Zechel, S.; Brendler, V.; Marques Fernandes, M.; Baeyens, B.

  • Lecture (Conference)
    safeND 2025: Forschungssymposium des BASE, 17.-19.09.2025, Berlin, Deutschland

The generic kaolinite sorption model for a consistent radionuclide sorption database

Marinich, O.; Miron, G. D.; Baeyens, B.; Zechel, S.; Bok, F.; Brendler, V.

  • Lecture (Conference)
    18th International Clay Conference (ICC), 13.-18.07.2025, Dublin, Ireland

SOREDA – a consistent surface complexation modelling database for radionuclide sorption

Bok, F.; Zechel, S.; Miron, G.-D.; Marinich, O.; Brendler, V.

  • Invited lecture (Conferences)
    Workshop on thermodynamic modeling Connecting Theory and Application: Tackling Challenges in Surface Complexation and Reactive Transport Modeling, 12.-14.05.2025, Braunschweig, Deutschland

Pathways towards a consistent surface complexation modelling database for radionuclide sorption

Bok, F.; Zechel, S.; Miron, G.-D.; Marinich, O.; Brendler, V.

  • Lecture (Conference)
    Goldschmidt2025, 06.-11.07.2025, Prag, Tschechien

Surface Complexation Modelling: Pathways towards a consistent sorption database

Bok, F.; Zechel, S.; Miron, G.-D.; Marinich, O.; Brendler, V.

  • Lecture (Conference)
    Trust in Models III, 19.-20.02.2025, Berlin, Deutschland

2024

Sorption data: Enhancement of geochemical modeling by chemically evident surface speciation

Bok, F.; Zechel, S.; Miron, D.; Marinich, O.; Marques Fernandes, M.

  • Lecture (Conference)
    American Chemical Society Spring Meeting 2024, 17.-21.03.2024, New Orleans, USA

2023

Application of Community Data to Surface Complexation Modeling Framework Development: Iron Oxide Protolysis

Han, S.-C.; Chang, E.; Bok, F.; Zechel, S.; Zavarin, M.


2022

Development of Thermodynamic Sorption Databases

Bok, F.

  • Invited lecture (Conferences)
    OECD/NEA Management Board Meeting, 08.11.2022, Paris, France