Jorge Molinero

Conceptual and numerical modeling of radionuclide transport and retention in near-surface systems.

Scenarios of barrier failure and radionuclide release to the near-surface environment are important to consider within performance and safety assessments of repositories for nuclear waste. A geological repository for spent nuclear fuel is planned at Forsmark, Sweden. Conceptual and numerical reactive transport models were developed in order to assess the retention capacity of the Quaternary till and clay deposits for selected radionuclides, in the event of an activity release from the repository. The elements considered were carbon (C), chlorine (Cl), cesium (Cs), iodine (I), molybdenum (Mo), niobium (Nb), nickel (Ni), radium (Ra), selenium (Se), strontium (Sr), technetium (Tc), thorium (Th), and uranium (U). According to the numerical predictions, the repository-derived nuclides that would be most significantly retained are Th, Ni, and Cs, mainly through sorption onto clays, followed by U, C, Sr, and Ra, trapped by sorption and/or incorporation into mineral phases.

Modelling radionuclide transport in fractured media with a dynamic update of Kd values

Radionuclide transport in fractured crystalline rocks is a process of interest in evaluating long term safety of potential disposal systems for radioactive wastes. Given their numerical efficiency and the absence of numerical dispersion, Lagrangian methods (e.g. particle tracking algorithms) are appealing approaches that are often used in safety assessment (SA) analyses. In these approaches, many complex geochemical retention processes are typically lumped into a single parameter: the distribution coefficient (Kd). Usually, the distribution coefficient is assumed to be constant over the time frame of interest. However, this assumption could be critical under long-term geochemical changes as it is demonstrated that the distribution coefficient depends on the background chemical conditions (e.g. pH, Eh, and major chemistry). In this work, we provide a computational framework that combines the efficiency of Lagrangian methods with a sound and explicit description of the geochemical changes of the site and their influence on the radionuclide retention properties. HighlightsA methodology for the dynamic update of Kd values is proposed.The update of Kd values is related to the evolution of the background chemistry.A particle tracking code uses the updated Kds to compute radionuclide breakthrough curves.The proposed methodology is numerically efficient and free of numerical dispersion.The framework is tested against synthetic problems.

Modelling Microbial Degradation Coupled to Reactive Transport in Groundwater: A Benchmark Analysis

Microbes are ubiquitous in groundwater systems, and they play an important role in the redox state of groundwater and especially on the fate of organic contaminants. In this context, numerical simulations that couple microbial processes to reactive transport models are becoming more popular. In the present work, we revisit the mathematical ground of microbial redox reactions and perform a benchmark analysis of the simulation of aerobic benzene degradation in a shallow and oxidizing aquifer. Numerical results indicate that the two codes tested (one using the finite elements approach and the other using the finite differences approach) lead to very similar results. In addition, the coupling of heterogeneous geochemical reactions to the benchmarked example problem provides a solid basis for the understanding of the redox reactions and the changes on the carbon system triggered by the aerobic degradation of benzene.