Two-relaxation-time lattice Boltzmann method and its application to advective-diffusive-reactive transport

NASA Astrophysics Data System (ADS)

Yan, Zhifeng; Yang, Xiaofan; Li, Siliang; Hilpert, Markus

2017-11-01

The lattice Boltzmann method (LBM) based on single-relaxation-time (SRT) or multiple-relaxation-time (MRT) collision operators is widely used in simulating flow and transport phenomena. The LBM based on two-relaxation-time (TRT) collision operators possesses strengths from the SRT and MRT LBMs, such as its simple implementation and good numerical stability, although tedious mathematical derivations and presentations of the TRT LBM hinder its application to a broad range of flow and transport phenomena. This paper describes the TRT LBM clearly and provides a pseudocode for easy implementation. Various transport phenomena were simulated using the TRT LBM to illustrate its applications in subsurface environments. These phenomena include advection-diffusion in uniform flow, Taylor dispersion in a pipe, solute transport in a packed column, reactive transport in uniform flow, and bacterial chemotaxis in porous media. The TRT LBM demonstrated good numerical performance in terms of accuracy and stability in predicting these transport phenomena. Therefore, the TRT LBM is a powerful tool to simulate various geophysical and biogeochemical processes in subsurface environments.

Two-Relaxation-Time Lattice Boltzmann Method and its Application to Advective-Diffusive-Reactive Transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Zhifeng; Yang, Xiaofan; Li, Siliang

The lattice Boltzmann method (LBM) based on single-relaxation-time (SRT) or multiple-relaxation-time (MRT) collision operators is widely used in simulating flow and transport phenomena. The LBM based on two-relaxation-time (TRT) collision operators possesses strengths from the SRT and MRT LBMs, such as its simple implementation and good numerical stability, although tedious mathematical derivations and presentations of the TRT LBM hinder its application to a broad range of flow and transport phenomena. This paper describes the TRT LBM clearly and provides a pseudocode for easy implementation. Various transport phenomena were simulated using the TRT LBM to illustrate its applications in subsurface environments.more » These phenomena include advection-diffusion in uniform flow, Taylor dispersion in a pipe, solute transport in a packed column, reactive transport in uniform flow, and bacterial chemotaxis in porous media. Finally, the TRT LBM demonstrated good numerical performance in terms of accuracy and stability in predicting these transport phenomena. Therefore, the TRT LBM is a powerful tool to simulate various geophysical and biogeochemical processes in subsurface environments.« less

Imaging lateral groundwater flow in the shallow subsurface using stochastic temperature fields

NASA Astrophysics Data System (ADS)

Fairley, Jerry P.; Nicholson, Kirsten N.

2006-04-01

Although temperature has often been used as an indication of vertical groundwater movement, its usefulness for identifying horizontal fluid flow has been limited by the difficulty of obtaining sufficient data to draw defensible conclusions. Here we use stochastic simulation to develop a high-resolution image of fluid temperatures in the shallow subsurface at Borax Lake, Oregon. The temperature field inferred from the geostatistical simulations clearly shows geothermal fluids discharging from a group of fault-controlled hydrothermal springs, moving laterally through the subsurface, and mixing with shallow subsurface flow originating from nearby Borax Lake. This interpretation of the data is supported by independent geochemical and isotopic evidence, which show a simple mixing trend between Borax Lake water and discharge from the thermal springs. It is generally agreed that stochastic simulation can be a useful tool for extracting information from complex and/or noisy data and, although not appropriate in all situations, geostatistical analysis may provide good definition of flow paths in the shallow subsurface. Although stochastic imaging techniques are well known in problems involving transport of species, e.g. delineation of contaminant plumes from soil gas survey data, we are unaware of previous applications to the transport of thermal energy for the purpose of inferring shallow groundwater flow.

Corn stover harvest increases herbicide movement to subsurface drains - Root Zone Water Quality Model simulations.

PubMed

Shipitalo, Martin J; Malone, Robert W; Ma, Liwang; Nolan, Bernard T; Kanwar, Rameshwar S; Shaner, Dale L; Pederson, Carl H

2016-06-01

Crop residue removal for bioenergy production can alter soil hydrologic properties and the movement of agrochemicals to subsurface drains. The Root Zone Water Quality Model (RZWQM), previously calibrated using measured flow and atrazine concentrations in drainage from a 0.4 ha chisel-tilled plot, was used to investigate effects of 50 and 100% corn (Zea mays L.) stover harvest and the accompanying reductions in soil crust hydraulic conductivity and total macroporosity on transport of atrazine, metolachlor and metolachlor oxanilic acid (OXA). The model accurately simulated field-measured metolachlor transport in drainage. A 3 year simulation indicated that 50% residue removal reduced subsurface drainage by 31% and increased atrazine and metolachlor transport in drainage 4-5-fold when surface crust conductivity and macroporosity were reduced by 25%. Based on its measured sorption coefficient, approximately twofold reductions in OXA losses were simulated with residue removal. The RZWQM indicated that, if corn stover harvest reduces crust conductivity and soil macroporosity, losses of atrazine and metolachlor in subsurface drainage will increase owing to reduced sorption related to more water moving through fewer macropores. Losses of the metolachlor degradation product OXA will decrease as a result of the more rapid movement of the parent compound into the soil. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.

Integrating surrogate models into subsurface simulation framework allows computation of complex reactive transport scenarios

NASA Astrophysics Data System (ADS)

De Lucia, Marco; Kempka, Thomas; Jatnieks, Janis; Kühn, Michael

2017-04-01

Reactive transport simulations - where geochemical reactions are coupled with hydrodynamic transport of reactants - are extremely time consuming and suffer from significant numerical issues. Given the high uncertainties inherently associated with the geochemical models, which also constitute the major computational bottleneck, such requirements may seem inappropriate and probably constitute the main limitation for their wide application. A promising way to ease and speed-up such coupled simulations is achievable employing statistical surrogates instead of "full-physics" geochemical models [1]. Data-driven surrogates are reduced models obtained on a set of pre-calculated "full physics" simulations, capturing their principal features while being extremely fast to compute. Model reduction of course comes at price of a precision loss; however, this appears justified in presence of large uncertainties regarding the parametrization of geochemical processes. This contribution illustrates the integration of surrogates into the flexible simulation framework currently being developed by the authors' research group [2]. The high level language of choice for obtaining and dealing with surrogate models is R, which profits from state-of-the-art methods for statistical analysis of large simulations ensembles. A stand-alone advective mass transport module was furthermore developed in order to add such capability to any multiphase finite volume hydrodynamic simulator within the simulation framework. We present 2D and 3D case studies benchmarking the performance of surrogates and "full physics" chemistry in scenarios pertaining the assessment of geological subsurface utilization. [1] Jatnieks, J., De Lucia, M., Dransch, D., Sips, M.: "Data-driven surrogate model approach for improving the performance of reactive transport simulations.", Energy Procedia 97, 2016, p. 447-453. [2] Kempka, T., Nakaten, B., De Lucia, M., Nakaten, N., Otto, C., Pohl, M., Chabab [Tillner], E., Kühn, M.: "Flexible Simulation Framework to Couple Processes in Complex 3D Models for Subsurface Utilization Assessment.", Energy Procedia, 97, 2016 p. 494-501.

BLT-EC (Breach, Leach and Transport-Equilibrium Chemistry) data input guide. A computer model for simulating release and coupled geochemical transport of contaminants from a subsurface disposal facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

MacKinnon, R.J.; Sullivan, T.M.; Kinsey, R.R.

1997-05-01

The BLT-EC computer code has been developed, implemented, and tested. BLT-EC is a two-dimensional finite element computer code capable of simulating the time-dependent release and reactive transport of aqueous phase species in a subsurface soil system. BLT-EC contains models to simulate the processes (container degradation, waste-form performance, transport, chemical reactions, and radioactive production and decay) most relevant to estimating the release and transport of contaminants from a subsurface disposal system. Water flow is provided through tabular input or auxiliary files. Container degradation considers localized failure due to pitting corrosion and general failure due to uniform surface degradation processes. Waste-form performancemore » considers release to be limited by one of four mechanisms: rinse with partitioning, diffusion, uniform surface degradation, and solubility. Transport considers the processes of advection, dispersion, diffusion, chemical reaction, radioactive production and decay, and sources (waste form releases). Chemical reactions accounted for include complexation, sorption, dissolution-precipitation, oxidation-reduction, and ion exchange. Radioactive production and decay in the waste form is simulated. To improve the usefulness of BLT-EC, a pre-processor, ECIN, which assists in the creation of chemistry input files, and a post-processor, BLTPLOT, which provides a visual display of the data have been developed. BLT-EC also includes an extensive database of thermodynamic data that is also accessible to ECIN. This document reviews the models implemented in BLT-EC and serves as a guide to creating input files and applying BLT-EC.« less

Simulating pathways of subsurface oil in the Faroe-Shetland Channel using an ocean general circulation model.

PubMed

Main, C E; Yool, A; Holliday, N P; Popova, E E; Jones, D O B; Ruhl, H A

2017-01-15

Little is known about the fate of subsurface hydrocarbon plumes from deep-sea oil well blowouts and their effects on processes and communities. As deepwater drilling expands in the Faroe-Shetland Channel (FSC), oil well blowouts are a possibility, and the unusual ocean circulation of this region presents challenges to understanding possible subsurface oil pathways in the event of a spill. Here, an ocean general circulation model was used with a particle tracking algorithm to assess temporal variability of the oil-plume distribution from a deep-sea oil well blowout in the FSC. The drift of particles was first tracked for one year following release. Then, ambient model temperatures were used to simulate temperature-mediated biodegradation, truncating the trajectories of particles accordingly. Release depth of the modeled subsurface plumes affected both their direction of transport and distance travelled from their release location, and there was considerable interannual variability in transport. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Viral Tracer Studies Indicate Contamination of Marine Waters by Sewage Disposal Practices in Key Largo, Florida

PubMed Central

Paul, J. H.; Rose, J. B.; Brown, J.; Shinn, E. A.; Miller, S.; Farrah, S. R.

1995-01-01

Domestic wastewater disposal practices in the Florida Keys are primarily limited to on-site disposal systems such as septic tanks, injection wells, and illegal cesspits. Poorly treated sewage is thus released into the highly porous subsurface Key Largo limestone matrix. To investigate the fate and transport of sewage in the subsurface environment and the potential for contamination of marine surface waters, we employed bacteriophages as tracers in a domestic septic system and a simulated injection well in Key Largo, Florida. Transport of bacteriophage (Phi)HSIC-1 from the septic tank to adjacent surface canal waters and outstanding marine waters occurred in as little as 11 and 23 h, respectively. Transport of the Salmonella phage PRD1 from the simulated injection well to a canal adjacent to the injection site occurred in 11.2 h. Estimated rates of migration of viral tracers ranged from 0.57 to 24.2 m/h, over 500-fold greater than flow rates measured previously by subsurface flow meters in similar environments. These results suggest that current on-site disposal practices can lead to contamination of the subsurface and surface marine waters in the Keys. PMID:16535046

Viral tracer studies indicate contamination of marine waters by sewage disposal practices in key largo, Florida.

PubMed

Paul, J H; Rose, J B; Brown, J; Shinn, E A; Miller, S; Farrah, S R

1995-06-01

Domestic wastewater disposal practices in the Florida Keys are primarily limited to on-site disposal systems such as septic tanks, injection wells, and illegal cesspits. Poorly treated sewage is thus released into the highly porous subsurface Key Largo limestone matrix. To investigate the fate and transport of sewage in the subsurface environment and the potential for contamination of marine surface waters, we employed bacteriophages as tracers in a domestic septic system and a simulated injection well in Key Largo, Florida. Transport of bacteriophage (Phi)HSIC-1 from the septic tank to adjacent surface canal waters and outstanding marine waters occurred in as little as 11 and 23 h, respectively. Transport of the Salmonella phage PRD1 from the simulated injection well to a canal adjacent to the injection site occurred in 11.2 h. Estimated rates of migration of viral tracers ranged from 0.57 to 24.2 m/h, over 500-fold greater than flow rates measured previously by subsurface flow meters in similar environments. These results suggest that current on-site disposal practices can lead to contamination of the subsurface and surface marine waters in the Keys.

dfnWorks: A discrete fracture network framework for modeling subsurface flow and transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hyman, Jeffrey D.; Karra, Satish; Makedonska, Nataliia

DFNWORKS is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. Developed at Los Alamos National Laboratory over the past five years, it has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers. The networks are created and meshed using DFNGEN, which combines FRAM (the feature rejection algorithm for meshing) methodology to stochastically generate three-dimensional DFNs with the LaGriT meshing toolbox to create a high-quality computational mesh representation. The representation produces a conforming Delaunay triangulation suitable for high performance computing finite volume solvers in anmore » intrinsically parallel fashion. Flow through the network is simulated in dfnFlow, which utilizes the massively parallel subsurface flow and reactive transport finite volume code PFLOTRAN. A Lagrangian approach to simulating transport through the DFN is adopted within DFNTRANS to determine pathlines and solute transport through the DFN. Example applications of this suite in the areas of nuclear waste repository science, hydraulic fracturing and CO 2 sequestration are also included.« less

dfnWorks: A discrete fracture network framework for modeling subsurface flow and transport

DOE PAGES

Hyman, Jeffrey D.; Karra, Satish; Makedonska, Nataliia; ...

2015-11-01

DFNWORKS is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. Developed at Los Alamos National Laboratory over the past five years, it has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers. The networks are created and meshed using DFNGEN, which combines FRAM (the feature rejection algorithm for meshing) methodology to stochastically generate three-dimensional DFNs with the LaGriT meshing toolbox to create a high-quality computational mesh representation. The representation produces a conforming Delaunay triangulation suitable for high performance computing finite volume solvers in anmore » intrinsically parallel fashion. Flow through the network is simulated in dfnFlow, which utilizes the massively parallel subsurface flow and reactive transport finite volume code PFLOTRAN. A Lagrangian approach to simulating transport through the DFN is adopted within DFNTRANS to determine pathlines and solute transport through the DFN. Example applications of this suite in the areas of nuclear waste repository science, hydraulic fracturing and CO 2 sequestration are also included.« less

Parametric sensitivity analysis of leachate transport simulations at landfills.

PubMed

Bou-Zeid, E; El-Fadel, M

2004-01-01

This paper presents a case study in simulating leachate generation and transport at a 2000 ton/day landfill facility and assesses leachate migration away from the landfill in order to control associated environmental impacts, particularly on groundwater wells down gradient of the site. The site offers unique characteristics in that it is a former quarry converted to a landfill and is planned to have refuse depths that could reach 100 m, making it one of the deepest in the world. Leachate quantity and potential percolation into the subsurface are estimated using the Hydrologic Evaluation of Landfill Performance (HELP) model. A three-dimensional subsurface model (PORFLOW) was adopted to simulate ground water flow and contaminant transport away from the site. A comprehensive sensitivity analysis to leachate transport control parameters was also conducted. Sensitivity analysis suggests that changes in partition coefficient, source strength, aquifer hydraulic conductivity, and dispersivity have the most significant impact on model output indicating that these parameters should be carefully selected when similar modeling studies are performed. Copyright 2004 Elsevier Ltd.

THE DOE COMPLEX-WIDE VADOSE ZONE SCIENCE AND TECHNOLOGY ROADMAP: CHARACTERIZATION MODELING AND SIMULATION OF SUBSURFACE CONTAMINANT FATE AND TRANSPORT

EPA Science Inventory

The Idaho National Engineering & Environmental Lab (INEEL) was charged by DOE EM to develop a complex-wide science and technology roadmap for the characterization, modeling and simulation of the fate and transport of contamination in the vadose zone. Various types of hazardous, r...

Corn stover harvest increases herbicide movement to subsurface drains – Root Zone Water Quality Model simulations

USDA-ARS?s Scientific Manuscript database

BACKGROUND: Removal of crop residues for bioenergy production can alter soil hydrologic properties, but there is little information on its impact on transport of herbicides and their degradation products to subsurface drains. The Root Zone Water Quality Model, previously calibrated using measured fl...

Subsurface conditions in hydrothermal vents inferred from diffuse flow composition, and models of reaction and transport

NASA Astrophysics Data System (ADS)

Larson, B. I.; Houghton, J. L.; Lowell, R. P.; Farough, A.; Meile, C. D.

2015-08-01

Chemical gradients in the subsurface of mid-ocean ridge hydrothermal systems create an environment where minerals precipitate and dissolve and where chemosynthetic organisms thrive. However, owing to the lack of easy access to the subsurface, robust knowledge of the nature and extent of chemical transformations remains elusive. Here, we combine measurements of vent fluid chemistry with geochemical and transport modeling to give new insights into the under-sampled subsurface. Temperature-composition relationships from a geochemical mixing model are superimposed on the subsurface temperature distribution determined using a heat flow model to estimate the spatial distribution of fluid composition. We then estimate the distribution of Gibb's free energies of reaction beneath mid oceanic ridges and by combining flow simulations with speciation calculations estimate anhydrite deposition rates. Applied to vent endmembers observed at the fast spreading ridge at the East Pacific Rise, our results suggest that sealing times due to anhydrite formation are longer than the typical time between tectonic and magmatic events. The chemical composition of the neighboring low temperature flow indicates relatively uniform energetically favorable conditions for commonly inferred microbial processes such as methanogenesis, sulfate reduction and numerous oxidation reactions, suggesting that factors other than energy availability may control subsurface microbial biomass distribution. Thus, these model simulations complement fluid-sample datasets from surface venting and help infer the chemical distribution and transformations in subsurface flow.

A multiple-point geostatistical method for characterizing uncertainty of subsurface alluvial units and its effects on flow and transport

USGS Publications Warehouse

Cronkite-Ratcliff, C.; Phelps, G.A.; Boucher, A.

2012-01-01

This report provides a proof-of-concept to demonstrate the potential application of multiple-point geostatistics for characterizing geologic heterogeneity and its effect on flow and transport simulation. The study presented in this report is the result of collaboration between the U.S. Geological Survey (USGS) and Stanford University. This collaboration focused on improving the characterization of alluvial deposits by incorporating prior knowledge of geologic structure and estimating the uncertainty of the modeled geologic units. In this study, geologic heterogeneity of alluvial units is characterized as a set of stochastic realizations, and uncertainty is indicated by variability in the results of flow and transport simulations for this set of realizations. This approach is tested on a hypothetical geologic scenario developed using data from the alluvial deposits in Yucca Flat, Nevada. Yucca Flat was chosen as a data source for this test case because it includes both complex geologic and hydrologic characteristics and also contains a substantial amount of both surface and subsurface geologic data. Multiple-point geostatistics is used to model geologic heterogeneity in the subsurface. A three-dimensional (3D) model of spatial variability is developed by integrating alluvial units mapped at the surface with vertical drill-hole data. The SNESIM (Single Normal Equation Simulation) algorithm is used to represent geologic heterogeneity stochastically by generating 20 realizations, each of which represents an equally probable geologic scenario. A 3D numerical model is used to simulate groundwater flow and contaminant transport for each realization, producing a distribution of flow and transport responses to the geologic heterogeneity. From this distribution of flow and transport responses, the frequency of exceeding a given contaminant concentration threshold can be used as an indicator of uncertainty about the location of the contaminant plume boundary.

TRANSPORT AND SURVIVAL OF VIRUSES IN THE SUBSURFACE PROCESSES, EXPERIMENTS, AND SIMULATION MODELS

EPA Science Inventory

The remediation of ground water contaminated with waterborne pathogens, in particular with viruses, is based on their probable or actual ability to be transported from the source of origin to a point of withdrawal while maintaining the capacity to cause infections. The transport ...

Hydrology of the Bonneville Salt Flats, northwestern Utah, and simulation of ground-water flow and solute transport in the shallow-brine aquifer

USGS Publications Warehouse

Mason, James L.; Kipp, Kenneth L.

1998-01-01

This report describes the hydrologic system of the Bonneville Salt Flats with emphasis on the mechanisms of solute transport. Variable-density, three-dimensional computer simulations of the near-surface part of the ground-water system were done to quantify both the transport of salt dissolved in subsurface brine that leaves the salt-crust area and the salt dissolved and precipitated on the land surface. The study was designed to define the hydrology of the brine ground-water system and the natural and anthropogenic processes causing salt loss, and where feasible, to quantify these processes. Specific areas of study include the transport of salt in solution by ground-water flow and the transport of salt in solution by wind-driven ponds and the subsequent salt precipitation on the surface of the playa upon evaporation or seepage into the subsurface. In addition, hydraulic and chemical changes in the hydrologic system since previous studies were documented.

Discrete Fracture Network Modeling and Simulation of Subsurface Transport for the Topopah Springs and Lava Flow Aquifers at Pahute Mesa, FY 15 Progress Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makedonska, Nataliia; Kwicklis, Edward Michael; Birdsell, Kay Hanson

This progress report for fiscal year 2015 (FY15) describes the development of discrete fracture network (DFN) models for Pahute Mesa. DFN models will be used to upscale parameters for simulations of subsurface flow and transport in fractured media in Pahute Mesa. The research focuses on modeling of groundwater flow and contaminant transport using DFNs generated according to fracture characteristics observed in the Topopah Spring Aquifer (TSA) and the Lava Flow Aquifer (LFA). This work will improve the representation of radionuclide transport processes in large-scale, regulatory-focused models with a view to reduce pessimistic bounding approximations and provide more realistic contaminant boundarymore » calculations that can be used to describe the future extent of contaminated groundwater. Our goal is to refine a modeling approach that can translate parameters to larger-scale models that account for local-scale flow and transport processes, which tend to attenuate migration.« less

Reactive Transport Modeling of Induced Calcite Precipitation Reaction Fronts in Porous Media Using A Parallel, Fully Coupled, Fully Implicit Approach

NASA Astrophysics Data System (ADS)

Guo, L.; Huang, H.; Gaston, D.; Redden, G. D.; Fox, D. T.; Fujita, Y.

2010-12-01

Inducing mineral precipitation in the subsurface is one potential strategy for immobilizing trace metal and radionuclide contaminants. Generating mineral precipitates in situ can be achieved by manipulating chemical conditions, typically through injection or in situ generation of reactants. How these reactants transport, mix and react within the medium controls the spatial distribution and composition of the resulting mineral phases. Multiple processes, including fluid flow, dispersive/diffusive transport of reactants, biogeochemical reactions and changes in porosity-permeability, are tightly coupled over a number of scales. Numerical modeling can be used to investigate the nonlinear coupling effects of these processes which are quite challenging to explore experimentally. Many subsurface reactive transport simulators employ a de-coupled or operator-splitting approach where transport equations and batch chemistry reactions are solved sequentially. However, such an approach has limited applicability for biogeochemical systems with fast kinetics and strong coupling between chemical reactions and medium properties. A massively parallel, fully coupled, fully implicit Reactive Transport simulator (referred to as “RAT”) based on a parallel multi-physics object-oriented simulation framework (MOOSE) has been developed at the Idaho National Laboratory. Within this simulator, systems of transport and reaction equations can be solved simultaneously in a fully coupled, fully implicit manner using the Jacobian Free Newton-Krylov (JFNK) method with additional advanced computing capabilities such as (1) physics-based preconditioning for solution convergence acceleration, (2) massively parallel computing and scalability, and (3) adaptive mesh refinements for 2D and 3D structured and unstructured mesh. The simulator was first tested against analytical solutions, then applied to simulating induced calcium carbonate mineral precipitation in 1D columns and 2D flow cells as analogs to homogeneous and heterogeneous porous media, respectively. In 1D columns, calcium carbonate mineral precipitation was driven by urea hydrolysis catalyzed by urease enzyme, and in 2D flow cells, calcium carbonate mineral forming reactants were injected sequentially, forming migrating reaction fronts that are typically highly nonuniform. The RAT simulation results for the spatial and temporal distributions of precipitates, reaction rates and major species in the system, and also for changes in porosity and permeability, were compared to both laboratory experimental data and computational results obtained using other reactive transport simulators. The comparisons demonstrate the ability of RAT to simulate complex nonlinear systems and the advantages of fully coupled approaches, over de-coupled methods, for accurate simulation of complex, dynamic processes such as engineered mineral precipitation in subsurface environments.

TOUGHREACT: a new code of the TOUGH Family for Non-Isothermal multiphase reactive geochemical transport in variably saturated geologic media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas

Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of acid mine drainage remediation, waste disposal sites, hydrothermal convection, contaminant transport, and groundwater quality. We have developed a comprehensive numerical simulator, TOUGHREACT, which considers non-isothermal multi-component chemical transport in both liquid and gas phases. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The code can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity.

Depth dependency of neutron density produced by cosmic rays in the lunar subsurface

NASA Astrophysics Data System (ADS)

Ota, S.; Sihver, L.; Kobayashi, S.; Hasebe, N.

2014-11-01

Depth dependency of neutrons produced by cosmic rays (CRs) in the lunar subsurface was estimated using the three-dimensional Monte Carlo particle and heavy ion transport simulation code, PHITS, incorporating the latest high energy nuclear data, JENDL/HE-2007. The PHITS simulations of equilibrium neutron density profiles in the lunar subsurface were compared with the measurement by Apollo 17 Lunar Neutron Probe Experiment (LNPE). Our calculations reproduced the LNPE data except for the 350-400 mg/cm2 region under the improved condition using the CR spectra model based on the latest observations, well-tested nuclear interaction models with systematic cross section data, and JENDL/HE-2007.

