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Abstract: This paper presents a study of solute transport through ground water in the saturated zone and the resulting breakthrough curves (BTCs), using a field-scale numerical model that incorporates the processes of advection, dispersion, matrix diffusion in fractured volcanic formations, sorption, and colloid-facilitated transport. Such BTCs at compliance boundaries are often used as performance measures for a site. The example considered here is that of the saturated zone study prepared for the Yucca Mountain license application. The saturated zone at this site occurs partly in volcanic, fractured rock formations and partly in alluvial formations. This paper presents a description of the site and the ground water flow model, the development of the conceptual model of transport, model uncertainties, model validation, and the influence of uncertainty in input parameters on the downstream BTCs at the Yucca Mountain site. [ABSTRACT FROM AUTHOR]

This paper describes the development and use of a particle-tracking model to perform radionuclide-transport simulations in the unsaturated zone at Yucca Mountain, Nevada. The goal of the effort was to produce a computational model that can be coupled to the project''s calibrated 3D site-scale flow model so that the results of that effort could be incorporated directly into the Total System Performance Assessment (TSPA) analyses. The transport model simulates multiple species (typically 20 or more) with complex time-varying and spatially varying releases from the potential repository. Water-table rise, climate-change scenarios, and decay chains are additional features of the model. A cell-based particle-tracking method was employed that includes a dual-permeability formulation, advection, longitudinal dispersion, matrix diffusion, and colloid-facilitated transport. This paper examines the transport behavior of several key radionuclides through the unsaturated zone using the calibrated 3D unsaturated flow fields. Computational results illustrate the relative importance of fracture flow, matrix diffusion, and lateral diversion on the distribution of travel times from the simulated repository to the water table for various climatic conditions. Results also indicate rapid transport through fractures for a portion of the released mass. Further refinement of the model will address several issues, including conservatism in the transport model, the assignment of parameters in the flow and transport models, and the underlying assumptions used to support the conceptual models of flow and transport in the unsaturated zone at Yucca Mountain. [Copyright &y& Elsevier]

Abstract: We analyzed a data set of thermally induced changes in fractured rock permeability during a 4-year heating (up to 200°C) and subsequent 4-year cooling of a large volume, partially saturated and highly fractured volcanic tuff at the Yucca Mountain Drift Scale Test, Nevada, USA. Permeability estimates were derived from about 700 pneumatic (air-injection) tests, taken periodically at 44 packed-off borehole intervals during the heating and cooling cycle from November 1997 through November 2005. We analyzed air-permeability data by numerical modeling of thermally induced stress and moisture movements and their impact on air permeability within the highly fractured rock. Our analysis shows that changes in air permeability during the initial 4-year heating period, which were limited to about one order of magnitude, were caused by the combined effects of thermal-mechanically induced stress on fracture aperture and thermal-hydrologically induced changes in fracture moisture content. At the end of the subsequent 4-year cooling period, air-permeability decreases (to as low as 0.2 of initial) and increases (to as high as 1.8 of initial) were observed. By comparison to the calculated thermo-hydro-elastic model results, we identified these remaining increases or decreases in air permeability as irreversible changes in intrinsic fracture permeability, consistent with either inelastic fracture shear dilation (where permeability increased) or inelastic fracture surface-asperity shortening (where permeability decreased). In this paper, we discuss the possibility that such fracture asperity shortening and associated decrease in fracture permeability might be enhanced by dissolution of highly stressed surface asperities over years of elevated stress and temperature. [Copyright &y& Elsevier]

Abstract: This paper presents thermo-hydro-mechanical (THM) analyses simulating the Drift Scale Test (DST) performed at Yucca Mountain. A double structure approach based on two superimposed domains is adopted. Intrinsic permeability changes with deformations imply full THM coupling. Temperatures and gas permeabilities were measured during 4 years and are used to validate the model. Measured gas permeability variations show patterns that are successfully explained by the model calculations. These gas permeability variations may be attributed to thermo-hydraulic effects, and also to mechanical effects. Different cases of intrinsic permeability variations have been considered in the model and their influence on the calculated temperatures, degree of saturations and gas permeabilities are presented. Volumetric deformation, in contraction or dilatancy, implies changes in the aperture of rock fractures that in turn lead to changes in intrinsic permeability. Dilatancy, caused by shear stresses, increases intrinsic permeability. Consideration of this factor contributes significantly to improve the agreement of calculated gas permeability with the measured values obtained during the DST experiment. [Copyright &y& Elsevier]

