Publications

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Understanding of subsurface fracture opening and closure is of great importance to oil/gas production, geothermal energy extraction, radioactive waste disposal, and carbon sequestration and storage. Fracture opening and closure involve a complex set of thermal, hydrologic, mechanical and chemical (THMC) processes. In this paper, a fully coupled THMC model for fracture opening and closure is formulated by explicitly accounting for the stress concentration on aperture surface, stress-activated mineral dissolution, pressure solution at contacting asperities, and channel flow dynamics. A model analysis, together with reported laboratory observations, shows that a tangential surface stress created by a far-field compressive normal stress may play an important role in controlling fracture aperture evolution in a stressed geologic medium, a mechanism that has not been considered in any existing models. Based on the model analysis, a necessary condition for aperture opening has been derived. The model provides a reasonable explanation for many salient features of fracture evolution in laboratory experiments, including a spontaneous switch from a permeability reduction to a permeability increase in a static limestone experiment. The work may also help develop a new method for estimating in-situ stress in a reservoir.

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Disposal of high-level radioactive waste in a deep geological repository in crystalline host rock is one of the potential options for long term isolation. Characterization of the natural barrier system is an important component of the disposal option. In this study we present numerical modeling of flow and transport in fractured crystalline rock using an updated fracture continuum model (FCM). The FCM is a stochastic method that maps the permeability of discrete fractures onto a regular grid. The original method [1] has been updated to provide capabilities that enhance representation of fractured rock. A companion paper [2] provides details of the methods for generating fracture network. In this paper use of the fracture model for the simulation of flow and transport is presented. Simulations were conducted to estimate flow and transport using an enhanced FCM method. Distributions of fracture parameters were used to generate a selected number of realizations. For each realization FCM produced permeability and porosity fields. The PFLOTRAN code [3] was used to simulate flow and transport. Simulation results and analysis are presented. The results indicate that the FCM approach is a viable method to model fractured crystalline rocks. The FCM is a computationally efficient way to generate realistic representation of complex fracture systems. This approach is of interest to nuclear waste disposal modeling applied over large domains.

Understanding subsurface fracture network properties at the field scale is important for a number of environmental and economic problems, including siting of spent nuclear fuel repositories, geothermal exploration, and many others. This typically encompasses large volumes of fractured rocks with the properties inferred from the observations at rock outcrops and, if available, from the measurements in exploratory boreholes, quarries, and tunnels. These data are inherently spatially limited and a stochastic model is required to extrapolate the fracture properties over the large volumes of rocks. This study (1) describes three different methods of generating fracture networks developed for use in the fractured continuum model (FCM) and (2) provides a few examples of how these methods impact the predictions of simulated groundwater transport. A detailed analysis of the transport simulations using FCM is provided in the separate paper by the same authors (to be presented at IHLRWM 2017 conference). FCM is based on the effective continuum approaches modified to represent fractures. The permeability of discrete fractures is mapped onto a regular three-dimensional grid. The x-, y-, and z effective permeability values of a grid block are calculated from the tensor. The tensor parameters are fracture aperture, dip, strike, and number of fractures in the grid block (spacing). All three methods use the fracture properties listed above to generate corresponding permeability fields. However, the assumptions and conceptual representation of fracture network from which these properties are derived are very different. The Sequential Gaussian Simulation (SGSim) method does not require an assumption regarding the fracture shape. Fracture aperture, spacing, and orientation are defined based on the field observations. Spatially correlated features (continuation of fracture in the direction of the orientation) are created using spatially correlated random numbers generated with SGSIM code. With this method an exact number of fractures cannot be generated. The Ellipsim method assumes that the fractures are two-dimensional elliptical shapes that can be described with radius and aspect ratio. The knowledge of the fracture (ellipse) radius probability distribution is required. The fracture aperture is calculated from the ellipse radius. For this option an exact number of fractures can be generated. The fracture networks generated with SGSim and Ellipsim are not necessarily connected. The connectivity is achieved indirectly via matrix permeability that can be viewed as the permeability of much smaller fractions. The discrete fracture network (DFN) generator assumes elliptical fracture shapes and requires the same parameters as Ellipsim. The principal difference is in connectivity. The DFN method creates the fracture network connectivity via an iterative process in which not connected clusters of fractures are removed. The permeability fields were generated with FCM using three different methods and the same fracture data set loosely based on the data from an existing site in granite rocks. A few examples of transport simulations are provided to demonstrate the major findings of the comparison.

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The transit time distribution (TTD) of discharge collected from fractures in the Bedrichov Tunnel, Czech Republic, is investigated using lumped parameter models and multiple environmental tracers. We utilize time series of δ18O, δ2H and 3H along with CFC measurements from individual fractures in the Bedrichov Tunnel of the Czech Republic to investigate the TTD, and the uncertainty in estimated mean travel time in several fracture networks of varying length and discharge. We compare several TTDs, including the dispersion distribution, the exponential distribution, and a developed TTD which includes the effects of matrix diffusion. The effect of seasonal recharge is explored by comparing several seasonal weighting functions to derive the historical recharge concentration. We identify best fit mean ages for each TTD by minimizing the error-weighted, multi-tracer χ2 residual for each seasonal weighting function. We use this methodology to test the ability of each TTD and seasonal input function to fit the observed tracer concentrations, and the effect of choosing different TTD and seasonal recharge functions on the mean age estimation. We find that the estimated mean transit time is a function of both the assumed TTD and seasonal weighting function. Best fits as measured by the χ2 value were achieved for the dispersion model using the seasonal input function developed here for two of the three modeled sites, while at the third site, equally good fits were achieved with the exponential model and the dispersion model and our seasonal input function. The average mean transit time for all TTDs and seasonal input functions converged to similar values at each location. The sensitivity of the estimated mean transit time to the seasonal weighting function was equal to that of the TTD. These results indicated that understanding seasonality of recharge is at least as important as the uncertainty in the flow path distribution in fracture networks and that unique identification of the TTD and mean transit time is difficult given the uncertainty in the recharge function. However, the mean transit time appears to be relatively robust to the structural model uncertainty. The results presented here should be applicable to other studies using environmental tracers to constrain flow and transport properties in fractured rock systems.