Subsurface flow pathway dynamics in the active layer of coupled permafrost-hydrogeological systems under seasonal and annual temperature variability.

NASA Astrophysics Data System (ADS)

Frampton, Andrew

2017-04-01

There is a need for improved understanding of the mechanisms controlling subsurface solute transport in the active layer in order to better understand permafrost-hydrological-carbon feedbacks, in particular with regards to how dissolved carbon is transported in coupled surface and subsurface terrestrial arctic water systems under climate change. Studying solute transport in arctic systems is also relevant in the context of anthropogenic pollution which may increase due to increased activity in cold region environments. In this contribution subsurface solute transport subject to ground surface warming causing permafrost thaw and active layer change is studied using a physically based model of coupled cryotic and hydrogeological flow processes combined with a particle tracking method. Changes in subsurface water flows and solute transport travel times are analysed for different modelled geological configurations during a 100-year warming period. Results show that for all simulated cases, the minimum and mean travel times increase non-linearly with warming irrespective of geological configuration and heterogeneity structure. The timing of the start of increase in travel time depends on heterogeneity structure, combined with the rate of permafrost degradation that also depends on material thermal and hydrogeological properties. These travel time changes are shown to depend on combined warming effects of increase in pathway length due to deepening of the active layer, reduced transport velocities due to a shift from horizontal saturated groundwater flow near the surface to vertical water percolation deeper into the subsurface, and pathway length increase and temporary immobilization caused by cryosuction-induced seasonal freeze cycles. The impact these change mechanisms have on solute and dissolved substance transport is further analysed by integrating pathway analysis with a Lagrangian approach, incorporating considerations for both dissolved organic and inorganic carbon releases. Further model development challenges are also highlighted and discussed, including coupling between subsurface and surface runoff, soil deformations, as well as site applications and larger system scales.

NIGHTHAWK - A Program for Modeling Saturated Batch and Column Experiments Incorporating Equilibrium and Kinetic Biogeochemistry

EPA Science Inventory

NIGHTHAWK simulates the fate and transport of biogeochemically reactive contaminants in the saturated subsurface. Version 1.2 supports batch and one- dimensional advective-dispersive-reactive transport involving a number of biogeochemical processes, including: microbially-mediate...

Comparison of measured and simulated concentrations of 133Xe in the shallow subsurface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Christine M.; Biegalski, Steven R.; Lowre

2018-09-01

Radioactive isotopes of the noble gases xenon and argon are considered primary indicators of an underground nuclear explosion. However, high atmospheric concentrations from other anthropogenic sources may lead to an elevation in the underground levels of these gases, particularly in times of increasing atmospheric pressure. In 2014, a week long sampling campaign near Canadian Nuclear Laboratories in the Ottawa River Valley resulted in first of their kind measurements of atmospheric 133Xe that had been pressed into the subsurface. In an effort to better understand this imprinting process, a second follow-up sampling campaign was conducted in the same location in 2016.more » The results of the second sampling campaign, where samples were collected at depths of 1 and 2 meters over a 14 day period and measured for their 133Xe concentration, are presented here. Gas transport and sample concentrations were predicted using the Subsurface Transport over Multiple Phases (STOMP) simulator. These results are examined and compared to the corresponding experimental results.« less

Comparison of measured and simulated concentrations of 133 Xe in the shallow subsurface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, C.; Biegalski, S. R.; Lowrey, J. D.

Radioactive isotopes of the noble gases xenon and argon are considered primary indicators of an underground nuclear explosion. However, high atmospheric concentrations from other anthropogenic sources may lead to an elevation in the underground levels of these gases, particularly in times of increasing atmospheric pressure. In 2014, a week long sampling campaign near Canadian Nuclear Laboratories in the Ottawa River Valley resulted in first of their kind measurements of atmospheric 133Xe that had been pressed into the subsurface. In an effort to better understand this imprinting process, a second follow-up sampling campaign was conducted in the same location in 2016.more » The results of the second sampling campaign, where samples were collected at depths of 1 and 2 meters over a 14 day period and measured for their 133Xe concentration, are presented here. Gas transport and sample concentrations were predicted using the Subsurface Transport over Multiple Phases (STOMP) simulator. These results are examined and compared to the corresponding experimental results.« less

Coupling a three-dimensional subsurface flow and transport model with a land surface model to simulate stream-aquifer-land interactions (CP v1.0)

NASA Astrophysics Data System (ADS)

Bisht, Gautam; Huang, Maoyi; Zhou, Tian; Chen, Xingyuan; Dai, Heng; Hammond, Glenn E.; Riley, William J.; Downs, Janelle L.; Liu, Ying; Zachara, John M.

2017-12-01

A fully coupled three-dimensional surface and subsurface land model is developed and applied to a site along the Columbia River to simulate three-way interactions among river water, groundwater, and land surface processes. The model features the coupling of the Community Land Model version 4.5 (CLM4.5) and a massively parallel multiphysics reactive transport model (PFLOTRAN). The coupled model, named CP v1.0, is applied to a 400 m × 400 m study domain instrumented with groundwater monitoring wells along the Columbia River shoreline. CP v1.0 simulations are performed at three spatial resolutions (i.e., 2, 10, and 20 m) over a 5-year period to evaluate the impact of hydroclimatic conditions and spatial resolution on simulated variables. Results show that the coupled model is capable of simulating groundwater-river-water interactions driven by river stage variability along managed river reaches, which are of global significance as a result of over 30 000 dams constructed worldwide during the past half-century. Our numerical experiments suggest that the land-surface energy partitioning is strongly modulated by groundwater-river-water interactions through expanding the periodically inundated fraction of the riparian zone, and enhancing moisture availability in the vadose zone via capillary rise in response to the river stage change. Meanwhile, CLM4.5 fails to capture the key hydrologic process (i.e., groundwater-river-water exchange) at the site, and consequently simulates drastically different water and energy budgets. Furthermore, spatial resolution is found to significantly impact the accuracy of estimated the mass exchange rates at the boundaries of the aquifer, and it becomes critical when surface and subsurface become more tightly coupled with groundwater table within 6 to 7 meters below the surface. Inclusion of lateral subsurface flow influenced both the surface energy budget and subsurface transport processes as a result of river-water intrusion into the subsurface in response to an elevated river stage that increased soil moisture for evapotranspiration and suppressed available energy for sensible heat in the warm season. The coupled model developed in this study can be used for improving mechanistic understanding of ecosystem functioning and biogeochemical cycling along river corridors under historical and future hydroclimatic changes. The dataset presented in this study can also serve as a good benchmarking case for testing other integrated models.

Coupling a three-dimensional subsurface flow and transport model with a land surface model to simulate stream–aquifer–land interactions (CP v1.0)

DOE PAGES

Bisht, Gautam; Huang, Maoyi; Zhou, Tian; ...

2017-12-12

A fully coupled three-dimensional surface and subsurface land model is developed and applied to a site along the Columbia River to simulate three-way interactions among river water, groundwater, and land surface processes. The model features the coupling of the Community Land Model version 4.5 (CLM4.5) and a massively parallel multiphysics reactive transport model (PFLOTRAN). The coupled model, named CP v1.0, is applied to a 400 m × 400 m study domain instrumented with groundwater monitoring wells along the Columbia River shoreline. CP v1.0 simulations are performed at three spatial resolutions (i.e., 2, 10, and 20 m) over a 5-year periodmore » to evaluate the impact of hydroclimatic conditions and spatial resolution on simulated variables. Results show that the coupled model is capable of simulating groundwater–river-water interactions driven by river stage variability along managed river reaches, which are of global significance as a result of over 30 000 dams constructed worldwide during the past half-century. Our numerical experiments suggest that the land-surface energy partitioning is strongly modulated by groundwater–river-water interactions through expanding the periodically inundated fraction of the riparian zone, and enhancing moisture availability in the vadose zone via capillary rise in response to the river stage change. Meanwhile, CLM4.5 fails to capture the key hydrologic process (i.e., groundwater–river-water exchange) at the site, and consequently simulates drastically different water and energy budgets. Furthermore, spatial resolution is found to significantly impact the accuracy of estimated the mass exchange rates at the boundaries of the aquifer, and it becomes critical when surface and subsurface become more tightly coupled with groundwater table within 6 to 7 meters below the surface. Inclusion of lateral subsurface flow influenced both the surface energy budget and subsurface transport processes as a result of river-water intrusion into the subsurface in response to an elevated river stage that increased soil moisture for evapotranspiration and suppressed available energy for sensible heat in the warm season. The coupled model developed in this study can be used for improving mechanistic understanding of ecosystem functioning and biogeochemical cycling along river corridors under historical and future hydroclimatic changes. The dataset presented in this study can also serve as a good benchmarking case for testing other integrated models.« less

Coupling a three-dimensional subsurface flow and transport model with a land surface model to simulate stream–aquifer–land interactions (CP v1.0)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bisht, Gautam; Huang, Maoyi; Zhou, Tian

A fully coupled three-dimensional surface and subsurface land model is developed and applied to a site along the Columbia River to simulate three-way interactions among river water, groundwater, and land surface processes. The model features the coupling of the Community Land Model version 4.5 (CLM4.5) and a massively parallel multiphysics reactive transport model (PFLOTRAN). The coupled model, named CP v1.0, is applied to a 400 m × 400 m study domain instrumented with groundwater monitoring wells along the Columbia River shoreline. CP v1.0 simulations are performed at three spatial resolutions (i.e., 2, 10, and 20 m) over a 5-year period to evaluate themore » impact of hydroclimatic conditions and spatial resolution on simulated variables. Results show that the coupled model is capable of simulating groundwater–river-water interactions driven by river stage variability along managed river reaches, which are of global significance as a result of over 30 000 dams constructed worldwide during the past half-century. Our numerical experiments suggest that the land-surface energy partitioning is strongly modulated by groundwater–river-water interactions through expanding the periodically inundated fraction of the riparian zone, and enhancing moisture availability in the vadose zone via capillary rise in response to the river stage change. Meanwhile, CLM4.5 fails to capture the key hydrologic process (i.e., groundwater–river-water exchange) at the site, and consequently simulates drastically different water and energy budgets. Furthermore, spatial resolution is found to significantly impact the accuracy of estimated the mass exchange rates at the boundaries of the aquifer, and it becomes critical when surface and subsurface become more tightly coupled with groundwater table within 6 to 7 meters below the surface. Inclusion of lateral subsurface flow influenced both the surface energy budget and subsurface transport processes as a result of river-water intrusion into the subsurface in response to an elevated river stage that increased soil moisture for evapotranspiration and suppressed available energy for sensible heat in the warm season. The coupled model developed in this study can be used for improving mechanistic understanding of ecosystem functioning and biogeochemical cycling along river corridors under historical and future hydroclimatic changes. The dataset presented in this study can also serve as a good benchmarking case for testing other integrated models.« less

Coupling a three-dimensional subsurface flow and transport model with a land surface model to simulate stream–aquifer–land interactions (CP v1.0)

DOE PAGES

Bisht, Gautam; Huang, Maoyi; Zhou, Tian; ...

2017-01-01

A fully coupled three-dimensional surface and subsurface land model is developed and applied to a site along the Columbia River to simulate three-way interactions among river water, groundwater, and land surface processes. The model features the coupling of the Community Land Model version 4.5 (CLM4.5) and a massively parallel multiphysics reactive transport model (PFLOTRAN). The coupled model, named CP v1.0, is applied to a 400 m × 400 m study domain instrumented with groundwater monitoring wells along the Columbia River shoreline. CP v1.0 simulations are performed at three spatial resolutions (i.e., 2, 10, and 20 m) over a 5-year period to evaluate themore » impact of hydroclimatic conditions and spatial resolution on simulated variables. Results show that the coupled model is capable of simulating groundwater–river-water interactions driven by river stage variability along managed river reaches, which are of global significance as a result of over 30 000 dams constructed worldwide during the past half-century. Our numerical experiments suggest that the land-surface energy partitioning is strongly modulated by groundwater–river-water interactions through expanding the periodically inundated fraction of the riparian zone, and enhancing moisture availability in the vadose zone via capillary rise in response to the river stage change. Meanwhile, CLM4.5 fails to capture the key hydrologic process (i.e., groundwater–river-water exchange) at the site, and consequently simulates drastically different water and energy budgets. Furthermore, spatial resolution is found to significantly impact the accuracy of estimated the mass exchange rates at the boundaries of the aquifer, and it becomes critical when surface and subsurface become more tightly coupled with groundwater table within 6 to 7 meters below the surface. Inclusion of lateral subsurface flow influenced both the surface energy budget and subsurface transport processes as a result of river-water intrusion into the subsurface in response to an elevated river stage that increased soil moisture for evapotranspiration and suppressed available energy for sensible heat in the warm season. The coupled model developed in this study can be used for improving mechanistic understanding of ecosystem functioning and biogeochemical cycling along river corridors under historical and future hydroclimatic changes. The dataset presented in this study can also serve as a good benchmarking case for testing other integrated models.« less

Coupling a three-dimensional subsurface flow and transport model with a land surface model to simulate stream–aquifer–land interactions (CP v1.0)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bisht, Gautam; Huang, Maoyi; Zhou, Tian

A fully coupled three-dimensional surface and subsurface land model is developed and applied to a site along the Columbia River to simulate three-way interactions among river water, groundwater, and land surface processes. The model features the coupling of the Community Land Model version 4.5 (CLM4.5) and a massively parallel multiphysics reactive transport model (PFLOTRAN). The coupled model, named CP v1.0, is applied to a 400 m × 400 m study domain instrumented with groundwater monitoring wells along the Columbia River shoreline. CP v1.0 simulations are performed at three spatial resolutions (i.e., 2, 10, and 20 m) over a 5-year periodmore » to evaluate the impact of hydroclimatic conditions and spatial resolution on simulated variables. Results show that the coupled model is capable of simulating groundwater–river-water interactions driven by river stage variability along managed river reaches, which are of global significance as a result of over 30 000 dams constructed worldwide during the past half-century. Our numerical experiments suggest that the land-surface energy partitioning is strongly modulated by groundwater–river-water interactions through expanding the periodically inundated fraction of the riparian zone, and enhancing moisture availability in the vadose zone via capillary rise in response to the river stage change. Meanwhile, CLM4.5 fails to capture the key hydrologic process (i.e., groundwater–river-water exchange) at the site, and consequently simulates drastically different water and energy budgets. Furthermore, spatial resolution is found to significantly impact the accuracy of estimated the mass exchange rates at the boundaries of the aquifer, and it becomes critical when surface and subsurface become more tightly coupled with groundwater table within 6 to 7 meters below the surface. Inclusion of lateral subsurface flow influenced both the surface energy budget and subsurface transport processes as a result of river-water intrusion into the subsurface in response to an elevated river stage that increased soil moisture for evapotranspiration and suppressed available energy for sensible heat in the warm season. The coupled model developed in this study can be used for improving mechanistic understanding of ecosystem functioning and biogeochemical cycling along river corridors under historical and future hydroclimatic changes. The dataset presented in this study can also serve as a good benchmarking case for testing other integrated models.« less

Discriminative Random Field Models for Subsurface Contamination Uncertainty Quantification

NASA Astrophysics Data System (ADS)

Arshadi, M.; Abriola, L. M.; Miller, E. L.; De Paolis Kaluza, C.

2017-12-01

Application of flow and transport simulators for prediction of the release, entrapment, and persistence of dense non-aqueous phase liquids (DNAPLs) and associated contaminant plumes is a computationally intensive process that requires specification of a large number of material properties and hydrologic/chemical parameters. Given its computational burden, this direct simulation approach is particularly ill-suited for quantifying both the expected performance and uncertainty associated with candidate remediation strategies under real field conditions. Prediction uncertainties primarily arise from limited information about contaminant mass distributions, as well as the spatial distribution of subsurface hydrologic properties. Application of direct simulation to quantify uncertainty would, thus, typically require simulating multiphase flow and transport for a large number of permeability and release scenarios to collect statistics associated with remedial effectiveness, a computationally prohibitive process. The primary objective of this work is to develop and demonstrate a methodology that employs measured field data to produce equi-probable stochastic representations of a subsurface source zone that capture the spatial distribution and uncertainty associated with key features that control remediation performance (i.e., permeability and contamination mass). Here we employ probabilistic models known as discriminative random fields (DRFs) to synthesize stochastic realizations of initial mass distributions consistent with known, and typically limited, site characterization data. Using a limited number of full scale simulations as training data, a statistical model is developed for predicting the distribution of contaminant mass (e.g., DNAPL saturation and aqueous concentration) across a heterogeneous domain. Monte-Carlo sampling methods are then employed, in conjunction with the trained statistical model, to generate realizations conditioned on measured borehole data. Performance of the statistical model is illustrated through comparisons of generated realizations with the `true' numerical simulations. Finally, we demonstrate how these realizations can be used to determine statistically optimal locations for further interrogation of the subsurface.

CONTAMINANT TRANSPORT RESULTING FROM MULTICOMPONENT NONAQUEOUS PHASE LIQUID POOL DISSOLUTION IN THREE-DIMENSIONAL SUBSURFACE FORMATIONS (R823579)

EPA Science Inventory

A semi-analytical method for simulating transient contaminant transport originating from the dissolution of multicomponent nonaqueous phase liquid (NAPL) pools in three-dimensional, saturated, homogeneous porous media is presented. Each dissolved component may undergo first-order...

A Benchmarking Initiative for Reactive Transport Modeling Applied to Subsurface Environmental Applications

NASA Astrophysics Data System (ADS)

Steefel, C. I.

2015-12-01

Over the last 20 years, we have seen the evolution of multicomponent reactive transport modeling and the expanding range and increasing complexity of subsurface environmental applications it is being used to address. Reactive transport modeling is being asked to provide accurate assessments of engineering performance and risk for important issues with far-reaching consequences. As a result, the complexity and detail of subsurface processes, properties, and conditions that can be simulated have significantly expanded. Closed form solutions are necessary and useful, but limited to situations that are far simpler than typical applications that combine many physical and chemical processes, in many cases in coupled form. In the absence of closed form and yet realistic solutions for complex applications, numerical benchmark problems with an accepted set of results will be indispensable to qualifying codes for various environmental applications. The intent of this benchmarking exercise, now underway for more than five years, is to develop and publish a set of well-described benchmark problems that can be used to demonstrate simulator conformance with norms established by the subsurface science and engineering community. The objective is not to verify this or that specific code--the reactive transport codes play a supporting role in this regard—but rather to use the codes to verify that a common solution of the problem can be achieved. Thus, the objective of each of the manuscripts is to present an environmentally-relevant benchmark problem that tests the conceptual model capabilities, numerical implementation, process coupling, and accuracy. The benchmark problems developed to date include 1) microbially-mediated reactions, 2) isotopes, 3) multi-component diffusion, 4) uranium fate and transport, 5) metal mobility in mining affected systems, and 6) waste repositories and related aspects.

Modelling gas transport in the shallow subsurface in the Maguelone field experiment

NASA Astrophysics Data System (ADS)

Basirat, Farzad; Niemi, Auli; Perroud, Hervé; Lofi, Johanna; Denchik, Nataliya; Lods, Gérard; Pezard, Philippe; Sharma, Prabhakar; Fagerlund, Fritjof

2013-04-01

Developing reliable monitoring techniques to detect and characterize CO2 leakage in shallow subsurface is necessary for the safety of any GCS project. To test different monitoring techniques, shallow injection-monitoring experiment have and are being carried out at the Maguelone, along the Mediterranean lido of the Gulf of Lions, near Montpellier, France. This experimental site was developed in the context of EU FP7 project MUSTANG and is documented in Lofi et al. (2012). Gas injection experiments are being carried out and three techniques of pressure, electrical resistivity and seismic monitoring have been used to detect the nitrogen and CO2 release in the near surface environment. In the present work we use the multiphase and multicomponent TOUGH2/EOS7CA model to simulate the gaseous nitrogen and CO2 transport of the experiments carried out so far. The objective is both to gain understanding of the system performance based on the model analysis as well as to further develop and validate modelling approaches for gas transport in the shallow subsurface, against the well-controlled data sets. Numerical simulation can also be used for the prediction of experimental setup limitations. We expect the simulations to represent the breakthrough time for the different tested injection rates. Based on the hydrogeological formation data beneath the lido, we also expect the vertical heterogeneities in grain size distribution create an effective capillary barrier against upward gas transport in numerical simulations. Lofi J., Pezard P.A., Bouchette F., Raynal O., Sabatier P., Denchik N., Levannier A., Dezileau L., and Certain R. Integrated onshore-offshore geophysical investigation of a layered coastal aquifer, NW Mediterranean. Ground Water, (2012).

Scale-Dependent Solute Dispersion in Variably Saturated Porous Media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rockhold, Mark L.; Zhang, Z. F.; Bott, Yi-Ju

2016-03-29

This work was performed to support performance assessment (PA) calculations for the Integrated Disposal Facility (IDF) at the Hanford Site. PA calculations require defensible estimates of physical, hydraulic, and transport parameters to simulate subsurface water flow and contaminant transport in both the near- and far-field environments. Dispersivity is one of the required transport parameters.

Integrated surface/subsurface permafrost thermal hydrology: Model formulation and proof-of-concept simulations

DOE PAGES

Painter, Scott L.; Coon, Ethan T.; Atchley, Adam L.; ...

2016-08-11

The need to understand potential climate impacts and feedbacks in Arctic regions has prompted recent interest in modeling of permafrost dynamics in a warming climate. A new fine-scale integrated surface/subsurface thermal hydrology modeling capability is described and demonstrated in proof-of-concept simulations. The new modeling capability combines a surface energy balance model with recently developed three-dimensional subsurface thermal hydrology models and new models for nonisothermal surface water flows and snow distribution in the microtopography. Surface water flows are modeled using the diffusion wave equation extended to include energy transport and phase change of ponded water. Variation of snow depth in themore » microtopography, physically the result of wind scour, is also modeled heuristically with a diffusion wave equation. The multiple surface and subsurface processes are implemented by leveraging highly parallel community software. Fully integrated thermal hydrology simulations on the tilted open book catchment, an important test case for integrated surface/subsurface flow modeling, are presented. Fine-scale 100-year projections of the integrated permafrost thermal hydrological system on an ice wedge polygon at Barrow Alaska in a warming climate are also presented. Finally, these simulations demonstrate the feasibility of microtopography-resolving, process-rich simulations as a tool to help understand possible future evolution of the carbon-rich Arctic tundra in a warming climate.« less

On the effects of subsurface parameters on evaporite dissolution (Switzerland)

NASA Astrophysics Data System (ADS)

Zidane, Ali; Zechner, Eric; Huggenberger, Peter; Younes, Anis

2014-05-01

Uncontrolled subsurface evaporite dissolution could lead to hazards such as land subsidence. Observed subsidences in a study area of Northwestern Switzerland were mainly due to subsurface dissolution (subrosion) of evaporites such as halite and gypsum. A set of 2D density driven flow simulations were evaluated along 1000 m long and 150 m deep 2D cross sections within the study area that is characterized by tectonic horst and graben structures. The simulations were conducted to study the effect of the different subsurface parameters that could affect the dissolution process. The heterogeneity of normal faults and its impact on the dissolution of evaporites is studied by considering several permeable faults that include non-permeable areas. The mixed finite element method (MFE) is used to solve the flow equation, coupled with the multipoint flux approximation (MPFA) and the discontinuous Galerkin method (DG) to solve the diffusion and the advection parts of the transport equation.

THC-MP: High performance numerical simulation of reactive transport and multiphase flow in porous media

NASA Astrophysics Data System (ADS)

Wei, Xiaohui; Li, Weishan; Tian, Hailong; Li, Hongliang; Xu, Haixiao; Xu, Tianfu

2015-07-01

The numerical simulation of multiphase flow and reactive transport in the porous media on complex subsurface problem is a computationally intensive application. To meet the increasingly computational requirements, this paper presents a parallel computing method and architecture. Derived from TOUGHREACT that is a well-established code for simulating subsurface multi-phase flow and reactive transport problems, we developed a high performance computing THC-MP based on massive parallel computer, which extends greatly on the computational capability for the original code. The domain decomposition method was applied to the coupled numerical computing procedure in the THC-MP. We designed the distributed data structure, implemented the data initialization and exchange between the computing nodes and the core solving module using the hybrid parallel iterative and direct solver. Numerical accuracy of the THC-MP was verified through a CO2 injection-induced reactive transport problem by comparing the results obtained from the parallel computing and sequential computing (original code). Execution efficiency and code scalability were examined through field scale carbon sequestration applications on the multicore cluster. The results demonstrate successfully the enhanced performance using the THC-MP on parallel computing facilities.

Understanding Subsurface Colloid Behavior: A New Visualization Technique and the Application of Geo-Centrifuge Modeling

NASA Astrophysics Data System (ADS)

Yoon, J. S.; Culligan, P. J.; Germaine, J. T.

