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This article describes the design and evaluation of a virtual field trip on the topic of radioactive waste management research for university education. We created an interactive virtual tour through the Mont Terri underground research laboratory by enhancing the virtual experiment information system, designed for domain experts, with background information, illustrations, tasks, tests, and an improved user interface. To put the tour’s content into context, a conventional introductory presentation on the final disposal of radioactive waste was added. A user study with 22 participants proved a good perceived usability of the virtual tour and the virtual field trip’s ability to transfer knowledge. These results suggest a benefit of employing virtual field trips in geoscientific university courses. In addition, it is conceivable to use the virtual field trip as a tool for science communication in the context of participatory processes during nuclear waste disposal site selection processes.

Dilatancy-controlled gas flow in preferential pathways plays a key role in the safety analysis of radioactive waste repositories. This is particularly the case for bentonite, an often-preferred barrier material. Gas flow in preferential pathways is characterized by localization and spontaneous behavior, which is challenging to simulate in numerical models due to strong hydro-mechanical coupling. To analyze a laboratory experiment in the framework of the DECOVALEX-2023 project, this study introduced a new approach of combining continuous modelling methods with spatial material properties derived from material heterogeneities and experimental observations. The proposed model utilized hydro-mechanical spatial distributions, namely Young's modulus and gas entry pressure, and elastoplasticity combined with a linear swelling model. A conceptual strain-dependent permeability approach simulated dilatancy-controlled gas flow based on hydro-mechanical coupling. To test the effectiveness of the presented approach, a gas injection test in a compacted, saturated bentonite sample was simulated using the open-source code OpenGeoSys 5.8 and compared with experimental observations. The presented methodology is capable of simulating localized gas flow in preferential pathways. The spatial distributions of Young's modulus and gas entry pressure affect the swelling pressure, relative permeability and, in combination with the strain-dependent permeability model, also the intrinsic permeability.

As is known, high-level radioactive waste (HLW) is commonly heat-emitting. Heat output from HLW will dissipate through the surrounding rocks and induce complex thermo-hydro-mechanical-chemical (THMC) processes. In highly consolidated clayey rocks, thermal effects are particularly significant because of their very low permeability and water-saturated state. Thermal impact on the integrity of the geological barriers is of most importance with regard to the long-term safety of repositories. This study focuses on numerical analysis of thermal effects on hydro-mechanical properties of clayey rock using a coupled thermo-mechanical multiphase flow (TH2M) model which is implemented in the finite element programme OpenGeoSys (OGS). The material properties of the numerical model are characterised by a transversal isotropic elastic model based on Hooke's law, a non-isothermal multiphase flow model based on van Genuchten function and Darcy's law, and a transversal isotropic heat transport model based on Fourier's law. In the numerical approaches, special attention has been paid to the thermal expansion of three different phases: gas, fluid and solid, which could induce changes in pore pressure and porosity. Furthermore, the strong swelling and shrinkage behaviours of clayey material are also considered in the present model. The model has been applied to simulate a laboratory heating experiment on claystone. The numerical model gives a satisfactory representation of the observed material behaviour in the laboratory experiment. The comparison of the calculated results with the laboratory findings verifies that the simulation with the present numerical model could provide a deeper understanding of the observed effects.

This manuscript presents a comprehensive study on the numerical simulation of gas transport in clay rock using the finite-element method, with a specific focus on the transition of the transport regime from single-phase to two-phase conditions. Our code demonstrates the capability to cover this transition seamlessly, without relying on common approaches such as the use of persistent primary variables or the switching of primary variables. In our simulations, the primary variables are gas pressure, capillary pressure, temperature, and displacement of the solid phase. To validate our approach, two benchmark tests were conducted. The first benchmark replicates a well-known scenario in the field of radioactive waste disposal, where gas injection induces a transition from single-phase to two-phase flow. The second benchmark simulates a core drilling experiment, where the mechanical unloading of a fully saturated domain results in the appearance of a gas phase. In addition to analyzing primary quantities, a comprehensive set of secondary variables was introduced to gain deeper insights into the model’s operation and enhance understanding of the underlying processes. By plotting these secondary variables alongside the primary quantities, a comprehensive understanding of the system’s behavior during the transition of flow regimes was obtained. The primary objective of this work is to improve our understanding and confidence in the model used for simulating large repository systems, particularly in the context of nuclear waste disposal and CO2storage. By successfully capturing the transition from single-phase to two-phase gas transport, our study provides valuable insights into the behavior of gas in clay rock. This enhanced understanding lays the groundwork for utilizing the model effectively in large-scale repository simulations, contributing to the advancement of the field of gas transport in clay rock.