The objective of the Crystalline Disposal R&D Work Package is to advance our understanding of long-term disposal of used fuel in crystalline rocks and to develop necessary experimental and computational capabilities to evaluate various disposal concepts in such media. FY16 continued to be a successful year in both experimental and modeling arenas in evaluation of used fuel disposal in crystalline rocks. The work covers a wide range of research topics identified in the R&D plan.

The paper is intended to define a benchmark problem related to groundwater flow and natural tracer transport using observations of discharge and isotopic tracers in fractured, crystalline rock. Three numerical simulators: Flow123d, OpenGeoSys, and PFLOTRAN are compared. The data utilized in the project were collected in a water-supply tunnel in granite of the Jizera Mountains, Bedřichov, Czech Republic. The problem configuration combines subdomains of different dimensions, 3D continuum for hard-rock blocks or matrix and 2D features for fractures or fault zones, together with realistic boundary conditions for tunnel-controlled drainage. Steady-state and transient flow and a pulse injection tracer transport problem are solved. The results confirm mostly consistent behavior of the codes. Both the codes Flow123d and OpenGeoSys with 3D–2D coupling implemented differ by several percent in most cases, which is appropriate to, e.g., effects of discrete unknown placing in the mesh. Some of the PFLOTRAN results differ more, which can be explained by effects of the dispersion tensor evaluation scheme and of the numerical diffusion. The phenomenon can get stronger with fracture/matrix coupling and with parameter magnitude contrasts. Although the study was not aimed on inverse solution, the models were fit to the measured data approximately, demonstrating the intended real-case relevance of the benchmark.

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The recent boom in shale gas production through hydrofracturing has reshaped the energy production landscape in the United States. Wellbore production rates vary greatly among the wells within a single field and decline rapidly with time, thus bring up a serious concern with the sustainability of shale gas production. Shale gas production starts with creating a fracture network by injecting a pressurized fluid in a wellbore. The induced fractures are then held open by proppant particles. During production, gas releases from the mudstone matrix, migrates to nearby fractures, and ultimately reaches a production wellbore. Given the relatively high permeability of the induced fractures, gas release and migration in low-permeability shale matrix is likely to be a limiting step for long-term wellbore production. Therefore, a clear understanding of the underlying mechanisms of methane disposition and release in shale matrix is crucial for the development of new technologies to maximize gas production and recovery. Shale is a natural nanocomposite material with distinct characteristics of nanometer-scale pore sizes, extremely low permeability, high clay contents, significant amounts of organic carbon, and large spatial heterogeneities. Our work has shown that nanopore confinement plays an important role in methane disposition and release in shale matrix. Using molecular simulations, we show that methane release in nanoporous kerogen matrix is characterized by fast release of pressurized free gas (accounting for ~ 30 - 47% recovery) followed by slow release of adsorbed gas as the gas pressure decreases. The first stage is driven by the gas pressure gradient while the second stage is controlled by gas desorption and diffusion. The long-term production decline appears controlled by the second stage of gas release. We further show that diffusion of all methane in nanoporous kerogen behaves differently from the bulk phase, with much smaller diffusion coefficients. The MD simulations also indicate that a significant fraction (3 - 35%) of methane deposited in kerogen can potentially become trapped in isolated nanopores and thus not recoverable. We have successfully established experimental capabilities for measuring gas sorption and desorption on shale and model materials under a wide range of physical and chemical conditions. Both low and high pressure measurements show significant sorption of CH₄ and CO₂ onto clays, implying that methane adsorbed on clay minerals could contribute a significant portion of gas-in-place in an unconventional reservoir. We have also studied the potential impact of the interaction of shale with hydrofracking fluid on gas sorption. We have found that the CH₄-CO₂ sorption capacity for the reacted sample is systematically lower (by a factor of ~2) than that for the unreacted (raw) sample. This difference in sorption capacity may result from a mineralogical or surface chemistry change of the shale sample induced by fluid-rock interaction. Our results shed a new light on mechanistic understanding gas release and production decline in unconventional reservoirs.

The intention of this document is to provide a path-forward for research and development (R&D) for two host rock media-specific (argillite and crystalline) disposal research work packages within the Used Fuel Disposition Campaign (UFDC). The two work packages, Argillite Disposal R&D and Crystalline Disposal R&D, support the achievement of the overarching mission and objectives of the Department of Energy Office of Nuclear Energy Fuel Cycle Technologies Program. These two work packages cover many of the fundamental technical issues that will have multiple implications to other disposal research work packages by bridging knowledge gaps to support the development of the safety case. The path-forward begins with the assumption of target dates that are set out in the January 2013 DOE Strategy for the Management and Disposal of Used Nuclear Fuel and High-Level Radioactive Waste (http://energy.gov/downloads/strategy-management-and-disposal-used-nuclear-fuel-and-high-levelradioactive- waste). The path-forward will be maintained as a living document and will be updated as needed in response to available funding and the progress of multiple R&D tasks in the Used Fuel Disposition Campaign and the Fuel Cycle Technologies Program. This path forward is developed based on the report of “Used Fuel Disposition Campaign Disposal Research and Development Roadmap (FCR&D-USED- 2011-000065 REV0)” (DOE, 2011). This document delineates the goals and objectives of the UFDC R&D program, needs for generic disposal concept design, and summarizes the prioritization of R&D issues.

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