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Noseck, U.*; Sch
fer, T.*; Alonso, U.*; Hamamoto, Takafumi*; Havlova, V.*; Hibberd, R.*; Ishidera, Takamitsu; Kitamura, Akira; Klajmon, M.*; Missana, T.*; et al.
Applied Geochemistry, 201, p.106762_1 - 106762_23, 2026/04
Times Cited Count：0 Percentile：0.00(Geochemistry & Geophysics)Thermodynamic benchmark calculations have been performed to better understand the behavior of 
Se(VI), 
Tc(VII), 
U(VI), 
Np(V), 
Am(III), Th(IV) and 
Pu(IV)) in the evolving geochemical conditions of the Long-term In-situ Test (LIT) at the Grimsel Test Site (GTS) and corresponding mock-up experiment. It also aims to identify the status of the geochemical speciation models and databases for these elements. The experiments are simulating the near-field conditions in some radioactive waste repository concept including a bentonite engineered barrier emplaced in crystalline rock and the findings are contributing to the long-term safety assessment of these facilities.
Payne, T. E.*; Brendler, V.*; Ochs, M.*; Baeyens, B.*; Brown, P. L.*; Davis, J. A.*; Ekberg, C.*; Kulik, D.*; Lutzenkirchen, J.*; Missana, T.*; et al.
Environmental Modelling & Software, 42, p.143 - 156, 2013/04
Times Cited Count：93 Percentile：93.21(Computer Science, Interdisciplinary Applications)Thermodynamic sorption models (TSMs) can be utilised to provide a scientific basis for Kd setting in the safety case, and for assessing the response of Kd to changes in chemical conditions. The TSM development involves a series of decisions on model features such as surface sites, sorption reactions and electrostatic corrections. There is a lack of consensus on the best ways to develop TSMs, and the NEA has therefore co ordinated an international project to assess the strategies and processes for building a TSM. This paper presents recommendations from the project on a number of aspects of TSM development in the context of radioactive waste disposal. Key recommendations include: definition of modelling objectives, identification of major decision points, a clear decision making rationale with reference to experimental or theoretical evidence, a suitable consultative and iterative model development process, testing to the maximum practicable extent, and documentation of key decisions.