2003-12-01

Subsurface colloid behavior has recently drawn attention because colloids are suspected of enhancing contaminant transport in groundwater systems. To better understand the processes by which colloids move through the subsurface, and in particular the vadose zone, a new technique that enables real-time visualization of colloid particles as they move through a porous medium has been developed. This visualization technique involves the use of laser induced fluorescent particles and digital image processing to directly observe particles moving through a porous medium consisting of soda-lime glass beads and water in a transparent experimental box of 10.0cm\\x9D27.9cm\\x9D2.38cm. Colloid particles are simulated using commercially available micron sized particles that fluoresce under argon-ion laser light. The fluorescent light given off from the particles is captured through a camera filter, which lets through only the emitted wavelength of the colloid particles. The intensity of the emitted light is proportional to the colloid particle concentration. The images of colloid movement are captured by a MagnaFire digital camera; a cooled CCD digital camera produced by Optronics. This camera enables real-time capture of images to a computer, thereby allowing the images to be processed immediately. The images taken by the camera are analyzed by the ImagePro software from Media Cybernetics, which contains a range of counting, sizing, measuring, and image enhancement tools for image processing. Laboratory experiments using the new technique have demonstrated the existence of both irreversible and reversible sites for colloid entrapment during uniform saturated flow in a homogeneous porous medium. These tests have also shown a dependence of colloid entrapment on velocity. Models for colloid transport currently available in the literature have proven to be inadequate predictors for the experimental observations, despite the simplicity of the system studied. To further extend the work, the visualization technique has been developed for use on the geo-centrifuge. The advantage that the geo-centrifuge has for investigating subsurface colloid behavior, is the ability to simulate unsaturated transport mechanisms under well simulated field moisture profiles and in shortened periods of time. A series of tests to investigate colloid transport during uniform saturated flow is being used to examine basic scaling laws for colloid transport under enhanced gravity. The paper will describe the new visualization technique, its use in geo-centrifuge testing and observations on scaling relationships for colloid transport during geo-centrifuge experiments. Although the visualization technique has been developed for investigating subsurface colloid behavior, it does have application in other areas of investigation, including the investigation of microbial behavior in the subsurface.

Further influence of the eastern boundary on the seasonal variability of the Atlantic Meridional Overturning Circulation at 26N

NASA Astrophysics Data System (ADS)

Baehr, Johanna; Schmidt, Christian

2016-04-01

The seasonal cycle of the Atlantic Meridional Overturning Circulation (AMOC) at 26.5 N has been shown to arise predominantly from sub-surface density variations at the Eastern boundary. Here, we suggest that these sub-surface density variations have their origin in the seasonal variability of the Canary Current system, in particular the Poleward Undercurrent (PUC). We use a high-resolution ocean model (STORM) for which we show that the seasonal variability resembles observations for both sub-surface density variability and meridional transports. In particular, the STORM model simulation density variations at the eastern boundary show seasonal variations reaching down to well over 1000m, a pattern that most model simulations systematically underestimate. We find that positive wind stress curl anomalies in late summer and already within one degree off the eastern boundary result -through water column stretching- in strong transport anomlies in PUC in fall, coherent down to 1000m depth. Simultaneously with a westward propagation of these transport anomalies, we find in winter a weak PUC between 200 m and 500m, and southward transports between 600m and 1300m. This variability is in agreement with the observationally-based suggestion of a seasonal reversal of the meridional transports at intermediate depths. Our findings extend earlier studies which suggested that the seasonal variability at of the meridional transports across 26N is created by changes in the basin-wide thermocline through wind-driven upwelling at the eastern boundary analyzing wind stress curl anomalies 2 degrees off the eastern boundary. Our results suggest that the investigation of AMOC variability and particular its seasonal cycle modulations require the analysis of boundary wind stress curl and the upper ocean transports within 1 degree off the eastern boundary. These findings also implicate that without high-resolution coverage of the eastern boundary, coarser model simulation might not fully represent the AMOC's seasonal variability.

PFLOTRAN-E4D: A parallel open source PFLOTRAN module for simulating time-lapse electrical resistivity data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Timothy C.; Hammond, Glenn E.; Chen, Xingyuan

Time-lapse electrical resistivity tomography (ERT) is finding increased application for remotely monitoring processes occurring in the near subsurface in three-dimensions (i.e. 4D monitoring). However, there are few codes capable of simulating the evolution of subsurface resistivity and corresponding tomographic measurements arising from a particular process, particularly in parallel and with an open source license. Herein we describe and demonstrate an electrical resistivity tomography module for the PFLOTRAN subsurface flow and reactive transport simulation code, named PFLOTRAN-E4D. The PFLOTRAN-E4D module operates in parallel using a dedicated set of compute cores in a master-slave configuration. At each time step, the master processesmore » receives subsurface states from PFLOTRAN, converts those states to bulk electrical conductivity, and instructs the slave processes to simulate a tomographic data set. The resulting multi-physics simulation capability enables accurate feasibility studies for ERT imaging, the identification of the ERT signatures that are unique to a given process, and facilitates the joint inversion of ERT data with hydrogeological data for subsurface characterization. PFLOTRAN-E4D is demonstrated herein using a field study of stage-driven groundwater/river water interaction ERT monitoring along the Columbia River, Washington, USA. Results demonstrate the complex nature of subsurface electrical conductivity changes, in both the saturated and unsaturated zones, arising from river stage fluctuations and associated river water intrusion into the aquifer. Furthermore, the results also demonstrate the sensitivity of surface based ERT measurements to those changes over time.« less

PFLOTRAN-E4D: A parallel open source PFLOTRAN module for simulating time-lapse electrical resistivity data

DOE PAGES

Johnson, Timothy C.; Hammond, Glenn E.; Chen, Xingyuan

2016-09-22

Time-lapse electrical resistivity tomography (ERT) is finding increased application for remotely monitoring processes occurring in the near subsurface in three-dimensions (i.e. 4D monitoring). However, there are few codes capable of simulating the evolution of subsurface resistivity and corresponding tomographic measurements arising from a particular process, particularly in parallel and with an open source license. Herein we describe and demonstrate an electrical resistivity tomography module for the PFLOTRAN subsurface flow and reactive transport simulation code, named PFLOTRAN-E4D. The PFLOTRAN-E4D module operates in parallel using a dedicated set of compute cores in a master-slave configuration. At each time step, the master processesmore » receives subsurface states from PFLOTRAN, converts those states to bulk electrical conductivity, and instructs the slave processes to simulate a tomographic data set. The resulting multi-physics simulation capability enables accurate feasibility studies for ERT imaging, the identification of the ERT signatures that are unique to a given process, and facilitates the joint inversion of ERT data with hydrogeological data for subsurface characterization. PFLOTRAN-E4D is demonstrated herein using a field study of stage-driven groundwater/river water interaction ERT monitoring along the Columbia River, Washington, USA. Results demonstrate the complex nature of subsurface electrical conductivity changes, in both the saturated and unsaturated zones, arising from river stage fluctuations and associated river water intrusion into the aquifer. Furthermore, the results also demonstrate the sensitivity of surface based ERT measurements to those changes over time.« less

Simulation and validation of concentrated subsurface lateral flow paths in an agricultural landscape

NASA Astrophysics Data System (ADS)

Zhu, Q.; Lin, H. S.

2009-08-01

The importance of soil water flow paths to the transport of nutrients and contaminants has long been recognized. However, effective means of detecting concentrated subsurface flow paths in a large landscape are still lacking. The flow direction and accumulation algorithm based on single-direction flow algorithm (D8) in GIS hydrologic modeling is a cost-effective way to simulate potential concentrated flow paths over a large area once relevant data are collected. This study tested the D8 algorithm for simulating concentrated lateral flow paths at three interfaces in soil profiles in a 19.5-ha agricultural landscape in central Pennsylvania, USA. These interfaces were (1) the interface between surface plowed layers of Ap1 and Ap2 horizons, (2) the interface with subsoil water-restricting clay layer where clay content increased to over 40%, and (3) the soil-bedrock interface. The simulated flow paths were validated through soil hydrologic monitoring, geophysical surveys, and observable soil morphological features. The results confirmed that concentrated subsurface lateral flow occurred at the interfaces with the clay layer and the underlying bedrock. At these two interfaces, the soils on the simulated flow paths were closer to saturation and showed more temporally unstable moisture dynamics than those off the simulated flow paths. Apparent electrical conductivity in the soil on the simulated flow paths was elevated and temporally unstable as compared to those outside the simulated paths. The soil cores collected from the simulated flow paths showed significantly higher Mn content at these interfaces than those away from the simulated paths. These results suggest that (1) the D8 algorithm is useful in simulating possible concentrated subsurface lateral flow paths if used with appropriate threshold value of contributing area and sufficiently detailed digital elevation model (DEM); (2) repeated electromagnetic surveys can reflect the temporal change of soil water storage and thus is a useful indicator of possible subsurface flow path over a large area; and (3) observable Mn distribution in soil profiles can be used as a simple indicator of water flow paths in soils and over the landscape; however, it does require sufficient soil sampling (by excavation or augering) to possibly infer landscape-scale subsurface flow paths. In areas where subsurface interface topography varies similarly with surface topography, surface DEM can be used to simulate potential subsurface lateral flow path reasonably so the cost associated with obtaining depth to subsurface water-restricting layer can be minimized.

Transient simulations of nitrogen load for a coastal aquifer and embayment, Cape Cod, MA

USGS Publications Warehouse

Colman, J.A.; Masterson, J.P.

2008-01-01

A time-varying, multispecies, modular, three-dimensional transport model (MT3DMS) was developed to simulate groundwater transport of nitrogen from increasing sources on land to the shore of Nauset Marsh, a coastal embayment of the Cape Cod National Seashore. Simulated time-dependent nitrogen loads at the coast can be used to correlate with current observed coastal eutrophic effects, to predict current and ultimate effects of development, and to predict loads resulting from source remediation. A time-varying nitrogen load, corrected for subsurface loss, was applied to the land subsurface in the transport model based on five land-use coverages documenting increasing development from 1951 to 1999. Simulated nitrogen loads to Nauset Marsh increased from 230 kg/yr before 1930 to 4390 kg/yr in 2001 to 7130 kg/yr in 2100, assuming future nitrogen sources constant at the 1999 land-use rate. The simulated nitrogen load per area of embayment was 5 times greater for Salt Pond, a eutrophic landward extension of Nauset Marsh, than for other Nauset Marsh areas. Sensitivity analysis indicated that load results were little affected by changes in vertical discretization and annual recharge but much affected by the nitrogen loss rate assumed for a kettle lake downgradient from a landfill.

Sediment transport simulation in an armoured stream

USGS Publications Warehouse

Milhous, Robert T.; Bradley, Jeffrey B.; Loeffler, Cindy L.

1986-01-01

Improved methods of calculating bed material stability and transport must be developed for a gravel bed stream having an armoured surface in order to use the HEC-6 model to examine channel change. Good possibilities exist for use of a two layer model based on the Schoklitsch and the Einstein-Brown transport equations. In Einstein-Brown the D35 of the armour is used for stabilities and the D50 of the bed (sub-surface) is used for transport. Data on the armour and sub-surface size distribution needs to be obtained as part of a bed material study in a gravel bed river; a "shovel" sample is not adequate. The Meyer-Peter, Muller equation should not be applied to a gravel bed stream with an armoured surface to estimate the initiation of transport or for calculation of transport at low effective bed shear stress.

Geoelectrical monitoring of simulated subsurface leakage to support high-hazard nuclear decommissioning at the Sellafield Site, UK.

PubMed

Kuras, Oliver; Wilkinson, Paul B; Meldrum, Philip I; Oxby, Lucy S; Uhlemann, Sebastian; Chambers, Jonathan E; Binley, Andrew; Graham, James; Smith, Nicholas T; Atherton, Nick

2016-10-01

A full-scale field experiment applying 4D (3D time-lapse) cross-borehole Electrical Resistivity Tomography (ERT) to the monitoring of simulated subsurface leakage was undertaken at a legacy nuclear waste silo at the Sellafield Site, UK. The experiment constituted the first application of geoelectrical monitoring in support of decommissioning work at a UK nuclear licensed site. Images of resistivity changes occurring since a baseline date prior to the simulated leaks revealed likely preferential pathways of silo liquor simulant flow in the vadose zone and upper groundwater system. Geophysical evidence was found to be compatible with historic contamination detected in permeable facies in sediment cores retrieved from the ERT boreholes. Results indicate that laterally discontinuous till units forming localized hydraulic barriers substantially affect flow patterns and contaminant transport in the shallow subsurface at Sellafield. We conclude that only geophysical imaging of the kind presented here has the potential to provide the detailed spatial and temporal information at the (sub-)meter scale needed to reduce the uncertainty in models of subsurface processes at nuclear sites. Copyright © 2016 British Geological Survey, NERC. Published by Elsevier B.V. All rights reserved.

Examining Changes in Radioxenon Isotope Activity Ratios during Subsurface Transport

NASA Astrophysics Data System (ADS)

Annewandter, Robert

2014-05-01

The Non-Proliferation Experiment (NPE) has demonstrated and modelled the usefulness of barometric pumping induced gas transport and subsequent soil gas sampling during On-Site inspections. Generally, gas transport has been widely studied with different numerical codes. However, gas transport of radioxenons and radioiodines in the post-detonation regime and their possible fractionation is still neglected in the open peer-reviewed literature. Atmospheric concentrations of the radioxenons Xe-135, Xe-133m, Xe-133 and Xe-131m can be used to discriminate between civilian releases (nuclear power plants or medical isotope facilities), and nuclear explosion sources. It is based on the multiple isotopic activity ratio method. Yet it is not clear whether subsurface migration of the radionuclides, with eventual release into the atmosphere, can affect the activity ratios due to fractionation. Fractionation can be caused by different mass diffusivities due to mass differences between the radionuclides. Cyclical changes in atmospheric pressure can drive subsurface gas transport. This barometric pumping phenomenon causes an oscillatoric flow in upward trending fractures or highly conductive faults which, combined with diffusion into the porous matrix, leads to a net transport of gaseous components - a so-called ratcheting effect. We use a general purpose reservoir simulator (Complex System Modelling Platform, CSMP++) which is recognized by the oil industry as leading in Discrete Fracture-Matrix (DFM) simulations. It has been applied in a range of fields such as deep geothermal systems, three-phase black oil simulations, fracture propagation in fractured, porous media, and Navier-Stokes pore-scale modelling among others. It is specifically designed to account for structurally complex geologic situation of fractured, porous media. Parabolic differential equations are solved by a continuous Galerkin finite-element method, hyperbolic differential equations by a complementary finite volume method. The parabolic and hyperbolic problem can be solved separately by operator-splitting. The resulting system of linear equations is solved by the algebraic multigrid library SAMG, developed at the Fraunhofer Institute for Algorithms and Scientific Computing, Germany. CSMP++ is developed at Montan University of Leoben, ETH Zuerich, Imperial College London and Heriot-Watt University in Edinburgh. This study examines barometric pumping-driven subsurface transport of Xe-135, Xe-133m, Xe-133, Xe-131m including I-131, I-133 and I-135 on arrival times and isotopic activity ratios. This work was funded by the CTBTO Research Award for Young Scientist and Engineers (2013).

Effects of tillage and application rate on atrazine transport to subsurface drainage: Evaluation of RZWQM using a six-year field study

USGS Publications Warehouse

Malone, Robert W.; Nolan, Bernard T.; Ma, Liwang; Kanwar, Rameshwar S.; Pederson, Carl H.; Heilman, Philip

2014-01-01

Well tested agricultural system models can improve our understanding of the water quality effects of management practices under different conditions. The Root Zone Water Quality Model (RZWQM) has been tested under a variety of conditions. However, the current model's ability to simulate pesticide transport to subsurface drain flow over a long term period under different tillage systems and application rates is not clear. Therefore, we calibrated and tested RZWQM using six years of data from Nashua, Iowa. In this experiment, atrazine was spring applied at 2.8 (1990–1992) and 0.6 kg/ha/yr (1993–1995) to two 0.4 ha plots with different tillage (till and no-till). The observed and simulated average annual flow weighted atrazine concentrations (FWAC) in subsurface drain flow from the no-till plot were 3.7 and 3.2 μg/L, respectively for the period with high atrazine application rates, and 0.8 and 0.9 μg/L, respectively for the period with low application rates. The 1990–1992 observed average annual FWAC difference between the no-till and tilled plot was 2.4 μg/L while the simulated difference was 2.1 μg/L. These observed and simulated differences for 1993–1995 were 0.1 and 0.1 μg/L, respectively. The Nash–Sutcliffe model performance statistic (EF) for cumulative atrazine flux to subsurface drain flow was 0.93 for the no-till plot testing years (1993–1995), which is comparable to other recent model tests. The value of EF is 1.0 when simulated data perfectly match observed data. The order of selected parameter sensitivity for RZWQM simulated FWAC was atrazine partition coefficient > number of macropores > atrazine half life in soil > soil hydraulic conductivity. Simulations from 1990 to 1995 with four different atrazine application rates applied at a constant rate throughout the simulation period showed concentrations in drain flow for the no-till plot to be twice those of the tilled plot. The differences were more pronounced in the early simulation period (1990–1992), partly because of the characteristics of macropore flow during large storms. The results suggest that RZWQM is a promising tool to study pesticide transport to subsurface drain flow under different tillage systems and application rates over several years, the concentrations of atrazine in drain flow can be higher with no-till than tilled soil over a range of atrazine application rates, and atrazine concentrations in drain flow are sensitive to the macropore flow characteristics under different tillage systems and rainfall timing and intensity.

Impacts of preferential flow on coastal groundwater-surface water interactions: The heterogeneous volcanic aquifer of Hawaii

NASA Astrophysics Data System (ADS)

Geng, X.; Kreyns, P.; Koneshloo, M.; Michael, H. A.

2017-12-01

Groundwater flow and salt transport processes are important for protection of coastal water resources and ecosystems. Geological heterogeneity has been recognized as a key factor affecting rates and patterns of groundwater flow and the evolution of subsurface salinity distributions in coastal aquifers. The hydrogeologic system of the volcanic Hawaiian Islands is characterized by lava flows that can form continuous, connected geologic structures in subsurface. Understanding the role of geological heterogeneity in aquifer salinization and water exchange between aquifers and the ocean is essential for effective assessment and management of water resources in the Hawaii islands. In this study, surface-based geostatistical techniques were adopted to generate geologically-realistic, statistically equivalent model realizations of the hydrogeologic system on the Big Island of Hawaii. The density-dependent groundwater flow and solute transport code SEAWAT was used to perform 3D simulations to investigate subsurface flow and salt transport through these random realizations. Flux across the aquifer-ocean interface, aquifer salinization, and groundwater flow pathways and associated transit times were quantified. Numerical simulations of groundwater pumping at various positions in the aquifers were also conducted, and associated impacts on saltwater intrusion rates were evaluated. Results indicate the impacts of continuous geologic features on large-scale groundwater processes in coastal aquifers.

Design and testing of a process-based groundwater vulnerability assessment (P-GWAVA) system for predicting concentrations of agrichemicals in groundwater across the United States

USGS Publications Warehouse

Barbash, Jack E; Voss, Frank D.

2016-03-29

Efforts to assess the likelihood of groundwater contamination from surface-derived compounds have spanned more than three decades. Relatively few of these assessments, however, have involved the use of process-based simulations of contaminant transport and fate in the subsurface, or compared the predictions from such models with measured data—especially over regional to national scales. To address this need, a process-based groundwater vulnerability assessment (P-GWAVA) system was constructed to use transport-and-fate simulations to predict the concentration of any surface-derived compound at a specified depth in the vadose zone anywhere in the conterminous United States. The system was then used to simulate the concentrations of selected agrichemicals in the vadose zone beneath agricultural areas in multiple locations across the conterminous United States. The simulated concentrations were compared with measured concentrations of the compounds detected in shallow groundwater (that is, groundwater drawn from within a depth of 6.3 ± 0.5 meters [mean ± 95 percent confidence interval] below the water table) in more than 1,400 locations across the United States. The results from these comparisons were used to select the simulation approaches that led to the closest agreement between the simulated and the measured concentrations.The P-GWAVA system uses computer simulations that account for a broader range of the hydrologic, physical, biological and chemical phenomena known to control the transport and fate of solutes in the subsurface than has been accounted for by any other vulnerability assessment over regional to national scales. Such phenomena include preferential transport and the influences of temperature, soil properties, and depth on the partitioning, transport, and transformation of pesticides in the subsurface. Published methods and detailed soil property data are used to estimate a wide range of model input parameters for each site, including surface albedo, surface crust permeability, soil water content, Brooks-Corey parameters, saturated hydraulic conductivity, macroporosity and sizes of microbial populations, as well as solute partition coefficients, reaction rates, and meso-micropore diffusion rates. To ensure geographic consistency among the predictions, the only site-specific input data that are used are those that are available for all of the 48 conterminous states.

Integrating Geochemical Reactions with a Particle-Tracking Approach to Simulate Nitrogen Transport and Transformation in Aquifers

NASA Astrophysics Data System (ADS)

Cui, Z.; Welty, C.; Maxwell, R. M.

2011-12-01

Lagrangian, particle-tracking models are commonly used to simulate solute advection and dispersion in aquifers. They are computationally efficient and suffer from much less numerical dispersion than grid-based techniques, especially in heterogeneous and advectively-dominated systems. Although particle-tracking models are capable of simulating geochemical reactions, these reactions are often simplified to first-order decay and/or linear, first-order kinetics. Nitrogen transport and transformation in aquifers involves both biodegradation and higher-order geochemical reactions. In order to take advantage of the particle-tracking approach, we have enhanced an existing particle-tracking code SLIM-FAST, to simulate nitrogen transport and transformation in aquifers. The approach we are taking is a hybrid one: the reactive multispecies transport process is operator split into two steps: (1) the physical movement of the particles including the attachment/detachment to solid surfaces, which is modeled by a Lagrangian random-walk algorithm; and (2) multispecies reactions including biodegradation are modeled by coupling multiple Monod equations with other geochemical reactions. The coupled reaction system is solved by an ordinary differential equation solver. In order to solve the coupled system of equations, after step 1, the particles are converted to grid-based concentrations based on the mass and position of the particles, and after step 2 the newly calculated concentration values are mapped back to particles. The enhanced particle-tracking code is capable of simulating subsurface nitrogen transport and transformation in a three-dimensional domain with variably saturated conditions. Potential application of the enhanced code is to simulate subsurface nitrogen loading to the Chesapeake Bay and its tributaries. Implementation details, verification results of the enhanced code with one-dimensional analytical solutions and other existing numerical models will be presented in addition to a discussion of implementation challenges.

PFLOTRAN-E4D: A parallel open source PFLOTRAN module for simulating time-lapse electrical resistivity data

NASA Astrophysics Data System (ADS)

Johnson, Timothy C.; Hammond, Glenn E.; Chen, Xingyuan

2017-02-01

Time-lapse electrical resistivity tomography (ERT) is finding increased application for remotely monitoring processes occurring in the near subsurface in three-dimensions (i.e. 4D monitoring). However, there are few codes capable of simulating the evolution of subsurface resistivity and corresponding tomographic measurements arising from a particular process, particularly in parallel and with an open source license. Herein we describe and demonstrate an electrical resistivity tomography module for the PFLOTRAN subsurface flow and reactive transport simulation code, named PFLOTRAN-E4D. The PFLOTRAN-E4D module operates in parallel using a dedicated set of compute cores in a master-slave configuration. At each time step, the master processes receives subsurface states from PFLOTRAN, converts those states to bulk electrical conductivity, and instructs the slave processes to simulate a tomographic data set. The resulting multi-physics simulation capability enables accurate feasibility studies for ERT imaging, the identification of the ERT signatures that are unique to a given process, and facilitates the joint inversion of ERT data with hydrogeological data for subsurface characterization. PFLOTRAN-E4D is demonstrated herein using a field study of stage-driven groundwater/river water interaction ERT monitoring along the Columbia River, Washington, USA. Results demonstrate the complex nature of subsurface electrical conductivity changes, in both the saturated and unsaturated zones, arising from river stage fluctuations and associated river water intrusion into the aquifer. The results also demonstrate the sensitivity of surface based ERT measurements to those changes over time. PFLOTRAN-E4D is available with the PFLOTRAN development version with an open-source license at https://bitbucket.org/pflotran/pflotran-dev.

Translucent Radiosity: Efficiently Combining Diffuse Inter-Reflection and Subsurface Scattering.

PubMed

Sheng, Yu; Shi, Yulong; Wang, Lili; Narasimhan, Srinivasa G

2014-07-01

It is hard to efficiently model the light transport in scenes with translucent objects for interactive applications. The inter-reflection between objects and their environments and the subsurface scattering through the materials intertwine to produce visual effects like color bleeding, light glows, and soft shading. Monte-Carlo based approaches have demonstrated impressive results but are computationally expensive, and faster approaches model either only inter-reflection or only subsurface scattering. In this paper, we present a simple analytic model that combines diffuse inter-reflection and isotropic subsurface scattering. Our approach extends the classical work in radiosity by including a subsurface scattering matrix that operates in conjunction with the traditional form factor matrix. This subsurface scattering matrix can be constructed using analytic, measurement-based or simulation-based models and can capture both homogeneous and heterogeneous translucencies. Using a fast iterative solution to radiosity, we demonstrate scene relighting and dynamically varying object translucencies at near interactive rates.

In situ measurement and simulation of nano-magnetite mobility in porous media subject to transient salinity

NASA Astrophysics Data System (ADS)

Becker, Matthew D.; Wang, Yonggang; L. Paulsen, Jeffrey; Song, Yi-Qiao; Abriola, Linda M.; Pennell, Kurt D.

