Actinide thermodynamics department
Research
The research topics of the Department of Actinide Thermodynamics within the Institute of Resource Ecology are clustered around the determination of thermodynamic (and kinetic) parameters, their evaluation, processing, storage in respective databases and utilization for geochemical modeling. From a chemical point of view the focus is set on heavy metal contaminants, namely long-lived radionuclides. Their environmental fate, including migration and entrance into the food chain is of paramount societal concern. Respective precaution, detoxification, separation and remediation measures need to be designed on the basis of a mechanistic understanding of all relevant physico-chemical processes. Then in turn a realistic, i.e. precise and robust forecast of their dissemination in geo- and biosphere and the risk involved for human health becomes possible.
Whereas the thermodynamic of aquatic species is often quite well understood, the picture is different for surface processes such as surface complexation, ion exchange, mineral transformation and surface precipitation - all of them considered important retardation mechanisms in complex environmental systems. With respect to solid phases research primarily deals with those minerals dominati
ng most rocks and soils. Prominent examples are the rock-forming constituents of crystalline rocks such as quartz, feldspars and mica, or alumosilicates such as kaolinite, illite, or montmorillonite. Engineered systems of interest are iron minerals and cementitious compounds.
Based on own investigations but also strongly embedded in the research topics of other departments (namely Surface Processes, Chemistry of the f-Elements, Molecular Structure and Biogeochemistry) the identification of (surface) species and development of molecular models lays the foundation of realistic sets of species and their reaction equations - usually called model development. In a second step formation constants and other thermodynamic parameters are determined through experimental series under varying boundary conditions like pH, redox potential, ionic strength, temperature or CO2 partial pressure. This allows for the parameterization of the models derived afore. Species sets, reactions and parameters then support the compilation of respective geochemical databases providing required for the assessment of the macroscopic migration behavior of the long-lived radionuclides. Respective codes are shared with the department of Reactive Transport, where the team also provides many aspects of surface characterizations needed for our own model development. Another overarching goal is a tiered approach towards upscaling from the nano- to the macro scale, bridging the distance between atomistic investigations and the large scale prognostics required e.g. in performance assessment of nuclear waste repositories and covering distances of several km over up to one million years.
The actual major research topics of our department can be su
mmarized as follows:
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(Radio)chemical analyses of contaminant elements as well as matrix compounds down to the ultratracer level.
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Set-up of thermodynamic data bases for prospective deep nuclear waste repositories.
Latest publication
Towards tailoring hydrophobic interaction with uranyl(VI) oxygen for C-H activation
Tsushima, S.; Kretzschmar, J.; Doi, H.; Okuwaki, K.; Kaneko, M.; Mochizuki, Y.; Takao, K.
Bovine serum albumin (BSA) has a uranyl(VI) binding hotspot where uranium is tightly bound by three carboxylates. Uranyl oxygen is “soaked” into the hydrophobic core of BSA. Isopropyl hydrogen of Val is trapped near UO22+ and upon photoexcitation, C–H bond cleavage is initiated. A unique hydrophobic contact with “yl”-oxygen, as observed here, can be used to induce C-H activation.
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Chemical Communications 60(2024), 4769-4772
Online First (2024) DOI: 10.1039/D4CC01030B
Team
Head | |||||
Name | Bld./Office | +49 351 260 | |||
---|---|---|---|---|---|
Prof. Dr. Vinzenz Brendler | 801/P250 | 2430 | v.brendler@hzdr.de | ||
Employees | |||||
Name | Bld./Office | +49 351 260 | |||
Dr. Frank Bok | 801/P202 | 3551 | f.bok@hzdr.de | ||
Rodrigo Castro Biondo | r.castro-biondohzdr.de | ||||
Viktor Dück | 801/P306 | 3241 | v.dueckhzdr.de | ||
Alexandra Duckstein | 801/P153 | 2774 | a.ducksteinhzdr.de | ||
Dr. Stephan Hilpmann | 801/P306 | 2860 | s.hilpmannhzdr.de | ||
Dr. Jerome Kretzschmar | 801/P207 | 3136 | j.kretzschmarhzdr.de | ||
Dr. Elmar Plischke | e.plischkehzdr.de | ||||
Dr. Solveig Pospiech | 801/P205 | 2438 | s.pospiechhzdr.de | ||
Dr. Anke Richter | 801/P202 | 2426 | anke.richterhzdr.de | ||
Dr. Katja Schmeide | 801/P208 | 2436 2513 | k.schmeidehzdr.de | ||
Salim Shams Aldin Azzam | 801/P348 | 2386 | s.shamshzdr.de | ||
Claudia Sieber | 801/P254 | 2251 | c.sieberhzdr.de | ||
Susanne Zechel | 801/P352 | 3328 | s.zechelhzdr.de |
Analytics
Head | |||||
Name | Bld./Office | +49 351 260 | |||
---|---|---|---|---|---|
Dr. Harald Foerstendorf | 801/P251 | 3664 2504 | h.foerstendorfhzdr.de | ||
Employees | |||||
Name | Bld./Office | +49 351 260 | |||
Sabrina Beutner | 801/P203 | 2429 2528 | s.beutnerhzdr.de | ||
Tim Gitzel | 801/P316 | 2025 | t.gitzelhzdr.de | ||
Dominik Goldbach | 801/P203 | 3198 | d.goldbachhzdr.de | ||
Karsten Heim | 801/P201 | 2434 2504 | k.heimhzdr.de | ||
Sylvia Schöne | 801/P203 | 3198 2526 | s.schoene@hzdr.de, s.guertlerhzdr.de |