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  1. Article

    Open Access

    Thermodynamic and crystallographic model for anion uptake by hydrated calcium aluminate (AFm): an example of molybdenum

    Amongst all cement phases, hydrated calcium aluminate (AFm) plays a major role in the retention of anionic species. Molybdenum (Mo), whose 93Mo isotope is considered a major steel activation product, will be rele...

    Nicolas C. M. Marty, Sylvain Grangeon, Erik Elkaïm in Scientific Reports (2018)

  2. Article

    Open Access

    Uncertainty propagation in pore water chemical composition calculation using surrogate models

    Performance assessment in deep geological nuclear waste repository systems necessitates an extended knowledge of the pore water chemical conditions prevailing in host-rock formations. In the last two decades, ...

    Pierre Sochala, Christophe Chiaberge, Francis Claret in Scientific Reports (2022)

  3. Article

    Open Access

    Resolving experimental biases in the interpretation of diffusion experiments with a user-friendly numerical reactive transport approach

    The reactive transport code CrunchClay was used to derive effective diffusion coefficients (De), clay porosities (ε), and adsorption distribution coefficients (KD) from through-diffusion data while considering ac...

    Christophe Tournassat, Carl I. Steefel, Patricia M. Fox in Scientific Reports (2023)