2014-12-01

Nanotechnologies have been proposed for a variety of environmental applications, including subsurface characterization, enhanced oil recovery, and in situ contaminant remediation. For such applications, quantitative predictive models will be of great utility for system design and implementation. Electrolyte chemistry, which can vary substantially within subsurface pore waters, has been shown to strongly influence nanoparticle aggregation and deposition in porous media. Thus, it is essential that mathematical models be capable of tracking changes in electrolyte chemistry and predicting its influence on nanoparticle mobility. In this work, a modified version of a multi-dimensional multispecies transport simulator (SEAWAT) was employed to model nanoparticle transport under transient electrolyte conditions. The modeling effort was supported by experimental measurements of paramagnetic magnetite (Fe3O4) nanoparticle, coated with polyacrylamide-methylpropane sulfonic acid - lauryl acrylate (nMag-PAMPS), mobility in columns packed with 40-50 mesh Ottawa sand. Column effluent analyses and magnetic resonance imaging (MRI) were used to quantify nanoparticle breakthrough and in situ aqueous phase concentrations, respectively. Experimental observations revealed that introduction of de-ionized water into the brine saturated column (80 g L-1 NaCl + 20 g L-1 CaCl2) promoted release and remobilization of deposited nanoparticles along a diagonal front, coincident with the variable density flow field. This behavior was accurately captured by the simulation results, which indicated that a two-site deposition-release model provided the best fit to experimental observations, suggesting that heterogeneous nanoparticle-surface interactions governed nanoparticle attachment. These findings illustrate the importance of accounting for both physical and chemical processes associated with changes in electrolyte chemistry when predicting nanoparticle transport behavior in subsurface formations.Nanotechnologies have been proposed for a variety of environmental applications, including subsurface characterization, enhanced oil recovery, and in situ contaminant remediation. For such applications, quantitative predictive models will be of great utility for system design and implementation. Electrolyte chemistry, which can vary substantially within subsurface pore waters, has been shown to strongly influence nanoparticle aggregation and deposition in porous media. Thus, it is essential that mathematical models be capable of tracking changes in electrolyte chemistry and predicting its influence on nanoparticle mobility. In this work, a modified version of a multi-dimensional multispecies transport simulator (SEAWAT) was employed to model nanoparticle transport under transient electrolyte conditions. The modeling effort was supported by experimental measurements of paramagnetic magnetite (Fe3O4) nanoparticle, coated with polyacrylamide-methylpropane sulfonic acid - lauryl acrylate (nMag-PAMPS), mobility in columns packed with 40-50 mesh Ottawa sand. Column effluent analyses and magnetic resonance imaging (MRI) were used to quantify nanoparticle breakthrough and in situ aqueous phase concentrations, respectively. Experimental observations revealed that introduction of de-ionized water into the brine saturated column (80 g L-1 NaCl + 20 g L-1 CaCl2) promoted release and remobilization of deposited nanoparticles along a diagonal front, coincident with the variable density flow field. This behavior was accurately captured by the simulation results, which indicated that a two-site deposition-release model provided the best fit to experimental observations, suggesting that heterogeneous nanoparticle-surface interactions governed nanoparticle attachment. These findings illustrate the importance of accounting for both physical and chemical processes associated with changes in electrolyte chemistry when predicting nanoparticle transport behavior in subsurface formations. Electronic supplementary information (ESI) available: A schematic diagram of the nMag-MRI experimental systems, description of the mathematical modeling domain, further information regarding calibration of R2 to nMag concentration in sand, comparison of one- and two-site simulations of phases 1 and 2, DLVO interaction energy profiles for the system, and a time lapse movie of the best fit two-site model simulation of the nMag experimental data. See DOI: 10.1039/c4nr05088f

Impact of transient stream flow on water exchange and reactions in the hyporheic zone of an in-stream gravel bar

NASA Astrophysics Data System (ADS)

Trauth, Nico; Schmidt, Christian; Fleckenstein, Jan H.

2015-04-01

Groundwater-surface water exchange is an important process that can facilitate the degradation of critical substances like nitrogen-species and contaminants, supporting a healthy status of the aquatic ecosystem. In our study, we simulate water exchange, solute transport and reactions within a natural in-stream gravel bar using a coupled surface and subsurface numerical model. Stream water flow is simulated by computational fluid dynamics software that provides hydraulic head distributions at the streambed, which are used as an upper boundary condition for a groundwater model. In the groundwater model water exchange, solute transport, aerobic respiration and denitrification in the subsurface are simulated. Ambient groundwater flow is introduced by lateral upstream and downstream hydraulic head boundaries that generate neutral, losing or gaining stream conditions. Stream water transports dissolved oxygen, organic carbon (as the dominant electron donor) and nitrate into the subsurface, whereas an additional nitrate source exists in the ambient groundwater. Scenarios of stream flow events varying in duration and stream stage are simulated and compared with steady state scenarios with respect to water fluxes, residence times and the solute turn-over rates. Results show, that water exchange and solute turn-over rates highly depend on the interplay between event characteristics and ambient groundwater levels. For scenarios, where the stream flow event shifts the hydraulic system to a net-neutral hydraulic gradient between the average stream stage and the ambient groundwater level (minimal exchange between ground- and surface water), solute consumption is higher, compared to the steady losing or gaining case. In contrast, events that induce strong losing conditions lead to a lower potential of solute consumption.

Adapting HYDRUS-1D to simulate overland flow and reactive transport during sheet flow deviations

USDA-ARS?s Scientific Manuscript database

The HYDRUS-1D code is a popular numerical model for solving the Richards equation for variably-saturated water flow and solute transport in porous media. This code was adapted to solve rather than the Richards equation for subsurface flow the diffusion wave equation for overland flow at the soil sur...

Modeling Polymer Stabilized Nano-scale Zero Valent Iron Transport Experiments in Porous Media to Understand the Transport Behavior

NASA Astrophysics Data System (ADS)

Mondal, P.; Krol, M.; Sleep, B. E.

2015-12-01

A wide variety of groundwater contaminants can be treated with nano-scale zero valent iron (nZVI). However, delivery of nZVI in the subsurface to the treatment zones is challenging as the bare nZVI particles have a higher tendency to agglomerate. The subsurface mobility of nZVI can be enhanced by stabilizing nZVI with polymer, such as carboxymethyl cellulose (CMC). In this study, numerical simulations were conducted to evaluate CMC stabilized nZVI transport behavior in porous media. The numerical simulations were based on a set of laboratory-scale transport experiments that were conducted in a two-dimensional water-saturated glass-walled sandbox (length - 55 cm; height - 45 cm; width - 1.4 cm), uniformly packed with silica sand. In the transport experiments: CMC stabilized nZVI and a non-reactive dye tracer Lissamine Green B (LGB) were used; water specific discharge and CMC concentration were varied; movements of LGB, and CMC-nZVI in the sandbox were tracked using a camera, a light source and a dark box. The concentrations of LGB, CMC, and CMC-nZVI at the sandbox outlet were analyzed. A 2D multiphase flow and transport model was applied to simulate experimental results. The images from LGB dye transport experiments were used to determine the pore water velocities and media permeabilities in various layers in the sand box. These permeability values were used in the subsequent simulations of CMC-nZVI transport. The 2D compositional simulator, modified to include colloid filtration theory (CFT), treated CMC as a solute and nZVI as a colloid. The simulator included composition dependent viscosity to account for CMC injection and mixing, and attachment efficiency as a fitting parameter for nZVI transport modeling. In the experiments, LGB and CMC recoveries were greater than 95%; however, CMC residence time was significantly higher than the LGB residence time and the higher CMC concentration caused higher pressure drops in the sandbox. The nZVI recovery was lower than 40% in all experiments. The simulation results were found to be in good agreement with the experimental results, implying that the compositional simulator including CFT-modified transport equations could be utilized for the estimation of CMC-stabilized nZVI transport in porous media and design of field scale implementations of CMC-nZVI for remediation.

Multiphase, multicomponent simulations and experiments of reactive flow, relevant for combining geologic CO2 sequestration with geothermal energy capture

NASA Astrophysics Data System (ADS)

Saar, Martin O.

2011-11-01

Understanding the fluid dynamics of supercritical carbon dioxide (CO2) in brine- filled porous media is important for predictions of CO2 flow and brine displacement during geologic CO2 sequestration and during geothermal energy capture using sequestered CO2 as the subsurface heat extraction fluid. We investigate multiphase fluid flow in porous media employing particle image velocimetry experiments and lattice-Boltzmann fluid flow simulations at the pore scale. In particular, we are interested in the motion of a drop (representing a CO2 bubble) through an orifice in a plate, representing a simplified porous medium. In addition, we study single-phase/multicomponent reactive transport experimentally by injecting water with dissolved CO2 into rocks/sediments typically considered for CO2 sequestration to investigate how resultant fluid-mineral reactions modify permeability fields. Finally, we investigate numerically subsurface CO2 and heat transport at the geologic formation scale.

Stochastic porous media modeling and high-resolution schemes for numerical simulation of subsurface immiscible fluid flow transport

NASA Astrophysics Data System (ADS)

Brantson, Eric Thompson; Ju, Binshan; Wu, Dan; Gyan, Patricia Semwaah

2018-04-01

This paper proposes stochastic petroleum porous media modeling for immiscible fluid flow simulation using Dykstra-Parson coefficient (V DP) and autocorrelation lengths to generate 2D stochastic permeability values which were also used to generate porosity fields through a linear interpolation technique based on Carman-Kozeny equation. The proposed method of permeability field generation in this study was compared to turning bands method (TBM) and uniform sampling randomization method (USRM). On the other hand, many studies have also reported that, upstream mobility weighting schemes, commonly used in conventional numerical reservoir simulators do not accurately capture immiscible displacement shocks and discontinuities through stochastically generated porous media. This can be attributed to high level of numerical smearing in first-order schemes, oftentimes misinterpreted as subsurface geological features. Therefore, this work employs high-resolution schemes of SUPERBEE flux limiter, weighted essentially non-oscillatory scheme (WENO), and monotone upstream-centered schemes for conservation laws (MUSCL) to accurately capture immiscible fluid flow transport in stochastic porous media. The high-order schemes results match well with Buckley Leverett (BL) analytical solution without any non-oscillatory solutions. The governing fluid flow equations were solved numerically using simultaneous solution (SS) technique, sequential solution (SEQ) technique and iterative implicit pressure and explicit saturation (IMPES) technique which produce acceptable numerical stability and convergence rate. A comparative and numerical examples study of flow transport through the proposed method, TBM and USRM permeability fields revealed detailed subsurface instabilities with their corresponding ultimate recovery factors. Also, the impact of autocorrelation lengths on immiscible fluid flow transport were analyzed and quantified. A finite number of lines used in the TBM resulted into visual artifact banding phenomenon unlike the proposed method and USRM. In all, the proposed permeability and porosity fields generation coupled with the numerical simulator developed will aid in developing efficient mobility control schemes to improve on poor volumetric sweep efficiency in porous media.

SUTRA: A model for 2D or 3D saturated-unsaturated, variable-density ground-water flow with solute or energy transport

USGS Publications Warehouse

Voss, Clifford I.; Provost, A.M.

2002-01-01

SUTRA (Saturated-Unsaturated Transport) is a computer program that simulates fluid movement and the transport of either energy or dissolved substances in a subsurface environment. This upgraded version of SUTRA adds the capability for three-dimensional simulation to the former code (Voss, 1984), which allowed only two-dimensional simulation. The code employs a two- or three-dimensional finite-element and finite-difference method to approximate the governing equations that describe the two interdependent processes that are simulated: 1) fluid density-dependent saturated or unsaturated ground-water flow; and 2) either (a) transport of a solute in the ground water, in which the solute may be subject to: equilibrium adsorption on the porous matrix, and both first-order and zero-order production or decay; or (b) transport of thermal energy in the ground water and solid matrix of the aquifer. SUTRA may also be used to simulate simpler subsets of the above processes. A flow-direction-dependent dispersion process for anisotropic media is also provided by the code and is introduced in this report. As the primary calculated result, SUTRA provides fluid pressures and either solute concentrations or temperatures, as they vary with time, everywhere in the simulated subsurface system. SUTRA flow simulation may be employed for two-dimensional (2D) areal, cross sectional and three-dimensional (3D) modeling of saturated ground-water flow systems, and for cross sectional and 3D modeling of unsaturated zone flow. Solute-transport simulation using SUTRA may be employed to model natural or man-induced chemical-species transport including processes of solute sorption, production, and decay. For example, it may be applied to analyze ground-water contaminant transport problems and aquifer restoration designs. In addition, solute-transport simulation with SUTRA may be used for modeling of variable-density leachate movement, and for cross sectional modeling of saltwater intrusion in aquifers at near-well or regional scales, with either dispersed or relatively sharp transition zones between freshwater and saltwater. SUTRA energy-transport simulation may be employed to model thermal regimes in aquifers, subsurface heat conduction, aquifer thermal-energy storage systems, geothermal reservoirs, thermal pollution of aquifers, and natural hydrogeologic convection systems. Mesh construction, which is quite flexible for arbitrary geometries, employs quadrilateral finite elements in 2D Cartesian or radial-cylindrical coordinate systems, and hexahedral finite elements in 3D systems. 3D meshes are currently restricted to be logically rectangular; in other words, they are similar to deformable finite-difference-style grids. Permeabilities may be anisotropic and may vary in both direction and magnitude throughout the system, as may most other aquifer and fluid properties. Boundary conditions, sources and sinks may be time dependent. A number of input data checks are made to verify the input data set. An option is available for storing intermediate results and restarting a simulation at the intermediate time. Output options include fluid velocities, fluid mass and solute mass or energy budgets, and time-varying observations at points in the system. Both the mathematical basis for SUTRA and the program structure are highly general, and are modularized to allow for straightforward addition of new methods or processes to the simulation. The FORTRAN-90 coding stresses clarity and modularity rather than efficiency, providing easy access for later modifications.

Evaluating permafrost thaw vulnerabilities and hydrologic impacts in boreal Alaska (USA) watersheds using field data and cryohydrogeologic modeling

NASA Astrophysics Data System (ADS)

Walvoord, M. A.; Voss, C.; Ebel, B. A.; Minsley, B. J.

2017-12-01

Permafrost environments undergo changes in hydraulic, thermal, chemical, and mechanical subsurface properties upon thaw. These property changes must be considered in addition to alterations in hydrologic, thermal, and topographic boundary conditions when evaluating shifts in the movement and storage of water in arctic and sub-arctic boreal regions. Advances have been made in the last several years with respect to multiscale geophysical characterization of the subsurface and coupled fluid and energy transport modeling of permafrost systems. Ongoing efforts are presented that integrate field data with cryohydrogeologic modeling to better understand and anticipate changes in subsurface water resources, fluxes, and flowpaths caused by climate warming and permafrost thawing. Analyses are based on field data from several sites in interior Alaska (USA) that span a broad north-south transition from continuous to discontinuous permafrost. These data include soil hydraulic and thermal properties and shallow permafrost distribution. The data guide coupled fluid and energy flow simulations that incorporate porewater liquid/ice phase change and the accompanying modifications in hydraulic and thermal subsurface properties. Simulations are designed to assess conditions conducive to active layer thickening and talik development, both of which are expected to affect groundwater storage and flow. Model results provide a framework for identifying factors that control the rates of permafrost thaw and associated hydrologic responses, which in turn influence the fate and transport of carbon.

Carbon Tetrachloride Flow and Transport in the Subsurface of the 216-Z-9 Trench at the Hanford Site

NASA Astrophysics Data System (ADS)

Oostrom, M.; Rockhold, M.; Truex, M.; Thorne, P.; Last, G.; Rohay, V.

2006-12-01

Three-dimensional modeling was conducted with layered and heterogeneous models to enhance the conceptual model of CT distribution in the vertical and lateral direction beneath the 216-Z-9 trench and to investigate the effects of soil vapor extraction (SVE). This work supports the U.S. Department of Energy's (DOE's) efforts to characterize the nature and distribution of CT in the 200 West Area and subsequently select an appropriate final remedy. Simulations targeted migration of dense, nonaqueous phase liquid (DNAPL) consisting of CT and co-disposed organics in the subsurface beneath the 216-Z-9 trench as a function of the properties and distribution of subsurface sediments and of the properties and disposal history of the waste. Simulations of CT migration were conducted using the Subsurface Transport Over Multiple Phases (STOMP) simulator. Simulation results support a conceptual model for CT distribution where CT in the DNAPL phase is expected to have migrated primarily in a vertical direction below the disposal trench. Presence of small-scale heterogeneities tends to limit the extent of vertical migration of CT DNAPL due to enhanced retention of DNAPL compared to more homogeneous conditions, but migration is still predominantly in the vertical direction. Results also show that the Cold Creek units retain more CT DNAPL within the vadose zone than other hydrologic unit during SVE. A considerable amount of the disposed CT DNAPL may have partitioned to the vapor and subsequently water and sorbed phases. Presence of small-scale heterogeneities tends to increase the amount of volatilization. Any continued migration of CT from the vadose zone to the groundwater is likely through interaction of vapor phase CT with the groundwater and not through continued DNAPL migration. The results indicated that SVE appears to be an effective technology for vadose zone remediation, but additional effort is needed to improve simulation of the SVE process.

Regolith-atmosphere exchange of water in Mars' recent past

NASA Astrophysics Data System (ADS)

Steele, Liam J.; Balme, Matthew R.; Lewis, Stephen R.

2017-03-01

We investigate the exchange of water vapour between the regolith and atmosphere of Mars, and how it varies with different orbital parameters, atmospheric dust contents and surface water ice reservoirs. This is achieved through the coupling of a global circulation model (GCM) and a regolith diffusion model. GCM simulations are performed for hundreds of Mars years, with additional one-dimensional simulations performed for 50 kyr. At obliquities ɛ =15∘ and 30°, the thermal inertia and albedo of the regolith have more control on the subsurface water distribution than changes to the eccentricity or solar longitude of perihelion. At ɛ =45∘ , atmospheric water vapour abundances become much larger, allowing stable subsurface ice to form in the tropics and mid-latitudes. The circulation of the atmosphere is important in producing the subsurface water distribution, with increased water content in various locations due to vapour transport by topographically-steered flows and stationary waves. As these circulation patterns are due to topographic features, it is likely the same regions will also experience locally large amounts of subsurface water at different epochs. The dustiness of the atmosphere plays an important role in the distribution of subsurface water, with a dusty atmosphere resulting in a wetter water cycle and increased stability of subsurface ice deposits.

Assessing the value of different data sets and modeling schemes for flow and transport simulations

NASA Astrophysics Data System (ADS)

Hyndman, D. W.; Dogan, M.; Van Dam, R. L.; Meerschaert, M. M.; Butler, J. J., Jr.; Benson, D. A.

2014-12-01

Accurate modeling of contaminant transport has been hampered by an inability to characterize subsurface flow and transport properties at a sufficiently high resolution. However mathematical extrapolation combined with different measurement methods can provide realistic three-dimensional fields of highly heterogeneous hydraulic conductivity (K). This study demonstrates an approach to evaluate the time, cost, and efficiency of subsurface K characterization. We quantify the value of different data sets at the highly heterogeneous Macro Dispersion Experiment (MADE) Site in Mississippi, which is a flagship test site that has been used for several macro- and small-scale tracer tests that revealed non-Gaussian tracer behavior. Tracer data collected at the site are compared to models that are based on different types and resolution of geophysical and hydrologic data. We present a cost-benefit analysis of several techniques including: 1) flowmeter K data, 2) direct-push K data, 3) ground penetrating radar, and 4) two stochastic methods to generate K fields. This research provides an initial assessment of the level of data necessary to accurately simulate solute transport with the traditional advection dispersion equation; it also provides a basis to design lower cost and more efficient remediation schemes at highly heterogeneous sites.

Quantification of the effect of temperature gradients in soils on subsurface radon signal

NASA Astrophysics Data System (ADS)

Haquin, Gustavo; Ilzycer, Danielle; Kamai, Tamir; Zafrir, Hovav; Weisbrod, Noam

2017-04-01

Temperature gradients that develop in soils due to atmospheric temperature cycles are factors of primary importance in determining the rates and directions of subsurface gas flow. Models including mechanisms of thermal convection and thermal diffusion partially explain the impact of temperature gradients on subsurface radon transport. However, the overall impact of temperature gradients on subsurface radon transport is still not well understood. A laboratory setup was designed and built to experimentally investigate the influence of temperature gradients on radon transport under well controlled conditions. A 60 cm diameter and 120 cm tall column was thermally insulated except from the atmosphere-soil interface, such that it was constructed to simulate field conditions where temperature gradients in soils are developed following atmospheric temperature cycles. The column was filled with fine grinded phosphate rock which provided the porous media with radon source. Radon in soil-air was continuously monitored using NaI gamma detectors positioned at different heights along the column. Soil temperature, differential pressure, and relative humidity were monitored along the column. Experiments based on steep and gradual stepwise changes in ambient temperature were conducted. Absolute changes on radon levels in the order of 10-30% were measured at temperature gradients of up to ±20oC/m. Results showed a non-linear correlation between the temperature gradient and the subsurface radon concentration. An asymmetric relationship between the radon concentration and the temperature gradients for ΔT>0 and ΔT<0 was also observed. Laboratory simulations of the time- and depth-dependent temperature wave functions with frequencies ranged from a daily cycle to few days were performed. In response to the harmonic temperature behaviour radon oscillations at similar frequencies were detected correspondingly. In this work a quantitative relationship between radon and temperature gradients will be presented for cases beyond the classical conditions for thermal convection and thermal diffusion.

Dynamics of nonreactive solute transport in the permafrost environment

NASA Astrophysics Data System (ADS)

Svyatskiy, D.; Coon, E. T.; Moulton, J. D.

2017-12-01

As part of the DOE Office of Science Next Generation Ecosystem Experiment, NGEE-Arctic, researchers are developing process-rich models to understand and predict the evolution of water sources and hydrologic flow pathways resulting from degrading permafrost. The sources and interaction of surface and subsurface water and flow paths are complex in space and time due to strong interplay between heterogeneous subsurface parameters, the seasonal to decadal evolution of the flow domain, climate driven melting and release of permafrost ice as a liquid water source, evolving surface topography and highly variable meteorological data. In this study, we seek to characterize the magnitude of vertical and lateral subsurface flows in a cold, wet tundra, polygonal landscape characteristic of the Barrow Peninsula, AK. To better understand the factors controlling water flux partitioning in these low gradient landscapes, NGEE researchers developed and are applying the Advanced Terrestrial Simulator (ATS), which fully couples surface and subsurface flow and energy processes, snow distribution and atmospheric forcing. Here we demonstrate the integration of a new solute transport model within the ATS, which enables the interpretation of applied and natural tracer experiments and observations aimed at quantifying water sources and flux partitioning. We examine the role of ice wedge polygon structure, freeze-thaw processes and soil properties on the seasonal transport of water within and through polygons features, and compare results to tracer experiments on 2D low-centered and high-centered transects corresponding to artificial as well as realistic topographical data from sites in polygonal tundra. These simulations demonstrate significant difference between flow patterns between permafrost and non-permafrost environments due to active layer freeze-thaw processes.

Physical controls and predictability of stream hyporheic flow evaluated with a multiscale model

USGS Publications Warehouse

Stonedahl, Susa H.; Harvey, Judson W.; Detty, Joel; Aubeneau, Antoine; Packman, Aaron I.

2012-01-01

Improved predictions of hyporheic exchange based on easily measured physical variables are needed to improve assessment of solute transport and reaction processes in watersheds. Here we compare physically based model predictions for an Indiana stream with stream tracer results interpreted using the Transient Storage Model (TSM). We parameterized the physically based, Multiscale Model (MSM) of stream-groundwater interactions with measured stream planform and discharge, stream velocity, streambed hydraulic conductivity and porosity, and topography of the streambed at distinct spatial scales (i.e., ripple, bar, and reach scales). We predicted hyporheic exchange fluxes and hyporheic residence times using the MSM. A Continuous Time Random Walk (CTRW) model was used to convert the MSM output into predictions of in stream solute transport, which we compared with field observations and TSM parameters obtained by fitting solute transport data. MSM simulations indicated that surface-subsurface exchange through smaller topographic features such as ripples was much faster than exchange through larger topographic features such as bars. However, hyporheic exchange varies nonlinearly with groundwater discharge owing to interactions between flows induced at different topographic scales. MSM simulations showed that groundwater discharge significantly decreased both the volume of water entering the subsurface and the time it spent in the subsurface. The MSM also characterized longer timescales of exchange than were observed by the tracer-injection approach. The tracer data, and corresponding TSM fits, were limited by tracer measurement sensitivity and uncertainty in estimates of background tracer concentrations. Our results indicate that rates and patterns of hyporheic exchange are strongly influenced by a continuum of surface-subsurface hydrologic interactions over a wide range of spatial and temporal scales rather than discrete processes.

Response curves for phosphorus plume lengths from reactive-solute-transport simulations of onland disposal of wastewater in noncarbonate sand and gravel aquifers

USGS Publications Warehouse

Colman, John A.