This work focuses on the interaction between pressure solution creep and contact area expansion under hydrothermal conditions and proposes an innovative process‐based approach for describing contact area expansion by fracture closure. The formulation is established in the physical context of pressure solution creep and represents the dynamic process of enhanced mineral dissolution over grain contacts, which moves toward equilibrium as a result of decrease of mineral solubility by pressure drop. Then, a theoretical maximum of the contact area ratio Rc,maxis obtained from the formulation whose existence demonstrates that pressure solution is with an energy threshold for activation rather than spontaneously taking place under any circumstances. Based upon the formulation, a 1‐D reactive transport model is developed and applied to investigate dissolution‐induced permeability evolution of a granite fracture under crustal conditions. The applicability of the developed model to a polymineralic system is examined against the experimental measurements reported in Yasuhara et al. (2011, https://doi.org/10.1016/j.apgeochem.2011.07.005). This investigation reconfirms the significance of pressure solution creep in fracture permeability evolution under low and moderate temperatures and provides a justified interpretation for the unusual experimental observation that fracture permeability reduction does not necessarily lead to apparent increases of effluent element concentrations. The surface topography of fracture channels markedly affects hydraulic feedback on chemical compaction in terms of both magnitude and rate of change. Temperature elevation contributes to accelerating the progression of pressure solution creep. An innovative process‐based approach is proposed for describing contact area expansion by fracture closureThe established formulation represents the dynamic process of mineral dissolution at grain contacts in response to pressure dropPressure solution has a minimum energy requirement for activation rather than spontaneously taking place under any circumstances

The water quality of all rivers into the Qinhuangdao coastal water was below the grade V in 2013. In this study, an integrated MIKE 11 water quality model is applied to deal with the water environment in the rivers into the Qinhuangdao coastal water. The model is first calibrated with the field measured chemical oxygen demand (COD) concentrations. Then the transport of the COD in the rivers into the Qinhuangdao coastal water is computed based on the model in the water environmental monitoring process. Numerical results show that the COD concentration decreases dramatically in the estuaries, from which we can determine the positions of long-term monitoring stations to monitor the river pollutions into the coastal water. Furthermore, different scenarios about the inputs of the point sources and the non-point sources are simulated to discuss the model application in the water environmental control, and simplified formula are derived for assessing the water quality and the environmental management of rivers.

The water quality of all rivers into the Qinhuangdao coastal water was below the grade V in 2013. In this study, an integrated MIKE 11 water quality model is applied to deal with the water environment in the rivers into the Qinhuangdao coastal water. The model is first calibrated with the field measured chemical oxygen demand (COD) concentrations. Then the transport of the COD in the rivers into the Qinhuangdao coastal water is computed based on the model in the water environmental monitoring process. Numerical results show that the COD concentration decreases dramatically in the estuaries, from which we can determine the positions of long-term monitoring stations to monitor the river pollutions into the coastal water. Furthermore, different scenarios about the inputs of the point sources and the non-point sources are simulated to discuss the model application in the water enviro-nmental control, and simplified formula are derived for assessing the water quality and the environmental management of rivers.

This work reports numerical stability conditions in two‐dimensional solute transport simulations including discrete fractures surrounded by an impermeable rock matrix. We use an advective‐dispersive problem described in Tang et al. (1981) and examine the stability of the Crank‐Nicolson Galerkin finite element method (CN‐GFEM). The stability conditions are analyzed in terms of the spatial discretization length perpendicular to the fracture, the flow velocity, the diffusion coefficient, the matrix porosity, the fracture aperture, and the fracture longitudinal dispersivity. In addition, we verify applicability of the recently developed finite element method‐flux corrected transport (FEM‐FCT) method by Kuzmin ([Kuzmin, D., 2009]) to suppress oscillations in the hybrid system, with a comparison to the commonly utilized Streamline Upwinding/Petrov‐Galerkin (SUPG) method. Major findings of this study are (1) the mesh von Neumann number (Fo) ≥ 0.373 must be satisfied to avoid undershooting in the matrix, (2) in addition to an upper bound, the Courant number also has a lower bound in the fracture in cases of low dispersivity, and (3) the FEM‐FCT method can effectively suppress the oscillations in both the fracture and the matrix. The results imply that, in cases of low dispersivity, prerefinement of a numerical mesh is not sufficient to avoid the instability in the hybrid system if a problem involves evolutionary flow fields and dynamic material parameters. Applying the FEM‐FCT method to such problems is recommended if negative concentrations cannot be tolerated and computing time is not a strong issue. The von Neumann number ≥ 0.373 is required to avoid undershooting in the matrixThe Courant number has a lower bound in the fracture for low dispersivityThe FEM‐FCT method can suppress oscillations in both the fracture and the matrix

