The capability of a 1-D PFLOTRAN model to simulate the S1-3 bentonite saturation experiment has been demonstrated and validated against experimental data. Work remains to be done to refine 1-D PFLOTRAN simulations of the experiment S1-4 which include evaluation of parameter sensitivities on the prediction of material saturation and relative permeabilities. This and further testing of PFLOTRAN capabilities will be done as part of DECOVALEX 2023 Task D contributions by the SNL team in the coming months.
Two-phase fluid flow properties underlie quantitative prediction of water and gas movement, but constraining these properties typically requires multiple time-consuming laboratory methods. The estimation of two-phase flow properties (van Genuchten parameters, porosity, and intrinsic permeability) is illustrated in cores of vitric nonwelded volcanic tuff using Bayesian parameter estimation that fits numerical models to observations from spontaneous imbibition experiments. The uniqueness and correlation of the estimated parameters is explored using different modeling assumptions and subsets of the observed data. The resulting estimation process is sensitive to both moisture retention and relative permeability functions, thereby offering a comprehensive method for constraining both functions. The data collected during this relatively simple laboratory experiment, used in conjunction with a numerical model and a global optimizer, result in a viable approach for augmenting more traditional capillary pressure data obtained from hanging water column, membrane plate extractor, or mercury intrusion methods. This method may be useful when imbibition rather than drainage parameters are sought, when larger samples (e.g., including heterogeneity or fractures) need to be tested that cannot be accommodated in more traditional methods, or when in educational laboratory settings.
A crucial component of field testing is the utilization of numerical models to better understand the system and the experimental data being collected. Meshing and modeling field tests is a complex and computationally demanding problem. Hexahedral elements cannot always reproduce experimental dimensions leading to grid orientation or geometric errors. Voronoi meshes can match complex geometries without sacrificing orthogonality. As a result, here we present a high-resolution 3D numerical study for the BATS heater test at the WIPP that compares both a standard non-deformed cartesian mesh along with a Voronoi mesh to match field data collected during a salt heater experiment.
A crucial component of field testing is the utilization of numerical models to better understand the system and the experimental data being collected. Meshing and modeling field tests is a complex and computationally demanding problem. Hexahedral elements cannot always reproduce experimental dimensions leading to grid orientation or geometric errors. Voronoi meshes can match complex geometries without sacrificing orthogonality. As a result, here we present a high-resolution 3D numerical study for the BATS heater test at the WIPP that compares both a standard non-deformed cartesian mesh along with a Voronoi mesh to match field data collected during a salt heater experiment.
This paper summarizes the development of post-closure safety assessment for radioactive waste disposal from the point of view of scenarios, which occupy the key point in the process between FEPs and assessment using conceptual, mathematical, and numerical models. Scenarios are used in other fields for similar purposes, but they have a central role in safety assessment for radioactive waste disposal, given the large uncertainties in natural and engineered systems over long time periods. Repository design and assessments are built around a base scenario, which is usually built up from FEPs in a deductive bottom-up fashion. The alternative scenarios are often a perturbation of the base scenario, constructed in a top-down fashion around individual safety functions of key repository features. Despite differences between nations in how they implement scenarios, largely from regulatory differences, the concept of scenarios is beneficial and is used universally in development of deep geological repositories. The methodology has also seen some use outside the field radioactive waste disposal, but its wider adoption might be warranted.
The construction of deep geological repositories (DGR) in salt formations requires penetrating through naturally sealing geosphere layers. While the emplaced nuclear waste is primarily protected by the containment-providing rock zone (CRZ), technical barriers are required, for example during handling. For closure geotechnical barriers seal the repository along the accesses against water or solutions from outside and the possible emission paths for radionuclides contained inside. As these barriers must ensure maintenance-free function on a long-term basis, they typically comprise a set of specialized elements with diversified functions that may be used redundantly. The effects of the individual elements are coordinated so that they are collectively referred to as the Engineered Barrier System (EBS).