2005-01-01

Surface-water resources in Massachusetts often are affected by eutrophication, excessive plant growth, which has resulted in impaired use for a majority of the freshwater ponds and lakes and a substantial number of river-miles in the State. Because supply of phosphorus usually is limiting to plant growth in freshwater systems, control of phosphorus input to surface waters is critical to solving the impairment problem. Wastewater is a substantial source of phosphorus for surface water, and removal of phosphorus before disposal may be necessary. Wastewater disposed onland by infiltration loses phosphorus from the dissolved phase during transport through the subsurface and may be an effective disposal method; quantification of the phosphorus loss can be simulated to determine disposal feasibility. In 2003, the U.S. Geological Survey, in cooperation with the Massachusetts Department of Environmental Protection, initiated a project to simulate distance of phosphorus transport in the subsurface for plausible conditions of onland wastewater disposal and subsurface properties. A coupled one-dimensional unsaturated-zone and three-dimensional saturated-zone reactive-solute-transport model (PHAST) was used to simulate lengths of phosphorus plumes. Knowledge of phosphorus plume length could facilitate estimates of setback distances for wastewater-infiltration sites from surface water that would be sufficient to protect the surface water from eutrophication caused by phosphorus transport through the subsurface and ultimate discharge to surface water. The reactive-solute-transport model PHAST was used to simulate ground-water flow, solute transport, equilibrium chemistry for dissolved and sorbed species, and kinetic regulation of organic carbon decomposition and phosphate mineral formation. The phosphorus plume length was defined for the simulations as the maximum extent of the contour for the 0.015 milligram-per-liter concentration of dissolved phosphorus downgradient from the infiltration bed after disposal cessation. Duration of disposal before cessation was assumed to be 50 years into an infiltration bed of 20,000 square feet at the rate of 3 gallons per square foot per day. Time for the maximum extent of the phosphorus plume to develop is on the order of 100 years after disposal cessation. Simulations indicated that phosphorus transport beyond the extent of the 0.015 milligram-per-liter concentration contour was never more than 0.18 kilogram per year, an amount that would likely not alter the ecology of most surface water. Simulations of phosphorus plume lengths were summarized in a series of response curves. Simulated plume lengths ranged from 200 feet for low phosphorus-concentration effluents (0.25 milligram per liter) and thick (50 feet) unsaturated zones to 3,400 feet for high phosphorus-concentration effluents (14 milligrams per liter) discharged directly into the aquifer (unsaturated-zone thickness of 0 feet). Plume length was nearly independent of unsaturated-zone thickness at phosphorus concentrations in the wastewater that were less than 2 milligrams per liter because little or no phosphorus mineral formed at low phosphorus concentrations. For effluents of high phosphorus concentration, plume length varied from 3,400 feet for unsaturated-zone thickness of 0 to 2,550 feet for unsaturated-zone thickness of 50 feet. Model treatments of flow and equilibrium-controlled chemistry likely were more accurate than rates of kinetically controlled reactions, notably precipitation of iron-phosphate minerals; the kinetics of such reactions are less well known and thus less well defined in the model. Sensitivity analysis indicated that many chemical and physical aquifer properties, such as hydraulic gradient and model width, did not affect the simulated plume length appreciably, but duration of discharge, size of infiltration bed, amount of dispersion, and number of sorption sites on the aquifer sediments did affect plume length ap

Transport of Chemical Vapors from Subsurface Sources to Atmosphere as Affected by Shallow Subsurface and Atmospheric Conditions

NASA Astrophysics Data System (ADS)

Rice, A. K.; Smits, K. M.; Hosken, K.; Schulte, P.; Illangasekare, T. H.

2012-12-01

Understanding the movement and modeling of chemical vapor through unsaturated soil in the shallow subsurface when subjected to natural atmospheric thermal and mass flux boundary conditions at the land surface is of importance to applications such as landmine detection and vapor intrusion into subsurface structures. New, advanced technologies exist to sense chemical signatures at the land/atmosphere interface, but interpretation of these sensor signals to make assessment of source conditions remains a challenge. Chemical signatures are subject to numerous interactions while migrating through the unsaturated soil environment, attenuating signal strength and masking contaminant source conditions. The dominant process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal or no quantification of other processes contributing to vapor migration, such as thermal diffusion, convective gas flow due to the displacement of air, expansion/contraction of air due to temperature changes, temporal and spatial variations of soil moisture and fluctuations in atmospheric pressure. Soil water evaporation and interfacial mass transfer add to the complexity of the system. The goal of this work is to perform controlled experiments under transient conditions of soil moisture, temperature and wind at the land/atmosphere interface and use the resulting dataset to test existing theories on subsurface gas flow and iterate between numerical modeling efforts and experimental data. Ultimately, we aim to update conceptual models of shallow subsurface vapor transport to include conditionally significant transport processes and inform placement of mobile sensors and/or networks. We have developed a two-dimensional tank apparatus equipped with a network of sensors and a flow-through head space for simulation of the atmospheric interface. A detailed matrix of realistic atmospheric boundary conditions was applied in a series of experiments. Water saturation, capillary pressure, air and soil temperature, and relative humidity were continuously monitored. Aqueous TCE was injected into the tank below the water table and allowed to volatilize. TCE concentration exiting the tank head space was measured through interval sampling by direct injection into a gas chromatograph. To quantify the transient concentration of TCE vapor in the soil pore space a novel use of Solid Phase Micro-Extraction (SPME) was developed. Results from our numerical simulations were compared with the experimental data, which demonstrated the importance of considering the interaction of the atmosphere with the subsurface in conceptualization and numerical model development. Results also emphasize that soil saturation and transient sorption have a significant effect on vapor transport through the vadose zone. Follow-up tests and detailed analyses are still underway. Additional applications of this work include carbon sequestration leakage, methane contamination in the shallow subsurface and environmental impact of hydraulic fracturing.

Higher and lowest order mixed finite element approximation of subsurface flow problems with solutions of low regularity

NASA Astrophysics Data System (ADS)

Bause, Markus

2008-02-01

In this work we study mixed finite element approximations of Richards' equation for simulating variably saturated subsurface flow and simultaneous reactive solute transport. Whereas higher order schemes have proved their ability to approximate reliably reactive solute transport (cf., e.g. [Bause M, Knabner P. Numerical simulation of contaminant biodegradation by higher order methods and adaptive time stepping. Comput Visual Sci 7;2004:61-78]), the Raviart- Thomas mixed finite element method ( RT0) with a first order accurate flux approximation is popular for computing the underlying water flow field (cf. [Bause M, Knabner P. Computation of variably saturated subsurface flow by adaptive mixed hybrid finite element methods. Adv Water Resour 27;2004:565-581, Farthing MW, Kees CE, Miller CT. Mixed finite element methods and higher order temporal approximations for variably saturated groundwater flow. Adv Water Resour 26;2003:373-394, Starke G. Least-squares mixed finite element solution of variably saturated subsurface flow problems. SIAM J Sci Comput 21;2000:1869-1885, Younes A, Mosé R, Ackerer P, Chavent G. A new formulation of the mixed finite element method for solving elliptic and parabolic PDE with triangular elements. J Comp Phys 149;1999:148-167, Woodward CS, Dawson CN. Analysis of expanded mixed finite element methods for a nonlinear parabolic equation modeling flow into variably saturated porous media. SIAM J Numer Anal 37;2000:701-724]). This combination might be non-optimal. Higher order techniques could increase the accuracy of the flow field calculation and thereby improve the prediction of the solute transport. Here, we analyse the application of the Brezzi- Douglas- Marini element ( BDM1) with a second order accurate flux approximation to elliptic, parabolic and degenerate problems whose solutions lack the regularity that is assumed in optimal order error analyses. For the flow field calculation a superiority of the BDM1 approach to the RT0 one is observed, which however is less significant for the accompanying solute transport.

Urban heat fluxes in the subsurface of Cologne, Germany

NASA Astrophysics Data System (ADS)

Zhu, K.; Bayer, P.; Blum, P.

2012-04-01

Urbanization during the last hundred years has led to both environmental and thermal impacts on the subsurface. The urban heat island (UHI) effect is mostly described as an atmospheric phenomenon, where the measured aboveground temperatures in cities are elevated in comparison to undisturbed rural regions. However, UHIs can be found below, as well as above ground. A large amount of anthropogenic heat migrates into the urban subsurface, which also raises the ground temperature and permanently changes the thermal conditions in shallow aquifers. The main objective of our work is to study and determine the urban heat fluxes in Cologne, Germany, and to improve our understanding of the dynamics of subsurface energy fluxes in UHIs. Ideally, our findings will contribute to strategic and more sustainable geothermal use in cities. For a quantitative analysis of the energy fluxes within the subsurface and across the atmospheric boundary, two and three-dimensional coupled numerical flow and heat transport models were developed. The simulation results indicate that during the past hundred years, an average vertical urban heat flux that ranges between 80 and 375 mW m-2 can be deduced. Thermal anomalies have migrated into the local urban aquifer system and they reach a depth of about 150 m. In this context, the influence of the regional groundwater flow on the subsurface heat transport and temperature development is comprehensively discussed.

Fate and Transport of Nanoparticles in Porous Media: A Numerical Study

NASA Astrophysics Data System (ADS)

Taghavy, Amir

Understanding the transport characteristics of NPs in natural soil systems is essential to revealing their potential impact on the food chain and groundwater. In addition, many nanotechnology-based remedial measures require effective transport of NPs through soil, which necessitates accurate understanding of their transport and retention behavior. Based upon the conceptual knowledge of environmental behavior of NPs, mathematical models can be developed to represent the coupling of processes that govern the fate of NPs in subsurface, serving as effective tools for risk assessment and/or design of remedial strategies. This work presents an innovative hybrid Eulerian-Lagrangian modeling technique for simulating the simultaneous reactive transport of nanoparticles (NPs) and dissolved constituents in porous media. Governing mechanisms considered in the conceptual model include particle-soil grain, particle-particle, particle-dissolved constituents, and particle- oil/water interface interactions. The main advantage of this technique, compared to conventional Eulerian models, lies in its ability to address non-uniformity in physicochemical particle characteristics. The developed numerical simulator was applied to investigate the fate and transport of NPs in a number of practical problems relevant to the subsurface environment. These problems included: (1) reductive dechlorination of chlorinated solvents by zero-valent iron nanoparticles (nZVI) in dense non-aqueous phase liquid (DNAPL) source zones; (2) reactive transport of dissolving silver nanoparticles (nAg) and the dissolved silver ions; (3) particle-particle interactions and their effects on the particle-soil grain interactions; and (4) influence of particle-oil/water interface interactions on NP transport in porous media.

Acoustic Wave Monitoring of Biofilm Development in Porous Media

EPA Science Inventory

Biofilm development in porous media can result in significant changes to the hydrogeological properties of subsurface systems with implications for fluid flow and contaminant transport. As such, a number of numerical models and simulations have been developed in an attempt to qua...

Enhanced Remedial Amendment Delivery through Fluid Viscosity Modifications: Experiments and numerical simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Lirong; Oostrom, Martinus; Wietsma, Thomas W.

2008-07-29

Abstract Heterogeneity is often encountered in subsurface contamination characterization and remediation. Low-permeability zones are typically bypassed when remedial fluids are injected into subsurface heterogeneous aquifer systems. Therefore, contaminants in the bypassed areas may not be contacted by the amendments in the remedial fluid, which may significantly prolong the remediation operations. Laboratory experiments and numerical studies have been conducted to develop the Mobility-Controlled Flood (MCF) technology for subsurface remediation and to demonstrate the capability of this technology in enhancing the remedial amendments delivery to the lower permeability zones in heterogeneous systems. Xanthan gum, a bio-polymer, was used to modify the viscositymore » of the amendment-containing remedial solutions. Sodium mono-phosphate and surfactant were the remedial amendment used in this work. The enhanced delivery of the amendments was demonstrated in two-dimensional (2-D) flow cell experiments, packed with heterogeneous systems. The impact of polymer concentration, fluid injection rate, and permeability contract in the heterogeneous systems has been studied. The Subsurface Transport over Multiple Phases (STOMP) simulator was modified to include polymer-induced shear thinning effects. Shear rates of polymer solutions were computed from pore-water velocities using a relationship proposed in the literature. Viscosity data were subsequently obtained from empirical viscosity-shear rate relationships derived from laboratory data. The experimental and simulation results clearly show that the MCF technology is capable of enhancing the delivery of remedial amendments to subsurface lower permeability zones. The enhanced delivery significantly improved the NAPL removal from these zones and the sweeping efficiency on a heterogeneous system was remarkably increased when a polymer fluid was applied. MCF technology is also able to stabilize the fluid displacing front when there is a density difference between the fluids. The modified STOMP simulator was able to predict the experimental observed fluid displacing behavior. The simulator may be used to predict the subsurface remediation performance when a shear thinning fluid is used to remediate a heterogeneous system.« less

Mesh infrastructure for coupled multiprocess geophysical simulations

DOE PAGES

Garimella, Rao V.; Perkins, William A.; Buksas, Mike W.; ...

2014-01-01

We have developed a sophisticated mesh infrastructure capability to support large scale multiphysics simulations such as subsurface flow and reactive contaminant transport at storage sites as well as the analysis of the effects of a warming climate on the terrestrial arctic. These simulations involve a wide range of coupled processes including overland flow, subsurface flow, freezing and thawing of ice rich soil, accumulation, redistribution and melting of snow, biogeochemical processes involving plant matter and finally, microtopography evolution due to melting and degradation of ice wedges below the surface. In addition to supporting the usual topological and geometric queries about themore » mesh, the mesh infrastructure adds capabilities such as identifying columnar structures in the mesh, enabling deforming of the mesh subject to constraints and enabling the simultaneous use of meshes of different dimensionality for subsurface and surface processes. The generic mesh interface is capable of using three different open source mesh frameworks (MSTK, MOAB and STKmesh) under the hood allowing the developers to directly compare them and choose one that is best suited for the application's needs. We demonstrate the results of some simulations using these capabilities as well as present a comparison of the performance of the different mesh frameworks.« less

Intercomparison of Multiscale Modeling Approaches in Simulating Subsurface Flow and Transport

NASA Astrophysics Data System (ADS)

Yang, X.; Mehmani, Y.; Barajas-Solano, D. A.; Song, H. S.; Balhoff, M.; Tartakovsky, A. M.; Scheibe, T. D.

2016-12-01

Hybrid multiscale simulations that couple models across scales are critical to advance predictions of the larger system behavior using understanding of fundamental processes. In the current study, three hybrid multiscale methods are intercompared: multiscale loose-coupling method, multiscale finite volume (MsFV) method and multiscale mortar method. The loose-coupling method enables a parallel workflow structure based on the Swift scripting environment that manages the complex process of executing coupled micro- and macro-scale models without being intrusive to the at-scale simulators. The MsFV method applies microscale and macroscale models over overlapping subdomains of the modeling domain and enforces continuity of concentration and transport fluxes between models via restriction and prolongation operators. The mortar method is a non-overlapping domain decomposition approach capable of coupling all permutations of pore- and continuum-scale models with each other. In doing so, Lagrange multipliers are used at interfaces shared between the subdomains so as to establish continuity of species/fluid mass flux. Subdomain computations can be performed either concurrently or non-concurrently depending on the algorithm used. All the above methods have been proven to be accurate and efficient in studying flow and transport in porous media. However, there has not been any field-scale applications and benchmarking among various hybrid multiscale approaches. To address this challenge, we apply all three hybrid multiscale methods to simulate water flow and transport in a conceptualized 2D modeling domain of the hyporheic zone, where strong interactions between groundwater and surface water exist across multiple scales. In all three multiscale methods, fine-scale simulations are applied to a thin layer of riverbed alluvial sediments while the macroscopic simulations are used for the larger subsurface aquifer domain. Different numerical coupling methods are then applied between scales and inter-compared. Comparisons are drawn in terms of velocity distributions, solute transport behavior, algorithm-induced numerical error and computing cost. The intercomparison work provides support for confidence in a variety of hybrid multiscale methods and motivates further development and applications.

Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN

PubMed Central

Hammond, G E; Lichtner, P C; Mills, R T

2014-01-01

[1] To better inform the subsurface scientist on the expected performance of parallel simulators, this work investigates performance of the reactive multiphase flow and multicomponent biogeochemical transport code PFLOTRAN as it is applied to several realistic modeling scenarios run on the Jaguar supercomputer. After a brief introduction to the code's parallel layout and code design, PFLOTRAN's parallel performance (measured through strong and weak scalability analyses) is evaluated in the context of conceptual model layout, software and algorithmic design, and known hardware limitations. PFLOTRAN scales well (with regard to strong scaling) for three realistic problem scenarios: (1) in situ leaching of copper from a mineral ore deposit within a 5-spot flow regime, (2) transient flow and solute transport within a regional doublet, and (3) a real-world problem involving uranium surface complexation within a heterogeneous and extremely dynamic variably saturated flow field. Weak scalability is discussed in detail for the regional doublet problem, and several difficulties with its interpretation are noted. PMID:25506097

Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN.

PubMed

Hammond, G E; Lichtner, P C; Mills, R T

2014-01-01

[1] To better inform the subsurface scientist on the expected performance of parallel simulators, this work investigates performance of the reactive multiphase flow and multicomponent biogeochemical transport code PFLOTRAN as it is applied to several realistic modeling scenarios run on the Jaguar supercomputer. After a brief introduction to the code's parallel layout and code design, PFLOTRAN's parallel performance (measured through strong and weak scalability analyses) is evaluated in the context of conceptual model layout, software and algorithmic design, and known hardware limitations. PFLOTRAN scales well (with regard to strong scaling) for three realistic problem scenarios: (1) in situ leaching of copper from a mineral ore deposit within a 5-spot flow regime, (2) transient flow and solute transport within a regional doublet, and (3) a real-world problem involving uranium surface complexation within a heterogeneous and extremely dynamic variably saturated flow field. Weak scalability is discussed in detail for the regional doublet problem, and several difficulties with its interpretation are noted.

Groundwater flow with energy transport and water-ice phase change: Numerical simulations, benchmarks, and application to freezing in peat bogs

USGS Publications Warehouse

McKenzie, J.M.; Voss, C.I.; Siegel, D.I.

2007-01-01

In northern peatlands, subsurface ice formation is an important process that can control heat transport, groundwater flow, and biological activity. Temperature was measured over one and a half years in a vertical profile in the Red Lake Bog, Minnesota. To successfully simulate the transport of heat within the peat profile, the U.S. Geological Survey's SUTRA computer code was modified. The modified code simulates fully saturated, coupled porewater-energy transport, with freezing and melting porewater, and includes proportional heat capacity and thermal conductivity of water and ice, decreasing matrix permeability due to ice formation, and latent heat. The model is verified by correctly simulating the Lunardini analytical solution for ice formation in a porous medium with a mixed ice-water zone. The modified SUTRA model correctly simulates the temperature and ice distributions in the peat bog. Two possible benchmark problems for groundwater and energy transport with ice formation and melting are proposed that may be used by other researchers for code comparison. ?? 2006 Elsevier Ltd. All rights reserved.

Scenario simulation based assessment of subsurface energy storage

NASA Astrophysics Data System (ADS)

Beyer, C.; Bauer, S.; Dahmke, A.

2014-12-01

Energy production from renewable sources such as solar or wind power is characterized by temporally varying power supply. The politically intended transition towards renewable energies in Germany („Energiewende") hence requires the installation of energy storage technologies to compensate for the fluctuating production. In this context, subsurface energy storage represents a viable option due to large potential storage capacities and the wide prevalence of suited geological formations. Technologies for subsurface energy storage comprise cavern or deep porous media storage of synthetic hydrogen or methane from electrolysis and methanization, or compressed air, as well as heat storage in shallow or moderately deep porous formations. Pressure build-up, fluid displacement or temperature changes induced by such operations may affect local and regional groundwater flow, geomechanical behavior, groundwater geochemistry and microbiology. Moreover, subsurface energy storage may interact and possibly be in conflict with other "uses" like drinking water abstraction or ecological goods and functions. An utilization of the subsurface for energy storage therefore requires an adequate system and process understanding for the evaluation and assessment of possible impacts of specific storage operations on other types of subsurface use, the affected environment and protected entities. This contribution presents the framework of the ANGUS+ project, in which tools and methods are developed for these types of assessments. Synthetic but still realistic scenarios of geological energy storage are derived and parameterized for representative North German storage sites by data acquisition and evaluation, and experimental work. Coupled numerical hydraulic, thermal, mechanical and reactive transport (THMC) simulation tools are developed and applied to simulate the energy storage and subsurface usage scenarios, which are analyzed for an assessment and generalization of the imposed THMC-processes, mutual effects and influences on protected entities. The scenario analyses allow the deduction of monitoring concepts as well as a first methodology for large scale spatial planning of the geological subsurface. This concept is illustrated for different storage options and their impacts in space and time.

Effect of flow on bacterial transport and biofilm formation in saturated porous media

NASA Astrophysics Data System (ADS)

Rusconi, R.

2016-12-01

Understanding the transport of bacteria in saturated porous media is crucial for many applications ranging from the management of pumping wells subject to bio-clogging to the design of new bioremediation schemes for subsurface contamination. However, little is known about the spatial distribution of bacteria at the pore scale, particularly when small-scale heterogeneities - always present even in seemingly homogeneous aquifers - lead to preferential pathways for groundwater flow. In particular, the coupling of flow and motility has recently been shown to strongly affect bacterial transport1, and this leads us to predict that subsurface flow may strongly affect the dispersal of bacteria and the formation of biofilms in saturated aquifers. I present here microfluidic experiments combined with numerical simulations to show how the topological features of the flow correlate with bacterial concentration and promote the attachment of bacteria to specific regions of the pore network, which will ultimately influence the formations of biofilms. These results highlight the intimate link between small-scale biological processes and transport in porous media.

Physics-based subsurface visualization of human tissue.

PubMed

Sharp, Richard; Adams, Jacob; Machiraju, Raghu; Lee, Robert; Crane, Robert

2007-01-01

In this paper, we present a framework for simulating light transport in three-dimensional tissue with inhomogeneous scattering properties. Our approach employs a computational model to simulate light scattering in tissue through the finite element solution of the diffusion equation. Although our model handles both visible and nonvisible wavelengths, we especially focus on the interaction of near infrared (NIR) light with tissue. Since most human tissue is permeable to NIR light, tools to noninvasively image tumors, blood vasculature, and monitor blood oxygenation levels are being constructed. We apply this model to a numerical phantom to visually reproduce the images generated by these real-world tools. Therefore, in addition to enabling inverse design of detector instruments, our computational tools produce physically-accurate visualizations of subsurface structures.

Seasonal Variability in Vadose zone biodegradation at a crude oil pipeline rupture site

USGS Publications Warehouse

Sihota, Natasha J.; Trost, Jared J.; Bekins, Barbara; Berg, Andrew M.; Delin, Geoffrey N.; Mason, Brent E.; Warren, Ean; Mayer, K. Ulrich

2016-01-01

Understanding seasonal changes in natural attenuation processes is critical for evaluating source-zone longevity and informing management decisions. The seasonal variations of natural attenuation were investigated through measurements of surficial CO2 effluxes, shallow soil CO2 radiocarbon contents, subsurface gas concentrations, soil temperature, and volumetric water contents during a 2-yr period. Surficial CO2 effluxes varied seasonally, with peak values of total soil respiration (TSR) occurring in the late spring and summer. Efflux and radiocarbon data indicated that the fractional contributions of natural soil respiration (NSR) and contaminant soil respiration (CSR) to TSR varied seasonally. The NSR dominated in the spring and summer, and CSR dominated in the fall and winter. Subsurface gas concentrations also varied seasonally, with peak values of CO2 and CH4 occurring in the fall and winter. Vadose zone temperatures and subsurface CO2 concentrations revealed a correlation between contaminant respiration and temperature. A time lag of 5 to 7 mo between peak subsurface CO2 concentrations and peak surface efflux is consistent with travel-time estimates for subsurface gas migration. Periods of frozen soils coincided with depressed surface CO2 effluxes and elevated CO2 concentrations, pointing to the temporary presence of an ice layer that inhibited gas transport. Quantitative reactive transport simulations demonstrated aspects of the conceptual model developed from field measurements. Overall, results indicated that source-zone natural attenuation (SZNA) rates and gas transport processes varied seasonally and that the average annual SZNA rate estimated from periodic surface efflux measurements is 60% lower than rates determined from measurements during the summer.

Utilizing High-Performance Computing to Investigate Parameter Sensitivity of an Inversion Model for Vadose Zone Flow and Transport

NASA Astrophysics Data System (ADS)

Fang, Z.; Ward, A. L.; Fang, Y.; Yabusaki, S.

2011-12-01

High-resolution geologic models have proven effective in improving the accuracy of subsurface flow and transport predictions. However, many of the parameters in subsurface flow and transport models cannot be determined directly at the scale of interest and must be estimated through inverse modeling. A major challenge, particularly in vadose zone flow and transport, is the inversion of the highly-nonlinear, high-dimensional problem as current methods are not readily scalable for large-scale, multi-process models. In this paper we describe the implementation of a fully automated approach for addressing complex parameter optimization and sensitivity issues on massively parallel multi- and many-core systems. The approach is based on the integration of PNNL's extreme scale Subsurface Transport Over Multiple Phases (eSTOMP) simulator, which uses the Global Array toolkit, with the Beowulf-Cluster inspired parallel nonlinear parameter estimation software, BeoPEST in the MPI mode. In the eSTOMP/BeoPEST implementation, a pre-processor generates all of the PEST input files based on the eSTOMP input file. Simulation results for comparison with observations are extracted automatically at each time step eliminating the need for post-process data extractions. The inversion framework was tested with three different experimental data sets: one-dimensional water flow at Hanford Grass Site; irrigation and infiltration experiment at the Andelfingen Site; and a three-dimensional injection experiment at Hanford's Sisson and Lu Site. Good agreements are achieved in all three applications between observations and simulations in both parameter estimates and water dynamics reproduction. Results show that eSTOMP/BeoPEST approach is highly scalable and can be run efficiently with hundreds or thousands of processors. BeoPEST is fault tolerant and new nodes can be dynamically added and removed. A major advantage of this approach is the ability to use high-resolution geologic models to preserve the spatial structure in the inverse model, which leads to better parameter estimates and improved predictions when using the inverse-conditioned realizations of parameter fields.