To investigate gas-migration processes in saturated low-permeability argillaceous rocks, gas-injection tests under different injection pressures were carried out at different scales: on core samples at the laboratory scale; in the packed-off section of boreholes at the borehole scale (HG-B); and in the sealed microtunnel at the tunnel scale (HG-A) – a 1:2 scale experiment at the Mont Terri Rock Laboratory, Switzerland. All three tests at the Mont Terri Rock Laboratory involved Opalinus Clay. A fully coupled hydromechanical model has been developed that takes account of elastic and plastic anisotropies, anisotropic two-phase flow based on the van Genuchten function, and permeability changes when evaluating the experimental data. Two different flow regimes were studied: two-phase flow under low gas-injection pressure and dilatancy-controlled gas flow under high gas-injection pressure above the confining pressure in the laboratory experiment or the minimal principal stress in situ. When dealing with the dilatancy-controlled gas-flow regime, special consideration was made by applying two permeability approaches in which (i) the permeability change was pore-gas-pressure dependent and (ii) where the permeability change was deformation dependent.Using the parameter values determined by laboratory data, the in situborehole tests obtained under well-defined hydromechanical conditions could be analysed accordingly. The gas-flow regime in large-scale experiments, as in the case of HG-A, is mainly governed by experimental circumstances: in this case, the excavation-induced fractures around an opening with a permeability four order of magnitude higher than that in the undisturbed rock mass.

Abstract: We propose a formulation for non-isothermal two-component two-phase flow through deformable porous media. The approach covers phase transitions among both phases, i.e. liquid phase components evaporate into the gas phase while gas phase components dissolve or condensate into the liquid phase. These phase transitions always take place in thermodynamic equilibrium. The set of model equations is thereby largely independent of the specific constitutive relations. Starting from general equilibrium equations, we show the evolution of the system of weak formulations of all governing equations, which are then discretised with Taylor-Hood elements in a standard finite element approach. The model equations and the construction of the constitutive equilibria are implemented in the open-source simulator OpenGeoSys, which can be freely used and modified. To verify the implementation, we have selected a number of complementary test cases covering a wide range of process couplings. The numerical model is compared with analytical and semi-analytical solutions of these problems as well as with experimental results. It is shown in the paper that by including thermodynamic effects, solid mechanics, and phase transition processes, the proposed numerical model covers many characteristic features of unsaturated geomaterials and can be employed for the description of a broad range of problems encountered in geotechnical engineering. Article highlights:

An open-source FEM tool for non-isothermal two-phase flow in deformable porous or fractured media is presented in detail.

The model features phase transitions across both fluid phases based on simple equilibrium conditions.

A variety of benchmark tests is presented and compared to other software results and to exact solutions.

Abstract: We investigated the onset of preferential flow in heterogeneous porous media using the random walk particle tracking (RWPT) concept. The RWPT model is first used to analyze empirically the required number of particles to achieve accurate concentration distributions in two-dimensional homogeneous media and under uniform flow conditions. The analysis is then extended to randomly heterogeneous systems. By increasing the variance of log-normal hydraulic conductivity fields, the transition between homogeneous and preferential flows is observed. To analyze the degree of preferential flow in the porous media, we provide a diagram that consists of two dimensionless parameters: normalized travel time and distance. All the heterogeneous media synthetically generated show a linear relation in the diagram. The characteristic travel velocity increases with increasing heterogeneity. We found the diagram is a useful tool to analyze preferential flow.

