Contact
Prof. Dr. Vinzenz Brendler
Head of Department
Thermodynamics of Actinides
v.brendler@hzdr.de
Phone: +49 351 260 2430
Further Development of the Smart-Kd-Concept for Long-Term Safety Assessment (WEIMAR)
Summary
One important natural retardation process for contaminants (e.g. heavy metals, radionuclides) during the transport through surface sediments or rock fissures is sorption onto mineral surfaces. Describing the sorption as realistically as possible is therefore essential in geochemical modeling.
In this project, a new modeling approach is developed, where more realistic distribution coefficients are calculated as a function of important environmental parameters such as pH value, ionic strength, competing cations and complex forming ligands using PHREEQC [1] and UCODE [2]. Such a mechanistic approach, namely “Smart-Kd concept” based on surface complexation models (SCM) and allows to predict variation in sorption as a consequence of changing physicochemical conditions (e.g. due to anthropogenic causes or climatic changes). Required thermodynamic sorption data are taken from RES³T.
The philosophy behind this approach is to compute a-priori multidimensional smart-Kd matrices for relevant contaminants (see Fig. 1), which are accessible during (reactive) transport simulations with existing transport codes (e.g. such as the 3D reactive transport code r³t, radionuclides, reaction, retardation, and transport [3] as well as its update d³f++). It is worth mentioning that this basic methodology can be transferred to any other transport code relying on conventional distribution coefficients as well as to any geological formation.
Fig. 1.: Multidimensional smart-Kd matrix for U(VI) sorption in a sandy aquifer system as a function of pH, [DIC], and [Ca] (d in m3 kg-1, logarithmic scale).
- Parkhurst, D.L.; Appelo, C.A.J. (1999) U.S.G.S. Report 99-425.
- Poeter, E.P. et al. (2005) U.S.G.S. Techniques and Methods 6-A11.
- Fein, E. (2004) Report GRS-192.
Publications
Journal papers:
Macroscopic and spectroscopic characterization of uranium(VI) sorption onto orthoclase and muscovite and the influence of competing Ca2+
Richter, C.; Müller, K.; Drobot, B.; Steudtner, R.; Großmann, K.; Stockmann, M.; Brendler, V.
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Geochimica et Cosmochimica Acta 189(2016), 143-157
DOI: 10.1016/j.gca.2016.05.045
Cited 33 times in Scopus
Smart Kd-values, their uncertainties and sensitivities - Applying a new approach for realistic distribution coefficients in geochemical modeling of complex systems
Stockmann, M.; Schikora, J.; Becker, D.-A.; Flügge, J.; Noseck, U.; Brendler, V.
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Chemosphere 187(2017), 277-285
DOI: 10.1016/j.chemosphere.2017.08.115
Cited 26 times in Scopus
Conference contributions (Oral presentations and posters):
Sensitivity and uncertainty analysis for geochemical models for repository safety assessment
Stockmann, M.; Becker, D.-A.; Noseck, U.; Brendler, V.
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Poster
Ninth International Conference on Sensitivity Analysis of Model Output (SAMO'19), 28.-30.10.2019, Barcelona, Spain
Smart Kd‑concept for realistic description of sorption processes
Stockmann, M.; Becker, D.; Flügge, J.; Schikora, J.; Noseck, U.; Brendler, V.
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Lecture (Conference)
DAEF 2016 - 2nd Conference on Key Topics in Deep Geological Disposal – Challenges of a Site Selection Process: Society – Procedures – Safety, 26.-28.09.2016, Köln, Deutschland
Multidimensional “smart Kd-matrices” for realistic description of sorption processes
Stockmann, M.; Brendler, V.; Flügge, J.; Noseck, U.
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Lecture (Conference)
Water-Rock Interaction, 16.-21.10.2016, Évora, Portugal
Sorption of environmentally relevant radionuclides (U(VI), Np(V)) and lanthanides (Nd(III)) on feldspar and mica
Richter, C.
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Lecture (Conference)
Kompetenzzentrum Ost für Kerntechnik (KOMPOST) 10.Doktorandenseminar, 08.12.2015, Dresden, Deutschland
Sorption of environmentally relevant radionuclides (UO22+, NpO2+) and lanthanides (Nd3+) on feldspar and mica
Richter, C.
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Lecture (others)
Abteilungsseminar der Abteilung Hydrogeochemie und Hydrogeologie, Institut für Geowissenschaften, Universität Heidelberg, 03.12.2015, Heidelberg, Deutschland
Influence of calcium on the uranium(VI) interaction with mineral surfaces
Richter, C.; Brendler, V.; Steudtner, R.; Drobot, B.
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Poster
GDCh Wissenschaftsforum 2015, 30.08.-02.09.2015, Dresden, Deutschland
Influence of calcium onto the sorption of uranium(VI) in the far-field of nuclear waste repositories
Richter, C.
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Lecture (Conference)
Petrus PhD Conference 2015, 22.-26.06.2015, Nancy, France
A new methodology for utilizing multidimensional smart Kd-matrices in transport programs for long-term safety assessment
Stockmann, M.; Brendler, V.; Schikora, J.; Flügge, J.; Noseck, U.
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Lecture (Conference)
MIGRATION 2015, 13.-18.09.2015, Santa Fe, NM, USA
Investigation of contaminated soil
Richter, C.; Fahmy, K.
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Lecture (Conference)
ISBC Meeting, Lund 2014, 03.06.2014, Lund, Schweden
The influence of naturally occurring microorganisms on the sorption of uranium
Richter, C.
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Lecture (others)
LLNL intern seminar, 23.-24.06.2014, Livermore, USA
The Influence of Mineral-Originated Microorganisms on the Sorption of Uranium
Richter, C.; Großmann, K.; Brendler, V.
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Poster
Goldschmidt 2014, 09.-13.06.2014, Sacramento, USA
New Methodology for Realistic Integration of Sorption Processes Safety Assessments
Noseck, U.; Britz, S.; Flügge, J.; Mönig, J.; Brendler, V.; Stockmann, M.
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Lecture (Conference)
WM2014 Conference, 02.-06.03.2014, Phoenix, Arizona, USA
A wrap up of modeling sorption processes of Eu3+ under varying geochemical conditions
Britz, S.; Noseck, U.; Brendler, V.; Durner, W.; Zachmann, D.
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Lecture (Conference)
TRePro III – Workshop on Modelling of Coupled Reactive and Transport Processes, 05.-07.03.2014, Karlsruhe, Deutschland
Titration curves, column experiments, and reactive transport models
Britz, S. M.; Noseck, U.; Brendler, V.; Stockmann, M.
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Poster
Goldschmidt 2013, 25.-30.08.2013, Florence, Italy
Environmental parameters that determine distribution coefficients of radionuclides for repositories
Stockmann, M.; Brendler, V.; Richter, C.; Flügge, J.; Britz, S.; Noseck, U.
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Poster
Goldschmidt 2013, 25.-30.08.2013, Florence, Italy
Clarification of the sorption behavior of uranium onto mica and feldspar
Richter, C.; Stockmann, M.; Brendler, V.; Großmann, K.
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Poster
JCF Frühjahrssymposium 2013, 06.-09.03.2013, Berlin, Deutschland