Numerical simulation of seasonal heat storage in a contaminated shallow aquifer - Temperature influence on flow, transport and reaction processes

NASA Astrophysics Data System (ADS)

Popp, Steffi; Beyer, Christof; Dahmke, Andreas; Bauer, Sebastian

2015-04-01

The energy market in Germany currently faces a rapid transition from nuclear power and fossil fuels towards an increased production of energy from renewable resources like wind or solar power. In this context, seasonal heat storage in the shallow subsurface is becoming more and more important, particularly in urban regions with high population densities and thus high energy and heat demand. Besides the effects of increased or decreased groundwater and sediment temperatures on local and large-scale groundwater flow, transport, geochemistry and microbiology, an influence on subsurface contaminations, which may be present in the urban surbsurface, can be expected. Currently, concerns about negative impacts of temperature changes on groundwater quality are the main barrier for the approval of heat storage at or close to contaminated sites. The possible impacts of heat storage on subsurface contamination, however, have not been investigated in detail yet. Therefore, this work investigates the effects of a shallow seasonal heat storage on subsurface groundwater flow, transport and reaction processes in the presence of an organic contamination using numerical scenario simulations. A shallow groundwater aquifer is assumed, which consists of Pleistoscene sandy sediments typical for Northern Germany. The seasonal heat storage in these scenarios is performed through arrays of borehole heat exchangers (BHE), where different setups with 6 and 72 BHE, and temperatures during storage between 2°C and 70°C are analyzed. The developing heat plume in the aquifer interacts with a residual phase of a trichloroethene (TCE) contamination. The plume of dissolved TCE emitted from this source zone is degraded by reductive dechlorination through microbes present in the aquifer, which degrade TCE under anaerobic redox conditions to the degradation products dichloroethene, vinyl chloride and ethene. The temperature dependence of the microbial degradation activity of each degradation step is taken into account for the numerical simulations. Hence, the simulations are performed with the code OpenGeoSys, which is especially suited for simulating coupled thermal, hydraulic and geochemical processes. The scenario simulations show an increase in the source zone emission of TCE at higher temperatures, which is primarily due to the focusing of the groundwater flow in the area of higher temperatures within the source zone and to a lesser part to an increase in TCE solubility. On the other hand, a widening of the contaminant plume and enlargement of the area for TCE biodegradation is induced, which leads to an increase in biodegradation of the chlorinated hydrocarbons. In combination almost no change in the overall ratio of degraded to emitted TCE is found, which shows that the seasonal heat storage is not negatively influencing the present TCE contamination under these assumptions. The results of this work serve to support the risk assessment for the interaction between heat storage and contaminations in the shallow subsurface and show positive interactions as well as possible conflicts.

Modeling variably saturated multispecies reactive groundwater solute transport with MODFLOW-UZF and RT3D

USGS Publications Warehouse

Bailey, Ryan T.; Morway, Eric D.; Niswonger, Richard G.; Gates, Timothy K.

2013-01-01

A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated-Zone Flow (UZF1) package and MODFLOW. Referred to as UZF-RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS-1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one-dimensional, two-dimensional, and three-dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF-RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run-time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic-wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF-RT3D can be used for large-scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary-pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run-time and the ability to include site-specific chemical species and chemical reactions make UZF-RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large-scale subsurface systems.

Efficient uncertainty quantification in fully-integrated surface and subsurface hydrologic simulations

NASA Astrophysics Data System (ADS)

Miller, K. L.; Berg, S. J.; Davison, J. H.; Sudicky, E. A.; Forsyth, P. A.

2018-01-01

Although high performance computers and advanced numerical methods have made the application of fully-integrated surface and subsurface flow and transport models such as HydroGeoSphere common place, run times for large complex basin models can still be on the order of days to weeks, thus, limiting the usefulness of traditional workhorse algorithms for uncertainty quantification (UQ) such as Latin Hypercube simulation (LHS) or Monte Carlo simulation (MCS), which generally require thousands of simulations to achieve an acceptable level of accuracy. In this paper we investigate non-intrusive polynomial chaos for uncertainty quantification, which in contrast to random sampling methods (e.g., LHS and MCS), represents a model response of interest as a weighted sum of polynomials over the random inputs. Once a chaos expansion has been constructed, approximating the mean, covariance, probability density function, cumulative distribution function, and other common statistics as well as local and global sensitivity measures is straightforward and computationally inexpensive, thus making PCE an attractive UQ method for hydrologic models with long run times. Our polynomial chaos implementation was validated through comparison with analytical solutions as well as solutions obtained via LHS for simple numerical problems. It was then used to quantify parametric uncertainty in a series of numerical problems with increasing complexity, including a two-dimensional fully-saturated, steady flow and transient transport problem with six uncertain parameters and one quantity of interest; a one-dimensional variably-saturated column test involving transient flow and transport, four uncertain parameters, and two quantities of interest at 101 spatial locations and five different times each (1010 total); and a three-dimensional fully-integrated surface and subsurface flow and transport problem for a small test catchment involving seven uncertain parameters and three quantities of interest at 241 different times each. Numerical experiments show that polynomial chaos is an effective and robust method for quantifying uncertainty in fully-integrated hydrologic simulations, which provides a rich set of features and is computationally efficient. Our approach has the potential for significant speedup over existing sampling based methods when the number of uncertain model parameters is modest ( ≤ 20). To our knowledge, this is the first implementation of the algorithm in a comprehensive, fully-integrated, physically-based three-dimensional hydrosystem model.

Adapting HYDRUS-1D to Simulate Overland Flow and Reactive Transport During Sheet Flow Deviations

NASA Astrophysics Data System (ADS)

Liang, J.; Bradford, S. A.; Simunek, J.; Hartmann, A.

2017-12-01

The HYDRUS-1D code is a popular numerical model for solving the Richards equation for variably-saturated water flow and solute transport in porous media. This code was adapted to solve rather than the Richards equation for subsurface flow the diffusion wave equation for overland flow at the soil surface. The numerical results obtained by the new model produced an excellent agreement with the analytical solution of the kinematic wave equation. Model tests demonstrated its applicability to simulate the transport and fate of many different solutes, such as non-adsorbing tracers, nutrients, pesticides, and microbes. However, the diffusion wave or kinematic wave equations describe surface runoff as sheet flow with a uniform depth and velocity across the slope. In reality, overland water flow and transport processes are rarely uniform. Local soil topography, vegetation, and spatial soil heterogeneity control directions and magnitudes of water fluxes, and strongly influence runoff characteristics. There is increasing evidence that variations in soil surface characteristics influence the distribution of overland flow and transport of pollutants. These spatially varying surface characteristics are likely to generate non-equilibrium flow and transport processes. HYDRUS-1D includes a hierarchical series of models of increasing complexity to account for both physical equilibrium and non-equilibrium, e.g., dual-porosity and dual-permeability models, up to a dual-permeability model with immobile water. The same conceptualization as used for the subsurface was implemented to simulate non-equilibrium overland flow and transport at the soil surface. The developed model improves our ability to describe non-equilibrium overland flow and transport processes and to improves our understanding of factors that cause this behavior. The HYDRUS-1D overland flow and transport model was additionally also extended to simulate soil erosion. The HYDRUS-1D Soil Erosion Model has been verified by comparing with other soil erosion models. The model performed well when the average soil particle size is relatively large. The performance of the soil erosion model has been further validated by comparing with selected experimental datasets from the literature.

Modeling the transport of chemical warfare agents and simulants in polymeric substrates for reactive decontamination

NASA Astrophysics Data System (ADS)

Pearl, Thomas; Mantooth, Brent; Varady, Mark; Willis, Matthew

2014-03-01

Chemical warfare agent simulants are often used for environmental testing in place of highly toxic agents. This work sets the foundation for modeling decontamination of absorbing polymeric materials with the focus on determining relationships between agents and simulants. The correlations of agents to simulants must consider the three way interactions in the chemical-material-decontaminant system where transport and reaction occur in polymer materials. To this end, diffusion modeling of the subsurface transport of simulants and live chemical warfare agents was conducted for various polymer systems (e.g., paint coatings) with and without reaction pathways with applied decontamination. The models utilized 1D and 2D finite difference diffusion and reaction models to simulate absorption and reaction in the polymers, and subsequent flux of the chemicals out of the polymers. Experimental data including vapor flux measurements and dynamic contact angle measurements were used to determine model input parameters. Through modeling, an understanding of the relationship of simulant to live chemical warfare agent was established, focusing on vapor emission of agents and simulants from materials.

Examining Changes in Radioxenon Isotope Activity Ratios during Subsurface Transport

NASA Astrophysics Data System (ADS)

Annewandter, R.

2013-12-01

The Non-Proliferation Experiment (NPE) has demonstrated and modelled the usefulness of barometric pumping induced soil gas sampling during On-Site inspections. Gas transport has been widely studied with different numerical codes. However, gas transport of all radioxenons in the post-detonation regime and their possible fractionation is still neglected in the open literature. Atmospheric concentrations of the radioxenons Xe-135, Xe-133m, Xe-133 and Xe-131m can be used to discriminate between civilian releases (nuclear power plants or medical isotope facilities), and nuclear explosion sources. It is based on the isotopic activity ratio method. Yet it is not clear whether subsurface migration of the radioxenons, with eventual release into the atmosphere, can affect the activity ratios due to fractionation. Fractionation can be caused by different diffusivities due to mass differences between the radioxenons. A previous study showed surface arrival time of a chemically inert gaseous tracer is affected by its diffusivity. They observed detectable amount for SF6 50 days after detonation and 375 days for He-3. They predict 50 and 80 days for Xe-133 and Ar-37 respectively. Cyclical changes in atmospheric pressure can drive subsurface gas transport. This barometric pumping phenomenon causes an oscillatoric flow in upward trending fractures which, combined with diffusion into the porous matrix, leads to a net transport of gaseous components - a ratcheting effect. We use a general purpose reservoir simulator (Complex System Modelling Platform, CSMP++) which has been applied in a range of fields such as deep geothermal systems, three-phase black oil simulations , fracture propagation in fractured, porous media, Navier-Stokes pore-scale modelling among others. It is specifically designed to account for structurally complex geologic situation of fractured, porous media. Parabolic differential equations are solved by a continuous Galerkin finite-element method, hyperbolic differential equations by a complementary finite volume method. The parabolic and hyperbolic problem can be solved separately using the operator-splitting method (Implicit Pressure Explicit Saturation, IMPES). The resulting system of linear equations is solved by the algebraic multigrid library SAMG, developed at the Fraunhofer Institute for Algorithms and Scientific Computing. CSMP++ is developed at Montan University of Leoben, ETH Zuerich, Imperial College London and Heriot-Watt University in Edinburgh. To date, there has been no research investigating how subsurface transport impacts isotope activity ratios. The isotopic activity ratio method can be used to discriminate between civil release or nuclear explosion sources. This study examines possible fractionation of Xe-135, Xe-133m, Xe-133, Xe-131m during barometric pumping-driven subsurface migration, which can affect surface arrival times and isotopic activity ratios. Surface arrival times for the Noble gases Kr-81, Kr-85 and Ar-39 are also calculated.

Gypsies in the palace: Experimentalist's view on the use of 3-D physics-based simulation of hillslope hydrological response

USGS Publications Warehouse

James, A.L.; McDonnell, Jeffery J.; Tromp-Van Meerveld, I.; Peters, N.E.

2010-01-01

As a fundamental unit of the landscape, hillslopes are studied for their retention and release of water and nutrients across a wide range of ecosystems. The understanding of these near-surface processes is relevant to issues of runoff generation, groundwater-surface water interactions, catchment export of nutrients, dissolved organic carbon, contaminants (e.g. mercury) and ultimately surface water health. We develop a 3-D physics-based representation of the Panola Mountain Research Watershed experimental hillslope using the TOUGH2 sub-surface flow and transport simulator. A recent investigation of sub-surface flow within this experimental hillslope has generated important knowledge of threshold rainfall-runoff response and its relation to patterns of transient water table development. This work has identified components of the 3-D sub-surface, such as bedrock topography, that contribute to changing connectivity in saturated zones and the generation of sub-surface stormflow. Here, we test the ability of a 3-D hillslope model (both calibrated and uncalibrated) to simulate forested hillslope rainfall-runoff response and internal transient sub-surface stormflow dynamics. We also provide a transparent illustration of physics-based model development, issues of parameterization, examples of model rejection and usefulness of data types (e.g. runoff, mean soil moisture and transient water table depth) to the model enterprise. Our simulations show the inability of an uncalibrated model based on laboratory and field characterization of soil properties and topography to successfully simulate the integrated hydrological response or the distributed water table within the soil profile. Although not an uncommon result, the failure of the field-based characterized model to represent system behaviour is an important challenge that continues to vex scientists at many scales. We focus our attention particularly on examining the influence of bedrock permeability, soil anisotropy and drainable porosity on the development of patterns of transient groundwater and sub-surface flow. Internal dynamics of transient water table development prove to be essential in determining appropriate model parameterization. ?? 2010 John Wiley & Sons, Ltd.

Holocene evolution of the North Atlantic subsurface transport

NASA Astrophysics Data System (ADS)

Repschläger, Janne; Garbe-Schönberg, Dieter; Weinelt, Mara; Schneider, Ralph

2017-04-01

Previous studies suggested that short-term freshening events in the subpolar gyre can be counterbalanced by advection of saline waters from the subtropical gyre and thus stabilize the Atlantic Meridional Overturning Circulation (AMOC). However, little is known about the inter-gyre transport pathways. Here, we infer changes in surface and subsurface transport between the subtropical and polar North Atlantic during the last 11 000 years, by combining new temperature and salinity reconstructions obtained from combined δ18O and Mg / Ca measurements on surface and subsurface dwelling foraminifera with published foraminiferal abundance data from the subtropical North Atlantic, and with salinity and temperature data from the tropical and subpolar North Atlantic. This compilation implies an overall stable subtropical warm surface water transport since 10 ka BP. In contrast, subsurface warm water transport started at about 8 ka but still with subsurface heat storage in the subtropical gyre. The full strength of intergyre exchange was probably reached only after the onset of northward transport of warm saline subsurface waters at about 7 ka BP, associated with the onset of the modern AMOC mode. A critical evaluation of different potential forcing mechanisms leads to the assumption that freshwater supply from the Laurentide Ice Sheet was the main control on subtropical to subpolar ocean transport at surface and subsurface levels.

Resolving the Multi-scale Behavior of Geochemical Weathering in the Critical Zone Using High Resolution Hydro-geochemical Models

NASA Astrophysics Data System (ADS)

Pandey, S.; Rajaram, H.

2015-12-01

This work investigates hydrologic and geochemical interactions in the Critical Zone (CZ) using high-resolution reactive transport modeling. Reactive transport models can be used to predict the response of geochemical weathering and solute fluxes in the CZ to changes in a dynamic environment, such as those pertaining to human activities and climate change in recent years. The scales of hydrology and geochemistry in the CZ range from days to eons in time and centimeters to kilometers in space. Here, we present results of a multi-dimensional, multi-scale hydro-geochemical model to investigate the role of subsurface heterogeneity on the formation of mineral weathering fronts in the CZ, which requires consideration of many of these spatio-temporal scales. The model is implemented using the reactive transport code PFLOTRAN, an open source subsurface flow and reactive transport code that utilizes parallelization over multiple processing nodes and provides a strong framework for simulating weathering in the CZ. The model is set up to simulate weathering dynamics in the mountainous catchments representative of the Colorado Front Range. Model parameters were constrained based on hydrologic, geochemical, and geophysical observations from the Boulder Creek Critical Zone Observatory (BcCZO). Simulations were performed in fractured rock systems and compared with systems of heterogeneous and homogeneous permeability fields. Tracer simulations revealed that the mean residence time of solutes was drastically accelerated as fracture density increased. In simulations that include mineral reactions, distinct signatures of transport limitations on weathering arose when discrete flow paths were included. This transport limitation was related to both advective and diffusive processes in the highly heterogeneous systems (i.e. fractured media and correlated random permeability fields with σlnk > 3). The well-known time-dependence of mineral weathering rates was found to be the most pronounced in the fractured systems, with a departure from the maximum system-averaged dissolution rate occurring after ~100 kyr followed by a gradual decrease in the reaction rate with time that persists beyond 104 kyr.

Solute transport with time-variable flow paths during upward and downward flux in a heterogeneous unsaturated porous medium

NASA Astrophysics Data System (ADS)

Cremer, Clemens; Neuweiler, Insa; Bechtold, Michel; Vanderborght, Jan

2014-05-01

To acquire knowledge of solute transport through the unsaturated zone in the shallow subsurface is decisive to assess groundwater quality, nutrient cycling or to plan remediation strategies. The shallow subsurface is characterized by structural heterogeneity and strongly influenced by atmospheric conditions. This leads to changing flow directions, strong temporal changes in saturation and heterogeneous water fluxes during infiltration and evaporation events. Recent studies (e.g. Lehmann and Or, 2009; Bechtold et al.,2011) demonstrated the importance of lateral flow and solute transport during evaporation conditions (upward flux). The heterogeneous structure in these studies was constructed using two types of sand with strong material contrasts and arranged in parallel with a vertical orientation. Lateral transport and redistribution of solute from coarse to fine media was observed deeper in the soil column and from fine to coarse close to the soil surface. However, if boundary conditions are reversed due to precipitation, the flow field is not necessarily reversed in the same manner, resulting in entirely different transport patterns for downward and upward flow. Therefore, considering net-flow rates alone is misleading when describing transport under those conditions. In this contribution we analyze transport of a solute in the shallow subsurface to assess effects resulting from the temporal change of heterogeneous soil structures due to dynamic flow conditions. Two-dimensional numerical simulations of unsaturated flow and transport are conducted using a coupled finite volume and random walk particle tracking algorithm to quantify solute transport and leaching rates. Following previous studies (Lehmann and Or, 2009; Bechtold et al., 2011), the chosen domain is composed of two materials, coarse and fine sand, arranged in parallel with a vertical orientation. Hence, one sharp interface of strong material heterogeneity is induced. During evaporation both sands are assumed to stay under liquid-flow dominated evaporation conditions ("stage 1"). Simulations considering dynamic (infiltration-evaporation) and steady (solely infiltration) boundary conditions are carried out. The influence of dynamic boundary conditions (intensity and duration of precipitation and evaporation events) is examined in a multitude of simulations. If flow rates smaller than the saturated hydraulic conductivity of both materials are chosen to be applied as boundary condition, simulation results indicate that the flow field within the domain is exactly reversed. However, if applied flow rates exceed the saturated hydraulic conductivity of one material, the flow field is not just reversed, but different flow paths during downward and upward flow are observed. Results show the tendency of faster solute leaching under dynamic boundary conditions compared to steady infiltration conditions with the same net-infiltration rate. We use a double domain transport method as an upscaled model to reproduce vertically averaged concentration profiles with net flux only and compare the model parameters for information about flow dynamics and soil heterogeneity.

Nested sparse grid collocation method with delay and transformation for subsurface flow and transport problems

NASA Astrophysics Data System (ADS)

Liao, Qinzhuo; Zhang, Dongxiao; Tchelepi, Hamdi

2017-06-01

In numerical modeling of subsurface flow and transport problems, formation properties may not be deterministically characterized, which leads to uncertainty in simulation results. In this study, we propose a sparse grid collocation method, which adopts nested quadrature rules with delay and transformation to quantify the uncertainty of model solutions. We show that the nested Kronrod-Patterson-Hermite quadrature is more efficient than the unnested Gauss-Hermite quadrature. We compare the convergence rates of various quadrature rules including the domain truncation and domain mapping approaches. To further improve accuracy and efficiency, we present a delayed process in selecting quadrature nodes and a transformed process for approximating unsmooth or discontinuous solutions. The proposed method is tested by an analytical function and in one-dimensional single-phase and two-phase flow problems with different spatial variances and correlation lengths. An additional example is given to demonstrate its applicability to three-dimensional black-oil models. It is found from these examples that the proposed method provides a promising approach for obtaining satisfactory estimation of the solution statistics and is much more efficient than the Monte-Carlo simulations.

Subsurface Transport Over Multiple Phases Demonstration Software

DOE Office of Scientific and Technical Information (OSTI.GOV)

2016-01-05

The STOMP simulator is a suite of numerical simulators developed by Pacific Northwest National Laboratory for addressing problems involving coupled multifluid hydrologic, thermal, geochemical, and geomechanical processes in the subsurface. The simulator has been applied to problems concerning environmental remediation, environmental stewardship, carbon sequestration, conventional petroleum production, and the production of unconventional hydrocarbon fuels. The simulator is copyrighted by Battelle Memorial Institute, and is available outside of PNNL via use agreements. To promote the open exchange of scientific ideas the simulator is provided as source code. A demonstration version of the simulator has been developed, which will provide potential newmore » users with an executable (not source code) implementation of the software royalty free. Demonstration versions will be offered via the STOMP website for all currently available operational modes of the simulator. The demonstration versions of the simulator will be configured with the direct banded linear system solver and have a limit of 1,000 active grid cells. This will provide potential new users with an opportunity to apply the code to simple problems, including many of the STOMP short course problems, without having to pay a license fee. Users will be required to register on the STOMP website prior to receiving an executable.« less

Three-Dimensional Multifluid Flow and Transport at the Brooklawn Site near Baton Rouge, LA: A Case Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oostrom, Mart; Truex, Michael J.; Thorne, Paul D.

2007-03-19

Disposal quantities of organic wastes at the Brooklawn Site in Louisiana are suspected to equal nearly 160 Ktons, making this site one of the most contaminated DNAPL sites in the world. Remedial activities at the site include groundwater and dense nonaqueous phase liquid (DNAPL) extraction from recovery wells. DNAPL recovery has markedly declined in recent years, with many of the peripheral wells showing negligible recovery of organic liquids. Three-dimensional simulations of DNAPL movement in the subsurface were conducted using the STOMP simulator, including a new coupled well model. The objectives of this modeling effort were to (1) determine the fatemore » and transport of infiltrated DNAPL, and (2) measure the effects of active recovery through DNAPL pumping. A detailed three-dimensional geologic model of the Brooklawn primary DNAPL disposal area was developed and used as the framework for DNAPL simulations. Additionally, site-specific data were obtained to obtain the most important hydraulic properties of the subsurface related to DNAPL movement and formation of entrapped DNAPL in the laboratory. Besides a simulation using the best available subsurface information, several sensitivity simulations were conducted to assess the effects on DNAPL migration. These simulations include DNAPL pumping, well screen extension, an alternative geology, increased DNAPL density, lower DNAPL viscosity, and more-permeable sand and silt deposits. Results of the simulations were compared to field data that define the extent of DNAPL movement based on where DNAPL has been extracted in the site recovery wells. The model simulations predict no significant reduction in the extent of the DNAPL as a result of pumping. Pumping returns diminish rapidly due to the limited radius of influence of the wells and movement of the DNAPL out of the zone of influence of the wells with a maximum radius of influence of about 6 m. The numerical analysis also demonstrates that it is impractical to extend existing wells or install new wells to retrieve enough DNAPL to affect the overall extent of DNAPL movement.« less

The Subsurface Flow and Transport Laboratory: A New Department of Energy User's Facility for Intermediate-Scale Experimentation

NASA Astrophysics Data System (ADS)

Wietsma, T. W.; Oostrom, M.; Foster, N. S.

2003-12-01

Intermediate-scale experiments (ISEs) for flow and transport are a valuable tool for simulating subsurface features and conditions encountered in the field at government and private sites. ISEs offer the ability to study, under controlled laboratory conditions, complicated processes characteristic of mixed wastes and heterogeneous subsurface environments, in multiple dimensions and at different scales. ISEs may, therefore, result in major cost savings if employed prior to field studies. A distinct advantage of ISEs is that researchers can design physical and/or chemical heterogeneities in the porous media matrix that better approximate natural field conditions and therefore address research questions that contain the additional complexity of processes often encountered in the natural environment. A new Subsurface Flow and Transport Laboratory (SFTL) has been developed for ISE users in the Environmental Spectroscopy & Biogeochemistry Facility in the Environmental Molecular Sciences Laboratory (EMSL) at Pacific Northwest National Laboratory (PNNL). The SFTL offers a variety of columns and flow cells, a new state-of-the-art dual-energy gamma system, a fully automated saturation-pressure apparatus, and analytical equipment for sample processing. The new facility, including qualified staff, is available for scientists interested in collaboration on conducting high-quality flow and transport experiments, including contaminant remediation. Close linkages exist between the SFTL and numerical modelers to aid in experimental design and interpretation. This presentation will discuss the facility and outline the procedures required to submit a proposal to use this unique facility for research purposes. The W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility, is sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

Effect of Natural Abiotic Colloids on the Transport of Lindane (gamma-hexachlorocyclohexane) through Saturated Porous Media: Laboratory Experiments and Model-Based Analysis

NASA Astrophysics Data System (ADS)

Ngueleu Kamangou, S.; Cirpka, O. A.; Grathwohl, P.

