World-wide activities focus on the remediation of radioactively contaminated sites. One common aim is to deliver a more profound chemical base for risk assessment, namely all those physico-chemical phenomena governing the contamination plume development in time and space. Coupled transport codes able to tackle this challenge have to simplify the resulting very complex reaction pattern. To do so in an adequate way requires extending the knowledge about retardation and mobilisation phenomena and the underlying basic processes and interactions (e.g. physisorption, chemisorption, surface precipitation). Interactions at the solid-liquid interface can be described by complementary approaches, the empirical Kd concept and the mechanistic Surface Complexation Models (SCM). Kd’s are used by most reactive transport and risk assessment codes due to the straightforward numerics involved. In addition, the Kd concept is often the only feasible option for complex solid phases. However, the Kd concept is a rather simplistic approach. Many very different basic physico-chemical phenomena are subsumed in just one conditional parameter. Therefore, extrapolating Kd values may yield very large uncertainties. SCM account adsorption of ions on surface sites as complexation reaction comparable to complexation in solution. The electrical charge at the surface is determined by the chemical reactions of the mineral functional groups, including acid-base reactions and formation of ion pairs and coordinative complexes. The required parameters are site-independent and applicable despite large variations in geochemical conditions. This presents a high potential to increase confidence in safety analysis and risk assessment studies (performance assessment). The mechanistic description of sorption processes with SCM allows a thermodynamically consistent calculation of the species distribution between liquid and solid phase combined with more reliable inter- and extrapolations. However, this requires that all mineral constituents of the solid phase are characterized. Another issue is the large number of required parameters combined with time-consuming iterations. Addressing both approaches, we present two sorption databases, developed mainly by or under participation of the Forschungszentrum Dresden-Rossendorf (FZD). Both databases are implemented as relational databases, assist identification of critical data gaps and the evaluation of existing parameter sets, provide web based data search and analyses and permit the comparison of SCM predictions with Kd values. RES3T (Rossendorf Expert System for Surface and Sorption Thermodynamics) is a digitized thermodynamic sorption database (see www.fzd.de/db/RES3T.login) and free of charge. It is mineral-specific and can therefore also be used for additive models of more complex solid phases. ISDA (Integrated Sorption Database System) connects SCM with the Kd concept but focuses on conventional Kd. The integrated datasets are accessible through a unified user interface. An application case, Kd values in Performance Assessment, is given.
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ASME 2009 12th International Conference on Environmental Remediation and Radioactive Waste Management
October 11–15, 2009
Liverpool, UK
Conference Sponsors:
- Nuclear Engineering Division and Environmental Engineering Division
ISBN:
978-0-7918-4407-6
PROCEEDINGS PAPER
Sorption Databases for Increasing Confidence in Performance Assessment
Anke Richter,
Anke Richter
Forschungszentrum Dresden-Rossendorf e.V., Dresden, Germany
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Vinzenz Brendler,
Vinzenz Brendler
Forschungszentrum Dresden-Rossendorf e.V., Dresden, Germany
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Cordula Nebelung,
Cordula Nebelung
Forschungszentrum Dresden-Rossendorf e.V., Dresden, Germany
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Timothy E. Payne,
Timothy E. Payne
Australian Nuclear Science and Technology Organization, Menai, Australia
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Thomas Brasser
Thomas Brasser
Gesellschaft fu¨r Anlagen- und Reaktorsicherheit (GRS) mbH, Braunschweig, Germany
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Anke Richter
Forschungszentrum Dresden-Rossendorf e.V., Dresden, Germany
Vinzenz Brendler
Forschungszentrum Dresden-Rossendorf e.V., Dresden, Germany
Cordula Nebelung
Forschungszentrum Dresden-Rossendorf e.V., Dresden, Germany
Timothy E. Payne
Australian Nuclear Science and Technology Organization, Menai, Australia
Thomas Brasser
Gesellschaft fu¨r Anlagen- und Reaktorsicherheit (GRS) mbH, Braunschweig, Germany
Paper No:
ICEM2009-16053, pp. 361-367; 7 pages
Published Online:
December 12, 2010
Citation
Richter, A, Brendler, V, Nebelung, C, Payne, TE, & Brasser, T. "Sorption Databases for Increasing Confidence in Performance Assessment." Proceedings of the ASME 2009 12th International Conference on Environmental Remediation and Radioactive Waste Management. ASME 2009 12th International Conference on Environmental Remediation and Radioactive Waste Management, Volume 1. Liverpool, UK. October 11–15, 2009. pp. 361-367. ASME. https://doi.org/10.1115/ICEM2009-16053
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