Hydraulic flow and transport (heat and solute) within crystalline rocks is dominated by the fracture systems found within them. In situ stress conditions have a significant impact on the hydraulic, mechanical and thermal coupled processes, and quantification of these processes provides a key to understanding the often transient time-dependent behaviour of crystalline rocks. In this paper, a geomechanical model is presented which describes fracture closure as a function of effective stress and the changes in parameters such as storage, permeability, porosity and aperture. Allowing the fracture closure to be defined by the change in normal effective stress provides a link to the numerical consideration of parametrical changes due to rock stress alterations caused for example by changes in fracture fluid pressure, stress release, tectonic stress, thermal stress, orientation of the natural fracture in the pervasive stress system and local changes in a rock mass due to stress alteration. The model uses geometrical considerations based on a fractal distribution of apertures on the fracture surface, and applies well-established analytical elastic deformation solutions to calculate the deformation response to changes in effective stress. Analysis of the fractal generation method allows a standard normal distribution of fracture apertures to be predicted for all common fractal dimensions relating to a 2D surface. Changes in the fracture aperture are related to hydraulic functions such as permeability, storage and porosity of the fracture. The geomechanical model is experimentally validated against laboratory scale experimental data gained from the closure of a fractured sample recovered at a depth of 3,800 m from the KTB pilot borehole. Parameters for matching the experimental data were established externally, the only fitting parameters applied were the minimum and maximum contact area between the surfaces and the number of allowable contacts. The model provides an insight into the key processes determining the closure of a fracture, and can act as a material input function for numerical models linking the effects of changes in the stress field, hydraulic or thermal conditions, to the flow and transport parameters of a fractured system.Hydraulic flow and transport (heat and solute) within crystalline rocks is dominated by the fracture systems found within them. In situ stress conditions have a significant impact on the hydraulic, mechanical and thermal coupled processes, and quantification of these processes provides a key to understanding the often transient time-dependent behaviour of crystalline rocks. In this paper, a geomechanical model is presented which describes fracture closure as a function of effective stress and the changes in parameters such as storage, permeability, porosity and aperture. Allowing the fracture closure to be defined by the change in normal effective stress provides a link to the numerical consideration of parametrical changes due to rock stress alterations caused for example by changes in fracture fluid pressure, stress release, tectonic stress, thermal stress, orientation of the natural fracture in the pervasive stress system and local changes in a rock mass due to stress alteration. The model uses geometrical considerations based on a fractal distribution of apertures on the fracture surface, and applies well-established analytical elastic deformation solutions to calculate the deformation response to changes in effective stress. Analysis of the fractal generation method allows a standard normal distribution of fracture apertures to be predicted for all common fractal dimensions relating to a 2D surface. Changes in the fracture aperture are related to hydraulic functions such as permeability, storage and porosity of the fracture. The geomechanical model is experimentally validated against laboratory scale experimental data gained from the closure of a fractured sample recovered at a depth of 3,800 m from the KTB pilot borehole. Parameters for matching the experimental data were established externally, the only fitting parameters applied were the minimum and maximum contact area between the surfaces and the number of allowable contacts. The model provides an insight into the key processes determining the closure of a fracture, and can act as a material input function for numerical models linking the effects of changes in the stress field, hydraulic or thermal conditions, to the flow and transport parameters of a fractured system.

Abstract: The slowdown of pressure solution creep has been thought to be caused by stress redistribution. This study presents a fresh view towards this creep behaviour. Basically, two rate-limiting mechanisms come into play amid pressure solution creep: (1) stress redistribution across expanding inter-granular contacts and (2) solute accumulation in the water film. Because non-hydrostatic dissolution occurs under open system conditions, solute accumulation in the water film is constrained by the ensuing solute transport process. Relying on the matter exchange across the contact surface boundary, the active processes in the voids, e.g., solute migration and deposition, affect pressure solution creep. Based upon the above, we sum up two requirements that have to be met for achieving chemical compaction equilibrium: (1) the Gibbs free energy of reaction, i.e., the driving force of non-hydrostatic dissolution process, gets depleted and (2) the concentration gradient between the water film and surrounding pore water vanishes. Highlights:

The slowdown of pressure solution creep is a combined result of stress migration across contacts and solute accumulation in the water film.

Matter exchange with the surroundings inhibits solute accumulation in the water film.

This article identifies two prerequisites that need to be fulfilled for achieving chemical compaction equilibrium.