2012-04-01

In many developing countries, the hygienic situation has improved by changing from surface-water bodies to groundwater as drinking water resource. However, failures have frequently been reported, presumably caused by wrong design of groundwater extraction (e.g., wells too close to open-water bodies, landfill leachates or agricultural areas). Moreover threat to groundwater pollution is enhanced when colloidal particles in the subsurface can act as carriers for adsorbing contaminants such as hydrophobic chlorinated organic contaminants. In this study, the main objective was to investigate the influence of particles in the size range of colloids on the subsurface transport of pesticides which are known to cause severe health problems. The model pesticide was gamma-hexachlorocyclohexane, a representative hydrophobic insecticide which is still used mainly in tropical countries. Colloid-facilitated transport was carried out by considering a first case where the adsorption of the contaminant to the particles is at equilibrium before getting simultaneously transported, and a second case where this equilibrium was not reached before their transport. Another focus besides colloid-facilitated transport was placed on the release of the contaminant from trapped colloids. Data analysis was done with the help of numerical modeling and the minimum model complexity needed to simulate such transports was examined.

Numerical simulation of trace element transport on subsurface environment pollution in coal mine spoil.

PubMed

Qiang, Xue; Bing, Liang; Hui-yun, Wang; Lei, Liu

2006-01-01

An understanding of the dynamic behavior of trace elements leaching from coal mine spoil is important in predicting the groundwater quality. The relationship between trace element concentrations and leaching times, pH values of the media is studied. Column leaching tests conducted in the laboratory showed that there was a close correlation between pH value and trace element concentrations. The longer the leaching time, the higher the trace element concentrations. Different trace elements are differently affected by pH values of leaching media. A numerical model for water flow and trace element transport has been developed based on analyzing the characteristics of migration and transformation of trace elements leached from coal mine spoil. Solutions to the coupled model are accomplished by Eulerian-Lagrangian localized adjoint method. Numerical simulation shows that rainfall intensity determined maximum leaching depth. As rainfall intensity is 3.6ml/s, the outflow concentrations indicate a breakthrough of trace elements beyond the column base, with peak concentration at 90cm depth. And the subsurface pollution range has a trend of increase with time. The model simulations are compared to experimental results of trace element concentrations, with reasonable agreement between them. The analysis and modeling of trace elements suggested that the infiltration of rainwater through the mine spoil might lead to potential groundwater pollution. It provides theoretical evidence for quantitative assessment soil-water quality of trace element transport on environment pollution.

Use of an uncertainty analysis for genome-scale models as a prediction tool for microbial growth processes in subsurface environments.

PubMed

Klier, Christine

2012-03-06

The integration of genome-scale, constraint-based models of microbial cell function into simulations of contaminant transport and fate in complex groundwater systems is a promising approach to help characterize the metabolic activities of microorganisms in natural environments. In constraint-based modeling, the specific uptake flux rates of external metabolites are usually determined by Michaelis-Menten kinetic theory. However, extensive data sets based on experimentally measured values are not always available. In this study, a genome-scale model of Pseudomonas putida was used to study the key issue of uncertainty arising from the parametrization of the influx of two growth-limiting substrates: oxygen and toluene. The results showed that simulated growth rates are highly sensitive to substrate affinity constants and that uncertainties in specific substrate uptake rates have a significant influence on the variability of simulated microbial growth. Michaelis-Menten kinetic theory does not, therefore, seem to be appropriate for descriptions of substrate uptake processes in the genome-scale model of P. putida. Microbial growth rates of P. putida in subsurface environments can only be accurately predicted if the processes of complex substrate transport and microbial uptake regulation are sufficiently understood in natural environments and if data-driven uptake flux constraints can be applied.

TOUGH3: A new efficient version of the TOUGH suite of multiphase flow and transport simulators

NASA Astrophysics Data System (ADS)

Jung, Yoojin; Pau, George Shu Heng; Finsterle, Stefan; Pollyea, Ryan M.

2017-11-01

The TOUGH suite of nonisothermal multiphase flow and transport simulators has been updated by various developers over many years to address a vast range of challenging subsurface problems. The increasing complexity of the simulated processes as well as the growing size of model domains that need to be handled call for an improvement in the simulator's computational robustness and efficiency. Moreover, modifications have been frequently introduced independently, resulting in multiple versions of TOUGH that (1) led to inconsistencies in feature implementation and usage, (2) made code maintenance and development inefficient, and (3) caused confusion to users and developers. TOUGH3-a new base version of TOUGH-addresses these issues. It consolidates both the serial (TOUGH2 V2.1) and parallel (TOUGH2-MP V2.0) implementations, enabling simulations to be performed on desktop computers and supercomputers using a single code. New PETSc parallel linear solvers are added to the existing serial solvers of TOUGH2 and the Aztec solver used in TOUGH2-MP. The PETSc solvers generally perform better than the Aztec solvers in parallel and the internal TOUGH3 linear solver in serial. TOUGH3 also incorporates many new features, addresses bugs, and improves the flexibility of data handling. Due to the improved capabilities and usability, TOUGH3 is more robust and efficient for solving tough and computationally demanding problems in diverse scientific and practical applications related to subsurface flow modeling.

Effects of tillage and application rate on atrazine transport to subsurface drainage: Evaluation of RZWQM using a six-year field study

USDA-ARS?s Scientific Manuscript database

Well-tested agricultural system models can improve our understanding of the water quality effects of management practices under different conditions. The Root Zone Water Quality Model (RZWQM) has been tested under a variety of conditions. However, the current model’s ability to simulate pesticide tr...

Comparison of point-source pollutant loadings to soil and groundwater for 72 chemical substances.

PubMed

Yu, Soonyoung; Hwang, Sang-Il; Yun, Seong-Taek; Chae, Gitak; Lee, Dongsu; Kim, Ki-Eun

2017-11-01

Fate and transport of 72 chemicals in soil and groundwater were assessed by using a multiphase compositional model (CompFlow Bio) because some of the chemicals are non-aqueous phase liquids or solids in the original form. One metric ton of chemicals were assumed to leak in a stylized facility. Scenarios of both surface spills and subsurface leaks were considered. Simulation results showed that the fate and transport of chemicals above the water table affected the fate and transport of chemicals below the water table, and vice versa. Surface spill scenarios caused much less concentrations than subsurface leak scenarios because leaching amounts into the subsurface environment were small (at most 6% of the 1 t spill for methylamine). Then, simulation results were applied to assess point-source pollutant loadings to soil and groundwater above and below the water table, respectively, by multiplying concentrations, impact areas, and durations. These three components correspond to the intensity of contamination, mobility, and persistency in the assessment of pollutant loading, respectively. Assessment results showed that the pollutant loadings in soil and groundwater were linearly related (r 2  = 0.64). The pollutant loadings were negatively related with zero-order and first-order decay rates in both soil (r = - 0.5 and - 0.6, respectively) and groundwater (- 1.0 and - 0.8, respectively). In addition, this study scientifically defended that the soil partitioning coefficient (K d ) significantly affected the pollutant loadings in soil (r = 0.6) and the maximum masses in groundwater (r = - 0.9). However, K d was not a representative factor for chemical transportability unlike the expectation in chemical ranking systems of soil and groundwater pollutants. The pollutant loadings estimated using a physics-based hydrogeological model provided a more rational ranking for exposure assessment, compared to the summation of persistency and transportability scores in the chemical ranking systems. In the surface spill scenario, the pollutant loadings were zeros for all chemicals, except methylamine to soil whose pollutant loading was smaller than that in the subsurface leak scenario by 4 orders of magnitude. The maximum mass and the average mass multiplied by duration in soil greatly depended on leaching fluxes (r = 1.0 and 0.9, respectively), while the effect of leaching fluxes diminished below the water table. The contribution of this work is that a physics-based numerical model was used to quantitatively compare the subsurface pollutant loading in a chemical accident for 72 chemical substances, which can scientifically defend a simpler and more qualitative assessment of pollutant loadings. Besides, this study assessed pollutant loadings to soil (unsaturated zone) and groundwater (saturated zone) all together and discussed their interactions.

IMPACT OF REDOX DISEQUILIBRIA ON CONTAMINANT TRANSPORT AND REMEDIATION IN SUBSURFACE SYSTEMS

EPA Science Inventory

Partitioning to mineral surfaces exerts significant control on inorganic contaminant transport in subsurface systems. Remedial technologies for in-situ treatment of subsurface contamination are frequently designed to optimize the efficiency of contaminant partitioning to solid s...

Small scale changes of geochemistry and flow field due to transient heat storage in aquifers

NASA Astrophysics Data System (ADS)

Bauer, S.; Boockmeyer, A.; Li, D.; Beyer, C.

2013-12-01

Heat exchangers in the subsurface are increasingly installed for transient heat storage due to the need of heating or cooling of buildings as well as the interim storage of heat to compensate for the temporally fluctuating energy production by wind or solar energy. For heat storage to be efficient, high temperatures must be achieved in the subsurface. Significant temporal changes of the soil and groundwater temperatures however effect both the local flow field by temperature dependent fluid parameters as well as reactive mass transport through temperature dependent diffusion coefficients, geochemical reaction rates and mineral equilibria. As the use of heat storage will be concentrated in urban areas, the use of the subsurface for (drinking) water supply and heat storage will typically coincide and a reliable prognosis of the processes occurring is needed. In the present work, the effects of a temporal variation of the groundwater temperature, as induced by a local heat exchanger introduced into a groundwater aquifer, are studied. For this purpose, the coupled non-isothermal groundwater flow, heat transport and reactive mass transport is simulated in the near filed of such a heat exchanger. By explicitly discretizing and incorporating the borehole, the borehole cementation and the heat exchanger tubes, a realistic geometrical and process representation is obtained. The numerical simulation code OpenGeoSys is used in this work, which incorporates the required processes of coupled groundwater flow, heat and mass transport as well as temperature dependent geochemistry. Due to the use of a Finite Element Method, a close representation of the geometric effects can be achieved. Synthetic scenario simulations for typical settings of salt water formations in northern Germany are used to investigate the geochemical effects arising from a high temperature heat storage by quantifying changes in groundwater chemistry and overall reaction rates. This work presents the simulation approach used and results obtained for the synthetic scenarios. The model simulations show that locally in the direct vicinity of the borehole heat exchanger the flow field is changed, causing a ground water convergence and thus a mixing of water in the case of high temperatures. Also, geochemical reactions are induced due to shifting of temperature dependent mineral equilibria. Due to the moving groundwater, the changes are not reversible, and small impacts remain downstream of the borehole heat exchanger. However, the changes depend strongly on the mineral composition of the formation and the formation water present.

A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

PubMed

Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

2007-06-16

This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

Hydraulic fracturing fluid migration in the subsurface: A review and expanded modeling results

NASA Astrophysics Data System (ADS)

Birdsell, Daniel T.; Rajaram, Harihar; Dempsey, David; Viswanathan, Hari S.

2015-09-01

Understanding the transport of hydraulic fracturing (HF) fluid that is injected into the deep subsurface for shale gas extraction is important to ensure that shallow drinking water aquifers are not contaminated. Topographically driven flow, overpressured shale reservoirs, permeable pathways such as faults or leaky wellbores, the increased formation pressure due to HF fluid injection, and the density contrast of the HF fluid to the surrounding brine can encourage upward HF fluid migration. In contrast, the very low shale permeability and capillary imbibition of water into partially saturated shale may sequester much of the HF fluid, and well production will remove HF fluid from the subsurface. We review the literature on important aspects of HF fluid migration. Single-phase flow and transport simulations are performed to quantify how much HF fluid is removed via the wellbore with flowback and produced water, how much reaches overlying aquifers, and how much is permanently sequestered by capillary imbibition, which is treated as a sink term based on a semianalytical, one-dimensional solution for two-phase flow. These simulations include all of the important aspects of HF fluid migration identified in the literature review and are performed in five stages to faithfully represent the typical operation of a hydraulically fractured well. No fracturing fluid reaches the aquifer without a permeable pathway. In the presence of a permeable pathway, 10 times more fracturing fluid reaches the aquifer if well production and capillary imbibition are not included in the model.

nZVI injection into variably saturated soils: Field and modeling study

NASA Astrophysics Data System (ADS)

Chowdhury, Ahmed I. A.; Krol, Magdalena M.; Kocur, Christopher M.; Boparai, Hardiljeet K.; Weber, Kela P.; Sleep, Brent E.; O'Carroll, Denis M.

2015-12-01

Nano-scale zero valent iron (nZVI) has been used at a number of contaminated sites over the last decade. At most of these sites, significant decreases in contaminant concentrations have resulted from the application of nZVI. However, limited work has been completed investigating nZVI field-scale mobility. In this study, a field test was combined with numerical modeling to examine nZVI reactivity along with transport properties in variably saturated soils. The field test consisted of 142 L of carboxymethyle cellulose (CMC) stabilized monometallic nZVI synthesized onsite and injected into a variably saturated zone. Periodic groundwater samples were collected from the injection well, as well as, from two monitoring wells to analyze for chlorinated solvents and other geochemistry indicators. This study showed that CMC stabilized monometallic nZVI was able to decrease tricholorethene (TCE) concentrations in groundwater by more than 99% from the historical TCE concentrations. A three dimensional, three phase, finite difference numerical simulator, (CompSim) was used to further investigate nZVI and polymer transport at the variably saturated site. The model was able to accurately predict the field observed head data without parameter fitting. In addition, the numerical simulator estimated the mass of nZVI delivered to the saturated and unsaturated zones and distinguished the nZVI phase (i.e. aqueous or attached). The simulation results showed that the injected slurry migrated radially outward from the injection well, and therefore nZVI transport was governed by injection velocity and viscosity of the injected solution. A suite of sensitivity analyses was performed to investigate the impact of different injection scenarios (e.g. different volume and injection rate) on nZVI migration. Simulation results showed that injection of a higher nZVI volume delivered more iron particles at a given distance; however, the travel distance was not proportional to the increase in volume. Moreover, simulation results showed that using a 1D transport equation to simulate nZVI migration in the subsurface may overestimate the travel distance. This is because the 1D transport equation assumes a constant velocity while pore water velocity radially decreases from the well during injection. This study suggests that on-site synthesized nZVI particles are mobile in the subsurface and that a numerical simulator can be a valuable tool for optimal design of nZVI field applications.

A field-validated model for in situ transport of polymer-stabilized nZVI and implications for subsurface injection.

PubMed

Krol, Magdalena M; Oleniuk, Andrew J; Kocur, Chris M; Sleep, Brent E; Bennett, Peter; Xiong, Zhong; O'Carroll, Denis M

2013-07-02

Nanoscale zerovalent iron (nZVI) particles have significant potential to remediate contaminated source zones. However, the transport of these particles through porous media is not well understood, especially at the field scale. This paper describes the simulation of a field injection of carboxylmethyl cellulose (CMC) stabilized nZVI using a 3D compositional simulator, modified to include colloidal filtration theory (CFT). The model includes composition dependent viscosity and spatially and temporally variable velocity, appropriate for the simulation of push-pull tests (PPTs) with CMC stabilized nZVI. Using only attachment efficiency as a fitting parameter, model results were in good agreement with field observations when spatially variable viscosity effects on collision efficiency were included in the transport modeling. This implies that CFT-modified transport equations can be used to simulate stabilized nZVI field transport. Model results show that an increase in solution viscosity, resulting from injection of CMC stabilized nZVI suspension, affects nZVI mobility by decreasing attachment as well as changing the hydraulics of the system. This effect is especially noticeable with intermittent pumping during PPTs. Results from this study suggest that careful consideration of nZVI suspension formulation is important for optimal delivery of nZVI which can be facilitated with the use of a compositional simulator.

Real rock-microfluidic flow cell: A test bed for real-time in situ analysis of flow, transport, and reaction in a subsurface reactive transport environment.

PubMed

Singh, Rajveer; Sivaguru, Mayandi; Fried, Glenn A; Fouke, Bruce W; Sanford, Robert A; Carrera, Martin; Werth, Charles J

2017-09-01

Physical, chemical, and biological interactions between groundwater and sedimentary rock directly control the fundamental subsurface properties such as porosity, permeability, and flow. This is true for a variety of subsurface scenarios, ranging from shallow groundwater aquifers to deeply buried hydrocarbon reservoirs. Microfluidic flow cells are now commonly being used to study these processes at the pore scale in simplified pore structures meant to mimic subsurface reservoirs. However, these micromodels are typically fabricated from glass, silicon, or polydimethylsiloxane (PDMS), and are therefore incapable of replicating the geochemical reactivity and complex three-dimensional pore networks present in subsurface lithologies. To address these limitations, we developed a new microfluidic experimental test bed, herein called the Real Rock-Microfluidic Flow Cell (RR-MFC). A porous 500μm-thick real rock sample of the Clair Group sandstone from a subsurface hydrocarbon reservoir of the North Sea was prepared and mounted inside a PDMS microfluidic channel, creating a dynamic flow-through experimental platform for real-time tracking of subsurface reactive transport. Transmitted and reflected microscopy, cathodoluminescence microscopy, Raman spectroscopy, and confocal laser microscopy techniques were used to (1) determine the mineralogy, geochemistry, and pore networks within the sandstone inserted in the RR-MFC, (2) analyze non-reactive tracer breakthrough in two- and (depth-limited) three-dimensions, and (3) characterize multiphase flow. The RR-MFC is the first microfluidic experimental platform that allows direct visualization of flow and transport in the pore space of a real subsurface reservoir rock sample, and holds potential to advance our understandings of reactive transport and other subsurface processes relevant to pollutant transport and cleanup in groundwater, as well as energy recovery. Copyright © 2017 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gutierrez, Marte

Colorado School of Mines conducted research and training in the development and validation of an advanced CO{sub 2} GS (Geological Sequestration) probabilistic simulation and risk assessment model. CO{sub 2} GS simulation and risk assessment is used to develop advanced numerical simulation models of the subsurface to forecast CO2 behavior and transport; optimize site operational practices; ensure site safety; and refine site monitoring, verification, and accounting efforts. As simulation models are refined with new data, the uncertainty surrounding the identified risks decrease, thereby providing more accurate risk assessment. The models considered the full coupling of multiple physical processes (geomechanical and fluidmore » flow) and describe the effects of stochastic hydro-mechanical (H-M) parameters on the modeling of CO{sub 2} flow and transport in fractured porous rocks. Graduate students were involved in the development and validation of the model that can be used to predict the fate, movement, and storage of CO{sub 2} in subsurface formations, and to evaluate the risk of potential leakage to the atmosphere and underground aquifers. The main major contributions from the project include the development of: 1) an improved procedure to rigorously couple the simulations of hydro-thermomechanical (H-M) processes involved in CO{sub 2} GS; 2) models for the hydro-mechanical behavior of fractured porous rocks with random fracture patterns; and 3) probabilistic methods to account for the effects of stochastic fluid flow and geomechanical properties on flow, transport, storage and leakage associated with CO{sub 2} GS. The research project provided the means to educate and train graduate students in the science and technology of CO{sub 2} GS, with a focus on geologic storage. Specifically, the training included the investigation of an advanced CO{sub 2} GS simulation and risk assessment model that can be used to predict the fate, movement, and storage of CO{sub 2} in underground formations, and the evaluation of the risk of potential CO{sub 2} leakage to the atmosphere and underground aquifers.« less

Accelerating Subsurface Transport Simulation on Heterogeneous Clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Villa, Oreste; Gawande, Nitin A.; Tumeo, Antonino

Reactive transport numerical models simulate chemical and microbiological reactions that occur along a flowpath. These models have to compute reactions for a large number of locations. They solve the set of ordinary differential equations (ODEs) that describes the reaction for each location through the Newton-Raphson technique. This technique involves computing a Jacobian matrix and a residual vector for each set of equation, and then solving iteratively the linearized system by performing Gaussian Elimination and LU decomposition until convergence. STOMP, a well known subsurface flow simulation tool, employs matrices with sizes in the order of 100x100 elements and, for numerical accuracy,more » LU factorization with full pivoting instead of the faster partial pivoting. Modern high performance computing systems are heterogeneous machines whose nodes integrate both CPUs and GPUs, exposing unprecedented amounts of parallelism. To exploit all their computational power, applications must use both the types of processing elements. For the case of subsurface flow simulation, this mainly requires implementing efficient batched LU-based solvers and identifying efficient solutions for enabling load balancing among the different processors of the system. In this paper we discuss two approaches that allows scaling STOMP's performance on heterogeneous clusters. We initially identify the challenges in implementing batched LU-based solvers for small matrices on GPUs, and propose an implementation that fulfills STOMP's requirements. We compare this implementation to other existing solutions. Then, we combine the batched GPU solver with an OpenMP-based CPU solver, and present an adaptive load balancer that dynamically distributes the linear systems to solve between the two components inside a node. We show how these approaches, integrated into the full application, provide speed ups from 6 to 7 times on large problems, executed on up to 16 nodes of a cluster with two AMD Opteron 6272 and a Tesla M2090 per node.« less

Numerical simulation of water flow and Nitrate transport through variably saturated porous media in laboratory condition using HYDRUS 2D

NASA Astrophysics Data System (ADS)

Jahangeer, F.; Gupta, P. K.; Yadav, B. K.

2017-12-01

Due to the reducing availability of water resources and the growing competition for water between residential, industrial, and agricultural users, increasing irrigation efficiency, by several methods like drip irrigation, is a demanding concern for agricultural experts. The understanding of the water and contaminants flow through the subsurface is needed for the sustainable irrigation water management, pollution assessment, polluted site remediation and groundwater recharge. In this study, the Windows-based computer software package HYDRUS-2D, which numerically simulates water and solute movement in two-dimensional, variably-saturated porous media, was used to evaluate the distribution of water and Nitrate in the sand tank. The laboratory and simulation experiments were conducted to evaluate the role of drainage, recharge flux, and infiltration on subsurface flow condition and subsequently, on nitrate movement in the subsurface. The water flow in the unsaturated zone model by Richards' equation, which was highly nonlinear and its parameters were largely dependent on the moisture content and pressure head of the partially saturated zone. Following different cases to be considered to evaluate- a) applying drainage and recharge flux to study domains, b) transient infiltration in a vertical soil column and c) subsequently, nitrate transport in 2D sand tank setup. A single porosity model was used for the simulation of water and nitrate flow in the study domain. The results indicate the transient water table position decreases as the time increase significantly by applying drainage flux at the bottom. Similarly, the water table positions in study domains increasing in the domain by applying recharge flux. Likewise, the water flow profile shows the decreasing water table elevation with increasing water content in the vertical domain. Moreover, the nitrate movement was dominated by advective flux and highly affected by the recharge flux in the vertical direction. The findings of the study help to enhance the understanding of the sustainable soil-water resources management and agricultural practices.

THE ONSITE ON-LINE CALCULATORS AND TRAINING FOR SUBSURFACE CONTAMINANT TRANSPORT SITE ASSESSMENT

EPA Science Inventory

EPA has developed a suite of on-line calculators called "OnSite" for assessing transport of environmental contaminants in the subsurface. The purpose of these calculators is to provide methods and data for common calculations used in assessing impacts from subsurface contaminatio...

Connectivity in modelling subsurface stormflow and tracer transport in a forested hillslope

NASA Astrophysics Data System (ADS)

Laine-Kaulio, Hanne; Koivusalo, Harri

2016-04-01

Preferential flow characterizes subsurface water movement in forested hillslopes. Connectivity of preferential flowpaths in soil, as well as connections between the preferential flowpaths and the soil matrix, control the flow patterns in hillslopes. We simulated subsurface stormflow and tracer transport within a forested hillslope section in Eastern Finland with a modifiable and detailed, physically-based 3-D dual-permeability model. The objective was to investigate the role of flowpath connectivity in capturing the observed migration velocity and concentration status of a tracer plume during the different stages of an irrigation experiment. Hypotheses to explain the observed transport behaviour were formulated based on observed spatial variations in the soil properties. The hypotheses were then tested by running corresponding model versions against spatial high-frequency data from the irrigation experiment. The 3-D distribution of preferential flowpaths, and the connections and disconnections between them, had the most crucial role in capturing the observed transport event with the model. Lateral by-pass flow in the preferential flow network and the transmissivity feedback phenomenon dominated the tracer transport. However, disconnections in lateral preferential flow restrained the transport, making the transport route devious instead of being directly lateral. These disconnections were caused by spots of cemented soil material. Stones had an opposite effect on the flow route formation compared to the cemented spots because preferential flowpaths were present on stone surfaces. Preferential flowpaths related to stones were linked with other types of preferential flowpaths in soil, facilitating the connectivity of preferential flowpaths within the entire hillslope. To take into account the discontinuity in lateral preferential flow and the tortuosity of the dominant flow routes in the model, an explicit representation of the 3-D distribution of saturated hydraulic conductivity in the preferential flow network was required. In addition, with-depth changing porosity values of both pore domains of soil, i.e., the preferential flowpaths and the soil matrix, as well as explicit descriptions of local water losses into the underlying bedrock, were found important for successful simulations. Other investigated model features, including complexity in the values of the rest of the model parameters and in the calculation routines used in describing the flow connections between the preferential flowpaths and the soil matrix, were not found beneficial for the model outcome.