Abstract: Xu et al. (2003) [Xu, T., Sonnenthal, E., Bodvarsson, G., 2003. A reaction-transport model for calcite precipitation and evaluation of infiltration–percolation fluxes in unsaturated fractured rock. J. Contam. Hydrol., 64, 113–127.] presented results of a reaction-transport model for calcite deposition in the unsaturated zone at Yucca Mountain, and compared the model results to measured abundances in core from a surface-based borehole. Marshall et al. (2003) [Marshall, B.D., Neymark, L.A., Peterman, Z.E., 2003. Estimation of past seepage volumes from calcite distribution in the Topopah Spring Tuff, Yucca Mountain, Nevada. J. Contam. Hydrol., 62–63, 237–247.] used the calcite distribution in the Topopah Spring Tuff to estimate past seepage into lithophysal cavities as an analog for seepage into the potential repository waste emplacement drifts at Yucca Mountain in southern Nevada (USA). Dublyansky and Smirnov (2005) [Dublyansky, Y.V., Smirnov, S.Z., 2005. Commentary: assessment of past infiltration fluxes through Yucca mountain on the basis of the secondary mineral record—is it a viable methodology? J. Contam. Hydrol. (this issue).] wrote a commentary paper to Marshall et al. (2003) [Marshall, B.D., Neymark, L.A., Peterman, Z.E., 2003. Estimation of past seepage volumes from calcite distribution in the Topopah Spring Tuff, Yucca Mountain, Nevada. J. Contam. Hydrol., 62–63, 237–247.] and Xu et al. (2003) [Xu, T., Sonnenthal, E., Bodvarsson, G., 2003. A reaction-transport model for calcite precipitation and evaluation of infiltration–percolation fluxes in unsaturated fractured rock. J. Contam. Hydrol., 64, 113–127.], containing two points: (1) questionable phenomenological model for the secondary mineral deposits and (2) inappropriate thermal boundary conditions. In this reply we address primarily the modeling approach by showing results of a sensitivity simulation regarding the effect of an elevated temperature history that approximates the temperature history inferred from fluid inclusions by Wilson et al. (2003) [Wilson, N.S.F., Cline, J.S., Amelin, Y.V., 2003. Origin, timing, and temperature of secondary calcite–silica mineral formation at Yucca Mountain, Nevada. Geochimica et Cosmochimica Acta, 67 (6), 1145–1184.]. Modeled calcite abundances using the time-varying temperature history are similar to the results for the steady-state ambient temperature profile (Xu, T., Sonnenthal, E., Bodvarsson, G., 2003. A reaction-transport model for calcite precipitation and evaluation of infiltration–percolation fluxes in unsaturated fractured rock. J. Contam. Hydrol., 64, 113–127), and are still consistent with the measured abundances at the proposed repository horizon. [Copyright &y& Elsevier]

Abstract: Two papers recently published in the Journal of Contaminant Hydrology by Marshall et al. [Marshall, B.D., Neymark, L.A., Peterman, Z.E., 2003. Estimation of past seepage volumes from calcite distribution in the Topopah Spring Tuff, Yucca Mountain, Nevada. J. Contam. Hydrol. 62–63, 237–247] and Xu et al. [Xu, T., Sonnenthal, E., Bodvarsson, G., 2003. A reaction–transport model for calcite precipitation and evaluation of infiltration fluxes in unsaturated fractured rock. J. Contam. Hydrol. 64, 113–127] attempt to assess past volumes of seepage and infiltration fluxes through the vadose zone of Yucca Mountain, Nevada, on the basis of the modeling of the spatial distribution of secondary calcite. In this commentary, we argue that the employed methodology is not viable. In addition, the thermal boundary conditions used in simulations do not correspond to the temperatures of the mineral forming fluids established on the basis of the fluid inclusion studies. [Copyright &y& Elsevier]

A weakly sorbing cation, lithium, will be used as a reactive tracer in upcoming field tracer tests in the saturated alluvium south of Yucca Mountain, Nevada. One objective of the field tests is to determine how well field-scale reactive transport can be predicted using transport parameters derived from laboratory experiments. This paper describes several laboratory lithium batch sorption and column transport experiments that were conducted using ground water and alluvium obtained from the site of the planned field tests. In the batch experiments, isotherms were determined over 2.5 orders of magnitude of lithium concentrations, corresponding to the range expected in the field tests. In addition to measuring equilibrium lithium concentrations, concentrations of other cations, namely Na+, K+, and Ca2+, were measured in the batch tests to determine Li+-exchangeable equilibria. This information was used in conjunction with alluvium cation exchange capacity measurements to parameterize a three-component cation-exchange model (EQUIL) that describes lithium sorption in the alluvium system. This model was then applied to interpret the transport behavior of lithium ion in saturated alluvium column tests conducted at three different lithium bromide injection concentrations. The concentrations were selected such that lithium ion either dominated, accounted for a little over half, or accounted for only a small fraction of the total cation equivalents in the injection solution. Although tracer breakthrough curves differed significantly under each of these conditions, with highly asymmetric responses occurring at the highest injection concentrations, the three-component cation-exchange model reproduced the observed transport behavior of lithium and the other cations in each case with a similar set of model parameters. In contrast, a linear Kd-type sorption model could only match the lithium responses at the lowest injection concentration. The three-component model will be used to interpret the field tests, with the expectation that it will help refine estimates of effective flow porosity, particularly if the lithium response curves are asymmetric. [Copyright &y& Elsevier]