Elevated temperature and pressure in the earth's subsurface alters the permeability of salt formations, due to changing properties of the salt-brine interface. Molecular dynamics (MD) simulations are used to investigate the mechanisms of temperature and pressure dependence of liquid-solid interfacial tensions of NaCl, KCl, and NaCl-KCl brines in contact with (100) salt surfaces. Salt-brine dihedral angles vary between 55 and 76° across the temperature (300-450 K) and pressure range (0-150 MPa) evaluated. Temperature-dependent brine composition results in elevated dihedral angles of 65-80°, which falls above the reported salt percolation threshold of 60°. Mixed NaCl-KCl brine compositions increased this effect. Elevated temperatures excluded dissolved Na+ ions from the interface, causing the strong temperature dependence of the liquid-solid interfacial tension and the resulting dihedral angle. Therefore, at higher temperature, pressure, and brine concentrations Na-Cl systems may underpredict the dihedral angle. Higher dihedral angles in more realistic mixed brine systems maintain low permeability of salt formations due to changes in the structure and energetics of the salt-brine interface.
This report summarizes the 2021 fiscal year (FY21) status of ongoing borehole heater tests in salt funded by the disposal research and development (R&D) program of the Office of Spent Fuel & Waste Science and Technology (SFWST) of the US Department of Energy’s Office of Nuclear Energy’s (DOE-NE) Office of Spent Fuel and Waste Disposition (SFWD). This report satisfies SFWST milestone M2SF- 21SN010303052 by summarizing test activities and data collected during FY21. The Brine Availability Test in Salt (BATS) is fielded in a pair of similar arrays of horizontal boreholes in an experimental area at the Waste Isolation Pilot Plant (WIPP). One array is heated, the other unheated. Each array consists of 14 boreholes, including a central borehole with gas circulation to measure water production, a cement seal exposure test, thermocouples to measure temperature, electrodes to infer resistivity, a packer-isolated borehole to add tracers, fiber optics to measure temperature and strain, and piezoelectric transducers to measure acoustic emissions. The key new data collected during FY21 include a series of gas tracer tests (BATS phase 1b), a pair of liquid tracer tests (BATS phase 1c), and data collected under ambient conditions (including a period with limited access due to the ongoing pandemic) since BATS phase 1a in 2020. A comparison of heated and unheated gas tracer test results clearly shows a decrease in permeability of the salt upon heating (i.e., thermal expansion closes fractures, which reduces permeability).
The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress in modeling and experimental approaches towards the characterization of chemical and physical phenomena that could impact the long-term safety assessment of heatgenerating nuclear waste disposition in deep-seated clay/shale/argillaceous rock. International collaboration activities such as heater tests, continuous field data monitoring, and postmortem analysis of samples recovered from these have elucidated key information regarding changes in the engineered barrier system (EBS) material exposed to years of thermal loads. Chemical and structural analyses of sampled bentonite material from such tests as well as experiments conducted on these are key to the characterization of thermal effects affecting bentonite clay barrier performance and the extent of sacrificial zones in the EBS during the thermal period. Thermal, hydrologic, and chemical data collected from heater tests and laboratory experiments has been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches (e.g., continuum and discrete) to tackle issues related to flow and transport at various scales of the host-rock, its interactions with barrier materials, and EBS design concept.
The continuum-scale electrokinetic porous-media flow and excess charge redistribution equations are uncoupled using eigenvalue decomposition. The uncoupling results in a pair of independent diffusion equations for “intermediate” potentials subject to modified material properties and boundary conditions. The fluid pressure and electrostatic potential are then found by recombining the solutions to the two intermediate uncoupled problems in a matrix-vector multiplication. Expressions for the material properties or source terms in the intermediate uncoupled problem may require extended precision or careful rewriting to avoid numerical cancellation, but the solutions themselves can typically be computed in double precision. The approach works with analytical or gridded numerical solutions and is illustrated through two examples. The solution for flow to a pumping well is manipulated to predict streaming potential and electroosmosis, and a periodic one-dimensional analytical solution is derived and used to predict electroosmosis and streaming potential in a laboratory flow cell subjected to low frequency alternating current and pressure excitation. The examples illustrate the utility of the eigenvalue decoupling approach, repurposing existing analytical solutions or numerical models and leveraging solutions that are simpler to derive for coupled physics.