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A multirate mass transfer model to represent the interaction of multicomponent biogeochemical processes between surface water and hyporheic zones (SWAT-MRMT-R 1.0)

Geoscientific Model Development

Fang, Yilin; Chen, Xingyuan; Velez, Jesus G.; Zhang, Xuesong; Duan, Zhuoran; Hammond, Glenn E.; Goldman, Amy E.; Garayburu-Caruso, Vanessa A.; Graham, Emily B.

Surface water quality along river corridors can be modulated by hyporheic zones (HZs) that are ubiquitous and biogeochemically active. Watershed management practices often ignore the potentially important role of HZs as a natural reactor. To investigate the effect of hydrological exchange and biogeochemical processes on the fate of nutrients in surface water and HZs, a novel model, SWAT-MRMT-R, was developed coupling the Soil and Water Assessment Tool (SWAT) watershed model and the reaction module from a flow and reactive transport code (PFLOTRAN). SWAT-MRMT-R simulates concurrent nonlinear multicomponent biogeochemical reactions in both the channel water and its surrounding HZs, connecting the channel water and HZs through hyporheic exchanges using multirate mass transfer (MRMT) representation. Within the model, HZs are conceptualized as transient storage zones with distinguished exchange rates and residence times. The biogeochemical processes within HZs are different from those in the channel water. Hyporheic exchanges are modeled as multiple first-order mass transfers between the channel water and HZs. As a numerical example, SWAT-MRMT-R is applied to the Hanford Reach of the Columbia River, a large river in the United States, focusing on nitrate dynamics in the channel water. Major nitrate contaminants entering the Hanford Reach include those from the legacy waste, irrigation return flows (irrigation water that is not consumed by crops and runs off as point sources to the stream), and groundwater seepage resulting from irrigated agriculture. A two-step reaction sequence for denitrification and an aerobic respiration reaction is assumed to represent the biogeochemical transformations taking place within the HZs. The spatially variable hyporheic exchange rates and residence times in this example are estimated with the basin-scale Networks with EXchange and Subsurface Storage (NEXSS) model. Our simulation results show that (1), given a residence time distribution, how the exchange fluxes to HZs are approximated when using MRMT can significantly change the amount of nitrate consumption in HZs through denitrification and (2) source locations of nitrate have a different impact on surface water quality due to the spatially variable hyporheic exchanges.

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Progress in Deep Geologic Disposal Safety Assessment in the U.S. since 2010

Mariner, Paul M.; Connolly, Laura A.; Cunningham, Leigh C.; Debusschere, Bert D.; Dobson, David C.; Frederick, Jennifer M.; Hammond, Glenn E.; Jordan, Spencer H.; LaForce, Tara; Nole, Michael A.; Park, Heeho D.; Laros, James H.; Rogers, Ralph D.; Seidl, Daniel T.; Sevougian, Stephen D.; Stein, Emily S.; Swift, Peter N.; Swiler, Laura P.; Vo, Jonathan; Wallace, Michael G.

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). Two high priorities for SFWST disposal R&D are design concept development and disposal system modeling (DOE 2011, Table 6). These priorities are directly addressed in the SFWST Geologic Disposal Safety Assessment (GDSA) work package, which is charged with developing a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media.

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Dam Operations and Subsurface Hydrogeology Control Dynamics of Hydrologic Exchange Flows in a Regulated River Reach

Water Resources Research

Shuai, Pin; Chen, Xingyuan; Song, Xuehang; Hammond, Glenn E.; Zachara, John; Royer, Patrick; Ren, Huiying; Perkins, William A.; Richmond, Marshall C.; Huang, Maoyi

Hydrologic exchange flows (HEFs) across the river-aquifer interface have important implications for biogeochemical processes and contaminant plume migration in the river corridor, yet little is known about the hydrogeomorphic factors that control HEFs dynamics under dynamic flow conditions. Here, we developed a 3-D numerical model for a large regulated river corridor along the Columbia River to study how HEFs are controlled by the interplays between dam-regulated flow conditions and hydrogeomorphic features of such river corridor system. Our results revealed highly variable intra-annual spatiotemporal patterns in HEFs along the 75-km river reach, as well as strong interannual variability with larger exchange volumes in wet years than dry years. In general, the river was losing during late spring to early summer when the river stage was high, and river was gaining in fall and winter when river stage was low. The magnitude and timing of river stage fluctuations controlled the timing of high exchange rates. Both river channel geomorphology and the thickness of a highly permeable river bank geologic layer controlled the locations of exchange hot spots, while the latter played a dominant role. Dam-induced, subdaily to daily river stage fluctuations drove high-frequency variations in HEFs across the river-aquifer interfaces, resulting in greater overall exchange volumes as compared to the case without high-frequency flows. Our results demonstrated that upstream dam operations enhanced the exchange between river water and groundwater with strong potential influence on the associated biogeochemical processes and on the fate and transport of groundwater contaminant plumes in such river corridors.

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Using Bayesian Networks for Sensitivity Analysis of Complex Biogeochemical Models

Water Resources Research

Dai, Heng; Chen, Xingyuan; Ye, Ming; Song, Xuehang; Hammond, Glenn E.; Hu, Bill; Zachara, John M.

Sensitivity analysis is a vital tool in numerical modeling to identify important parameters and processes that contribute to the overall uncertainty in model outputs. We developed a new sensitivity analysis method to quantify the relative importance of uncertain model processes that contain multiple uncertain parameters. The method is based on the concepts of Bayesian networks (BNs) to account for complex hierarchical uncertainty structure of a model system. We derived a new set of sensitivity indices using the methodology of variance-based global sensitivity analysis with the Bayesian inference. The framework is capable of representing the detailed uncertainty information of a complex model system using BNs and affords flexible grouping of different uncertain inputs given their characteristics and dependency structures. We have implemented the method on a real-world biogeochemical model at the groundwater-surface water interface within the Hanford Site's 300 Area. The uncertainty sources of the model were first grouped into forcing scenario and three different processes based on our understanding of the complex system. The sensitivity analysis results indicate that both the reactive transport and groundwater flow processes are important sources of uncertainty for carbon-consumption predictions. Within the groundwater flow process, the structure of geological formations is more important than the permeability heterogeneity within a given geological formation. Our new sensitivity analysis framework based on BNs offers substantial flexibility for investigating the importance of combinations of interacting uncertainty sources in a hierarchical order, and it is expected to be applicable to a wide range of multiphysics models for complex systems.

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Benchmarking and QA testing in PFLOTRAN

International High-Level Radioactive Waste Management 2019, IHLRWM 2019

LaForce, Tara; Frederick, Jennifer M.; Hammond, Glenn E.; Stein, Emily S.; Marinella, Matthew J.

PFLOTRAN is well-established in single-phase reactive transport problems, and current research is expanding its visibility and capability in two-phase subsurface problems. A critical part of the development of simulation software is quality assurance (QA). The purpose of the present work is QA testing to verify the correct implementation and accuracy of two-phase flow models in PFLOTRAN. An important early step in QA is to verify the code against exact solutions from the literature. In this work a series of QA tests on models that have known analytical solutions are conducted using PFLOTRAN. In each case the simulated saturation profile is rigorously shown to converge to the exact analytical solution. These results verify the accuracy of PFLOTRAN for use in a wide variety of two-phase modelling problems with a high degree of nonlinearity in the interaction between phase behavior and fluid flow.

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Results 1–25 of 152
Results 1–25 of 152