This paper presents several different conceptual models of the Large Hydraulic Gradient (LHG) region north of Yucca Mountain and describes the impact of those models on groundwater flow near the potential high-level repository site. The results are based on a numerical model of site-scale saturated zone beneath Yucca Mountain. This model is used for performance assessment predictions of radionuclide transport and to guide future data collection and modeling activities. The numerical model is calibrated by matching available water level measurements using parameter estimation techniques, along with more informal comparisons of the model to hydrologic and geochemical information. The model software (hydrologic simulation code FEHM and parameter estimation software PEST) and model setup allows for efficient calibration of multiple conceptual models. Until now, the Large Hydraulic Gradient has been simulated using a low-permeability, east–west oriented feature, even though direct evidence for this feature is lacking. In addition to this model, we investigate and calibrate three additional conceptual models of the Large Hydraulic Gradient, all of which are based on a presumed zone of hydrothermal chemical alteration north of Yucca Mountain. After examining the heads and permeabilities obtained from the calibrated models, we present particle pathways from the potential repository that record differences in the predicted groundwater flow regime. The results show that Large Hydraulic Gradient can be represented with the alternate conceptual models that include the hydrothermally altered zone. The predicted pathways are mildly sensitive to the choice of the conceptual model and more sensitive to the quality of calibration in the vicinity on the repository. These differences are most likely due to different degrees of fit of model to data, and do not represent important differences in hydrologic conditions for the different conceptual models. [Copyright &y& Elsevier]

This paper presents a numerical study on the response of the unsaturated zone (UZ) system of Yucca Mountain to heat generated from decaying radioactive wastes emplaced at the proposed repository. The modeling study is based on the current thermal–hydrological (TH) mountain-scale model, which uses a locally refined 2D north–south cross-section and dual-permeability numerical approach. The model provides a prediction of the mountain-scale TH response under the thermal-load scenario of 1.45 kW/m, while accounting for future climatic changes and the effects of drift ventilation. The TH simulation results show that ventilation of the repository drifts has a large impact on thermal–hydrologic regimes and moisture-flow conditions at the repository. In both cases, with and without ventilation, the TH model predicts dry or reduced liquid saturation near the drifts for over 1000 years, during which liquid flux through the drifts is reduced to either zero or less than the ambient flux. Without ventilation, the model predicts higher temperatures at the repository, but no major moisture redistribution in the UZ except in the areas very near the heated drifts. [Copyright &y& Elsevier]

Performance assessment and design evaluation of the proposed repository at Yucca Mountain are facilitated by a thermohydrologic modeling tool that simultaneously accounts for processes occurring at a scale of a few tens of centimeters around individual waste packages and emplacement drifts, and accounts for processes at the multi-kilometer scale of the mountain. The most straightforward approach is to account for the 3-D drift- and mountain-scale dimensionality all within a single monolithic thermohydrologic model. This approach is too computationally expensive to be a viable simulation tool capable of addressing all waste-package locations in the repository. The Multiscale Thermohydrologic Model (MSTHM) is a computationally efficient alternative to addressing these modeling issues. In this paper, we describe the principal calculation stages to predict temperature, relative humidity, and liquid-saturation, as well as other thermohydrologic variables, in the drifts and in the host rock. Using a three-drift repository example (which is a scaled-down version of the proposed repository), we demonstrate the validity of the MSTHM approach against a nested monolithic thermohydrologic model. [Copyright &y& Elsevier]

This paper presents the application of parallel computing techniques to large-scale modeling of fluid flow in the unsaturated zone (UZ) at Yucca Mountain, Nevada. In this study, parallel computing techniques, as implemented into the TOUGH2 code, are applied in large-scale numerical simulations on a distributed-memory parallel computer. The modeling study has been conducted using an over-1-million-cell three-dimensional numerical model, which incorporates a wide variety of field data for the highly heterogeneous fractured formation at Yucca Mountain. The objective of this study is to analyze the impact of various surface infiltration scenarios (under current and possible future climates) on flow through the UZ system, using various hydrogeological conceptual models with refined grids. The results indicate that the 1-million-cell models produce better resolution results and reveal some flow patterns that cannot be obtained using coarse-grid modeling models. [Copyright &y& Elsevier]

A numerical model was used to simulate the flow and transport processes at the Busted Butte Field Test Site for the purpose of quantifying the effects of hydrogeologic conditions beneath the potential Yucca Mountain repository horizon. In situ experiments were conducted on a 10×10×7 m block comprising a layered Topopah Springs/Calico Hills formation with two imbedded faults. Tracer solution was continuously injected in eight parallel boreholes arranged on two horizontal planes. Twelve collection boreholes were emplaced perpendicular to the injection holes and were both horizontal and inclined. Solution samples were collected regularly using a sampling assembly consisting of an inverted membrane and sorbing-paper sampling pads. Comparisons between measurements and predictions show that, except for the occasional drops of concentrations observed in the field, the current model is able to capture the general characteristics of the system with varying levels of agreement using laboratory-measured mean hydraulic properties. Simulation results and field observations revealed a capillary-driven flow in the system. Good quantitative agreement is generally observed for near-field boreholes, however, this agreement deteriorates and the simulated solute concentration is underestimated at boreholes farther away from the injection points. Increasing the spatial resolution of the simulation improves the model predictions only to a limited extent. Scaling issues may need to be considered to describe flow and transport events, as the travel distance becomes large. [Copyright &y& Elsevier]