PHT3D-UZF: A reactive transport model for variably-saturated porous media

USGS Publications Warehouse

Wu, Ming Zhi; Post, Vincent E. A.; Salmon, S. Ursula; Morway, Eric D.; Prommer, H.

2016-01-01

A modified version of the MODFLOW/MT3DMS-based reactive transport model PHT3D was developed to extend current reactive transport capabilities to the variably-saturated component of the subsurface system and incorporate diffusive reactive transport of gaseous species. Referred to as PHT3D-UZF, this code incorporates flux terms calculated by MODFLOW's unsaturated-zone flow (UZF1) package. A volume-averaged approach similar to the method used in UZF-MT3DMS was adopted. The PHREEQC-based computation of chemical processes within PHT3D-UZF in combination with the analytical solution method of UZF1 allows for comprehensive reactive transport investigations (i.e., biogeochemical transformations) that jointly involve saturated and unsaturated zone processes. Intended for regional-scale applications, UZF1 simulates downward-only flux within the unsaturated zone. The model was tested by comparing simulation results with those of existing numerical models. The comparison was performed for several benchmark problems that cover a range of important hydrological and reactive transport processes. A 2D simulation scenario was defined to illustrate the geochemical evolution following dewatering in a sandy acid sulfate soil environment. Other potential applications include the simulation of biogeochemical processes in variably-saturated systems that track the transport and fate of agricultural pollutants, nutrients, natural and xenobiotic organic compounds and micropollutants such as pharmaceuticals, as well as the evolution of isotope patterns.

Transport of carboxymethyl cellulose stabilized nanoscale zerovalent iron in porous media, an experimental and modeling study

NASA Astrophysics Data System (ADS)

Sleep, Brent; Mondal, Pulin; Furbacher, Paul; Cui, Ziteng; Krol, Magdalena

2015-04-01

Nano-scale zero valent iron (nZVI) is capable of reacting with a wide variety of groundwater contaminants. Therefore, during the last decade nZVI has received significant attention for application in subsurface remediation, particularly for sites contaminated with chlorinated compounds and heavy metals. However, due to agglomeration of the nZVI, delivery into the contaminated subsurface zones is challenging. Polymer stabilization of nZVI can enhance the mobility of the iron particles in the subsurface. In this study, a set of laboratory-scale transport experiments and numerical simulations were performed to evaluate carboxymethyl cellulose (CMC) polymer stabilized nZVI transport in porous media. Experiments were conducted in a two-dimensional water-saturated lab-scale glass-walled sandbox, uniformly packed with silica sand, to identify the effects of water specific discharge and CMC concentration on nZVI transport. Experiments were also performed using Lissamine Green B (LGB) dye as a non-reactive tracer to characterize the sand media. The CMC stabilized nZVI was synthesized freshly at a concentration of 1000 mg/L before each transport experiment. The synthesized CMC-nZVI mixture was characterized using transmission electron microscopy, dynamic light scattering, and UV-visual spectrophotometry. The movement of the LGB dye and nZVI in the sandbox during the experiments was monitored using time-lapsed images captured using a light source and a dark box. The transport of LGB, CMC, and CMC-nZVI was evaluated through analysis of the breakthrough curves at the outlet and the retained nZVI in the sandbox. The LGB, CMC, and nZVI transport was also modeled using a multiphase flow and transport model considering LGB and CMC as solutes, and nZVI as a colloid. Analysis of the breakthrough data showed that the mass recovery of LGB and CMC was greater than 95 % indicating conservative transport in silica sand. However, the mean residence time of CMC was significantly higher than that of LGB due to CMC viscosity effects. Increasing the CMC concentration from 0.2 % to 0.8 % increased nZVI stability, but caused higher pressure drops in the sand box, indicating that use of high CMC concentration may limit the injection rates. The images captured during transport experiments and the total iron analysis of the sand after the transport experiments showed that a significant amount of nZVI was retained in the sandbox. The mass recovery of nZVI was lower than 40 % due to the attachment onto the sand surfaces. The simulation results of LGB, CMC, and nZVI matched the experimental observations and allowed estimation of transport parameters that could be used to predict CMC stabilized nZVI transport under a variety of conditions.

Modeling Radionuclide Decay Chain Migration Using HYDROGEOCHEM

NASA Astrophysics Data System (ADS)

Lin, T. C.; Tsai, C. H.; Lai, K. H.; Chen, J. S.

2014-12-01

Nuclear technology has been employed for energy production for several decades. Although people receive many benefits from nuclear energy, there are inevitably environmental pollutions as well as human health threats posed by the radioactive materials releases from nuclear waste disposed in geological repositories or accidental releases of radionuclides from nuclear facilities. Theoretical studies have been undertaken to understand the transport of radionuclides in subsurface environments because that the radionuclide transport in groundwater is one of the main pathway in exposure scenarios for the intake of radionuclides. The radionuclide transport in groundwater can be predicted using analytical solution as well as numerical models. In this study, we simulate the transport of the radionuclide decay chain using HYDROGEOCHEM. The simulated results are verified against the analytical solution available in the literature. Excellent agreements between the numerical simulation and the analytical are observed for a wide spectrum of concentration. HYDROGECHEM is a useful tool assessing the ecological and environmental impact of the accidental radionuclide releases such as the Fukushima nuclear disaster where multiple radionuclides leaked through the reactor, subsequently contaminating the local groundwater and ocean seawater in the vicinity of the nuclear plant.

Simulation of Groundwater Contaminant Transport at a Decommissioned Landfill Site—A Case Study, Tainan City, Taiwan

PubMed Central

Chen, Chao-Shi; Tu, Chia-Huei; Chen, Shih-Jen; Chen, Cheng-Chung

2016-01-01

Contaminant transport in subsurface water is the major pathway for contamination spread from contaminated sites to groundwater supplies, to remediate a contaminated site. The aim of this paper was to set up the groundwater contaminant transport model for the Wang-Tien landfill site, in southwestern Taiwan, which exhibits high contamination of soil and groundwater and therefore represents a potential threat for the adjacent Hsu-Hsian Creek. Groundwater Modeling System software, which is the most sophisticated groundwater modeling tool available today, was used to numerically model groundwater flow and contaminant transport. In the simulation, the total mass of pollutants in the aquifer increased by an average of 72% (65% for ammonium nitrogen and 79% for chloride) after 10 years. The simulation produced a plume of contaminated groundwater that extends 80 m in length and 20 m in depth northeastward from the landfill site. Although the results show that the concentrations of ammonium nitrogen and chlorides in most parts are low, they are 3.84 and 467 mg/L, respectively, in the adjacent Hsu-Hsian Creek. PMID:27153078

Modeling effluent distribution and nitrate transport through an on-site wastewater system.

PubMed

Hassan, G; Reneau, R B; Hagedorn, C; Jantrania, A R

2008-01-01

Properly functioning on-site wastewater systems (OWS) are an integral component of the wastewater system infrastructure necessary to renovate wastewater before it reaches surface or ground waters. There are a large number of factors, including soil hydraulic properties, effluent quality and dispersal, and system design, that affect OWS function. The ability to evaluate these factors using a simulation model would improve the capability to determine the impact of wastewater application on the subsurface soil environment. An existing subsurface drip irrigation system (SDIS) dosed with sequential batch reactor effluent (SBRE) was used in this study. This system has the potential to solve soil and site problems that limit OWS and to reduce the potential for environmental degradation. Soil water potentials (Psi(s)) and nitrate (NO(3)) migration were simulated at 55- and 120-cm depths within and downslope of the SDIS using a two-dimensional code in HYDRUS-3D. Results show that the average measured Psi(s) were -121 and -319 cm, whereas simulated values were -121 and -322 cm at 55- and 120-cm depths, respectively, indicating unsaturated conditions. Average measured NO(3) concentrations were 0.248 and 0.176 mmol N L(-1), whereas simulated values were 0.237 and 0.152 mmol N L(-1) at 55- and 120-cm depths, respectively. Observed unsaturated conditions decreased the potential for NO(3) to migrate in more concentrated plumes away from the SDIS. The agreement (high R(2) values approximately 0.97) between the measured and simulated Psi(s) and NO(3) concentrations indicate that HYDRUS-3D adequately simulated SBRE flow and NO(3) transport through the soil domain under a range of environmental and effluent application conditions.

Neutron density profile in the lunar subsurface produced by galactic cosmic rays

NASA Astrophysics Data System (ADS)

Ota, Shuya; Sihver, Lembit; Kobayashi, Shingo; Hasebe, Nobuyuki

Neutron production by galactic cosmic rays (GCR) in the lunar subsurface is very important when performing lunar and planetary nuclear spectroscopy and space dosimetry. Further im-provements to estimate the production with increased accuracy is therefore required. GCR, which is a main contributor to the neutron production in the lunar subsurface, consists of not only protons but also of heavy components such as He, C, N, O, and Fe. Because of that, it is important to precisely estimate the neutron production from such components for the lunar spectroscopy and space dosimetry. Therefore, the neutron production from GCR particles in-cluding heavy components in the lunar subsurface was simulated with the Particle and Heavy ion Transport code System (PHITS), using several heavy ion interaction models. This work presents PHITS simulations of the neutron density as a function of depth (neutron density profile) in the lunar subsurface and the results are compared with experimental data obtained by Apollo 17 Lunar Neutron Probe Experiment (LNPE). From our previous study, it has been found that the accuracy of the proton-induced neutron production models is the most influen-tial factor when performing precise calculations of neutron production in the lunar subsurface. Therefore, a benchmarking of proton-induced neutron production models against experimental data was performed to estimate and improve the precision of the calculations. It was found that the calculated neutron production using the best model of Cugnon Old (E < 3 GeV) and JAM (E > 3 GeV) gave up to 30% higher values than experimental results. Therefore, a high energy nuclear data file (JENDL-HE) was used instead of the Cugnon Old model at the energies below 3 GeV. Then, the calculated neutron density profile successfully reproduced the experimental data from LNPE within experimental errors of 15% (measurement) + 30% (systematic). In this presentation, we summarize and discuss our calculated results of neutron production in the lunar subsurface.

Development of stream-subsurface flow module in sub-daily simulation of Escherichia coli using SWAT

NASA Astrophysics Data System (ADS)

Kim, Minjeong; Boithias, Laurie; Cho, Kyung Hwa; Silvera, Norbert; Thammahacksa, Chanthamousone; Latsachack, Keooudone; Rochelle-Newall, Emma; Sengtaheuanghoung, Oloth; Pierret, Alain; Pachepsky, Yakov A.; Ribolzi, Olivier

2017-04-01

Water contaminated with pathogenic bacteria poses a large threat to public health, especially in the rural areas in the tropics where sanitation and drinking water facilities are often lacking. Several studies have used the Soil and Water Assessment Tool (SWAT) to predict the export of in-stream bacteria at a watershed-scale. However, SWAT is limited to in-stream processes, such as die-off, resuspension and, deposition; and it is usually implemented on a daily time step using the SCS Curve Number method, making it difficult to explore the dynamic fate and transport of bacteria during short but intense events such as flash floods in tropical humid montane headwaters. To address these issues, this study implemented SWAT on an hourly time step using the Green-Ampt infiltration method, and tested the effects of subsurface flow (LATQ+GWQ in SWAT) on bacterial dynamics. We applied the modified SWAT model to the 60-ha Houay Pano catchment in Northern Laos, using sub-daily rainfall and discharge measurements, electric conductivity-derived fractions of overland and subsurface flows, suspended sediments concentrations, and the number of fecal indicator organism Escherichia coli monitored at the catchment outlet from 2011 to 2013. We also took into account land use change by delineating the watershed with the 3-year composite land use map. The results show that low subsurface flow of less than 1 mm recovered the underestimation of E. coli numbers during the dry season, while high subsurface flow caused an overestimation during the wet season. We also found that it is more reasonable to apply the stream-subsurface flow interaction to simulate low in-stream bacteria counts. Using fecal bacteria to identify and understand the possible interactions between overland and subsurface flows may well also provide some insight into the fate of other bacteria, such as those involved in biogeochemical fluxes both in-stream and in the adjacent soils and hyporheic zones.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hammond, Glenn Edward; Bao, J; Huang, M

Hyporheic exchange is a critical mechanism shaping hydrological and biogeochemical processes along a river corridor. Recent studies on quantifying the hyporheic exchange were mostly limited to local scales due to field inaccessibility, computational demand, and complexity of geomorphology and subsurface geology. Surface flow conditions and subsurface physical properties are well known factors on modulating the hyporheic exchange, but quantitative understanding of their impacts on the strength and direction of hyporheic exchanges at reach scales is absent. In this study, a high resolution computational fluid dynamics (CFD) model that couples surface and subsurface flow and transport is employed to simulate hyporheicmore » exchanges in a 7-km long reach along the main-stem of the Columbia River. Assuming that the hyporheic exchange does not affect surface water flow conditions due to its negligible magnitude compared to the volume and velocity of river water, we developed a one-way coupled surface and subsurface water flow model using the commercial CFD software STAR-CCM+. The model integrates the Reynolds-averaged Navier-Stokes (RANS) equation solver with a realizable κ-ε two-layer turbulence model, a two-layer all y + wall treatment, and the volume of fluid (VOF) method, and is used to simulate hyporheic exchanges by tracking the free water-air interface as well as flow in the river and the subsurface porous media. The model is validated against measurements from acoustic Doppler current profiler (ADCP) in the stream water and hyporheic fluxes derived from a set of temperature profilers installed across the riverbed. The validated model is then employed to systematically investigate how hyporheic exchanges are influenced by surface water fluid dynamics strongly regulated by upstream dam operations, as well as subsurface structures (e.g. thickness of riverbed and subsurface formation layers) and hydrogeological properties (e.g. permeability). The results suggest that the thickness of riverbed alluvium layer is the dominant factor for reach-scale hyporheic exchanges, followed by the alluvium permeability, the depth of the underlying impermeable layer, and the assumption of hydrostatic pressure.« less

Influence of hydrological, biogeochemical and temperature transients on subsurface carbon fluxes in a flood plain environment

DOE PAGES

Arora, Bhavna; Spycher, Nicolas F.; Steefel, Carl I.; ...

2016-02-12

Flood plains play a potentially important role in the global carbon cycle. The accumulation of organic matter in flood plains often induces the formation of chemically reduced groundwater and sediments along riverbanks. In this study, our objective is to evaluate the cumulative impact of such reduced zones, water table fluctuations, and temperature gradients on subsurface carbon fluxes in a flood plain at Rifle, Colorado located along the Colorado River. 2-D coupled variably-saturated, non-isothermal flow and biogeochemical reactive transport modeling was applied to improve our understanding of the abiotic and microbially mediated reactions controlling carbon dynamics at the Rifle site. Modelmore » simulations considering only abiotic reactions (thus ignoring microbial reactions) underestimated CO 2 partial pressures observed in the unsaturated zone and severely underestimated inorganic (and overestimated organic) carbon fluxes to the river compared to simulations with biotic pathways. Both model simulations and field observations highlighted the need to include microbial contributions from chemolithoautotrophic processes (e.g., Fe +2 and S -2 oxidation) to match locally-observed high CO 2 concentrations above reduced zones. Observed seasonal variations in CO 2 concentrations in the unsaturated zone could not be reproduced without incorporating temperature gradients in the simulations. Incorporating temperature fluctuations resulted in an increase in the annual groundwater carbon fluxes to the river by 170 % to 3.3 g m -2 d -1, while including water table variations resulted in an overall decrease in the simulated fluxes. We thus conclude that spatial microbial and redox zonation as well as temporal fluctuations of temperature and water table depth contribute significantly to subsurface carbon fluxes in flood plains and need to be represented appropriately in model simulations.« less

Influence of hydrological, biogeochemical and temperature transients on subsurface carbon fluxes in a flood plain environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arora, Bhavna; Spycher, Nicolas F.; Steefel, Carl I.

2016-02-01

Flood plains play a potentially important role in the global carbon cycle. The accumulation of organic matter in flood plains often induces the formation of chemically reduced groundwater and sediments along riverbanks. In this study, our objective is to evaluate the cumulative impact of such reduced zones, water table fluctuations, and temperature gradients on subsurface carbon fluxes in a flood plain at Rifle, Colorado located along the Colorado River. 2-D coupled variably-saturated, non-isothermal flow and biogeochemical reactive transport modeling was applied to improve our understanding of the abiotic and microbially mediated reactions controlling carbon dynamics at the Rifle site. Modelmore » simulations considering only abiotic reactions (thus ignoring microbial reactions) underestimated CO2 partial pressures observed in the unsaturated zone and severely underestimated inorganic (and overestimated organic) carbon fluxes to the river compared to simulations with biotic pathways. Both model simulations and field observations highlighted the need to include microbial contributions from chemolithoautotrophic processes (e.g., Fe?2 and S-2 oxidation) to match locally-observed high CO2 concentrations above reduced zones. Observed seasonal variations in CO2 concentrations in the unsaturated zone could not be reproduced without incorporating temperature gradients in the simulations. Incorporating temperature fluctuations resulted in an increase in the annual groundwater carbon fluxes to the river by 170 % to 3.3 g m-2 d-1, while including water table variations resulted in an overall decrease in the simulated fluxes. We conclude that spatial microbial and redox zonation as well as temporal fluctuations of temperature and water table depth contribute significantly to subsurface carbon fluxes in flood plains and need to be represented appropriately in model simulations.« less

Impact of topography on groundwater salinization due to ocean surge inundation

NASA Astrophysics Data System (ADS)

Yu, Xuan; Yang, Jie; Graf, Thomas; Koneshloo, Mohammad; O'Neal, Michael A.; Michael, Holly A.

2016-08-01

Sea-level rise and increases in the frequency and intensity of ocean surges caused by climate change are likely to exacerbate adverse effects on low-lying coastal areas. The landward flow of water during ocean surges introduces salt to surficial coastal aquifers and threatens groundwater resources. Coastal topographic features (e.g., ponds, dunes, barrier islands, and channels) likely have a strong impact on overwash and salinization processes, but are generally highly simplified in modeling studies. To understand topographic impacts on groundwater salinization, we modeled a theoretical overwash event and variable-density groundwater flow and salt transport in 3-D using the fully coupled surface and subsurface numerical simulator, HydroGeoSphere. The model simulates the coastal aquifer as an integrated system considering overland flow, coupled surface and subsurface exchange, variably saturated flow, and variable-density groundwater flow. To represent various coastal landscape types, we simulated both synthetic fields and real-world coastal topography from Delaware, USA. The groundwater salinization assessment suggested that the topographic connectivity promoting overland flow controls the volume of aquifer that is salinized. In contrast, the amount of water that can be stored in surface depressions determines the amount of seawater that infiltrates the subsurface and the time for seawater to flush from the aquifer. Our study suggests that topography has a significant impact on groundwater salinization due to ocean surge overwash, with important implications for coastal land management and groundwater vulnerability assessment.

Akuna: An Open Source User Environment for Managing Subsurface Simulation Workflows

NASA Astrophysics Data System (ADS)

Freedman, V. L.; Agarwal, D.; Bensema, K.; Finsterle, S.; Gable, C. W.; Keating, E. H.; Krishnan, H.; Lansing, C.; Moeglein, W.; Pau, G. S. H.; Porter, E.; Scheibe, T. D.

2014-12-01

The U.S. Department of Energy (DOE) is investing in development of a numerical modeling toolset called ASCEM (Advanced Simulation Capability for Environmental Management) to support modeling analyses at legacy waste sites. ASCEM is an open source and modular computing framework that incorporates new advances and tools for predicting contaminant fate and transport in natural and engineered systems. The ASCEM toolset includes both a Platform with Integrated Toolsets (called Akuna) and a High-Performance Computing multi-process simulator (called Amanzi). The focus of this presentation is on Akuna, an open-source user environment that manages subsurface simulation workflows and associated data and metadata. In this presentation, key elements of Akuna are demonstrated, which includes toolsets for model setup, database management, sensitivity analysis, parameter estimation, uncertainty quantification, and visualization of both model setup and simulation results. A key component of the workflow is in the automated job launching and monitoring capabilities, which allow a user to submit and monitor simulation runs on high-performance, parallel computers. Visualization of large outputs can also be performed without moving data back to local resources. These capabilities make high-performance computing accessible to the users who might not be familiar with batch queue systems and usage protocols on different supercomputers and clusters.

Application of a pore-scale reactive transport model to a natural analog for reaction-induced pore alterations

DOE PAGES

Yoon, Hongkyu; Major, Jonathan; Dewers, Thomas; ...

2017-01-05

Dissolved CO 2 in the subsurface resulting from geological CO 2 storage may react with minerals in fractured rocks, confined aquifers, or faults, resulting in mineral precipitation and dissolution. The overall rate of reaction can be affected by coupled processes including hydrodynamics, transport, and reactions at the (sub) pore-scale. In this work pore-scale modeling of coupled fluid flow, reactive transport, and heterogeneous reactions at the mineral surface is applied to account for permeability alterations caused by precipitation-induced pore-blocking. This paper is motivated by observations of CO 2 seeps from a natural CO 2 sequestration analog, Crystal Geyser, Utah. Observations alongmore » the surface exposure of the Little Grand Wash fault indicate the lateral migration of CO 2 seep sites (i.e., alteration zones) of 10–50 m width with spacing on the order of ~100 m over time. Sandstone permeability in alteration zones is reduced by 3–4 orders of magnitude by carbonate cementation compared to unaltered zones. One granular porous medium and one fracture network systems are used to conceptually represent permeable porous media and locations of conduits controlled by fault-segment intersections and/or topography, respectively. Simulation cases accounted for a range of reaction regimes characterized by the Damköhler (Da) and Peclet (Pe) numbers. Pore-scale simulation results demonstrate that combinations of transport (Pe), geochemical conditions (Da), solution chemistry, and pore and fracture configurations contributed to match key patterns observed in the field of how calcite precipitation alters flow paths by pore plugging. This comparison of simulation results with field observations reveals mechanistic explanations of the lateral migration and enhances our understanding of subsurface processes associated with the CO 2 injection. In addition, permeability and porosity relations are constructed from pore-scale simulations which account for a range of reaction regimes characterized by the Da and Pe numbers. Finally, the functional relationships obtained from pore-scale simulations can be used in a continuum scale model that may account for large-scale phenomena mimicking lateral migration of surface CO 2 seeps.« less

Modeling solute transport in a heterogeneous unsaturated porous medium under dynamic boundary conditions on different spatial scales

NASA Astrophysics Data System (ADS)

Cremer, Clemens; Neuweiler, Insa; Bechtold, Michel

2013-04-01

Understanding transport of solutes/contaminants through unsaturated soil in the shallow subsurface is vital to assess groundwater quality, nutrient cycling or to plan remediation projects. Alternating precipitation and evaporation conditions causing upward and downward flux with differing flow paths, changes in saturation and related structural heterogeneity make the description of transport in the unsaturated zone near the soil-surface a complex problem. Preferential flow paths strongly depend, among other things, on the saturation of a medium. Recent studies (e.g. Bechtold et al., 2011) showed lateral flow and solute transport during evaporation conditions (upward flux) in vertically layered sand columns. Results revealed that during evaporation water and solute are redistributed laterally from coarse to fine media deeper in the soil, and towards zones of lowest hydraulic head near to the soil surface. These zones at the surface can be coarse or fine grained depending on saturation status and evaporation flux. However, if boundary conditions are reversed and precipitation is applied, the flow field is not reversed in the same manner, resulting in entirely different transport patterns for downward and upward flow. Therefore, considering net-flow rates alone is misleading when describing transport in the shallow unsaturated zone. In this contribution, we analyze transport of a solute in the shallow subsurface to assess effects resulting from the superposition of heterogeneous soil structures and dynamic flow conditions on various spatial scales. Two-dimensional numerical simulations of unsaturated flow and transport in heterogeneous porous media under changing boundary conditions are carried out using a finite-volume code coupled to a particle tracking algorithm to quantify solute transport and leaching rates. In order to validate numerical simulations, results are qualitatively compared to those of a physical experiment (Bechtold et al., 2011). Numerical simulations differ in lateral scale reaching from 0.2 m to 1.5 m, while the height of the domain is kept constant to 1.5m. Strong material heterogeneity is realized through vertical layers of coarse and fine sand. Both materials remain permanently under liquid-flow-dominated ('stage1') evaporation conditions. Spatial moments as well as the dilution index (Kitanidis, 1994) are used for quantification of transport behaviour. Results show that, while all simulations led to anomalous transport, infiltration-evaporation cycles lead to faster solute leaching rates than solely infiltration at the same net-infiltration rate in both homogeneous and heterogeneous media. Flow and transport-paths significantly differed between infiltration and evaporation, resulting in lateral water fluxes and hence lateral solute transport. Variation of the width of the model domain shows faster leaching rates for domains with small horizontal extent.

Thermal Impact of Medium Deep Borehole Thermal Energy Storage on the Shallow Subsurface

NASA Astrophysics Data System (ADS)

Welsch, Bastian; Schulte, Daniel O.; Rühaak, Wolfram; Bär, Kristian; Sass, Ingo

2017-04-01

Borehole heat exchanger arrays are a well-suited and already widely applied method for exploiting the shallow subsurface as seasonal heat storage. However, in most of the populated regions the shallow subsurface also comprises an important aquifer system used for drinking water production. Thus, the operation of shallow geothermal heat storage systems leads to a significant increase in groundwater temperatures in the proximity of the borehole heat exchanger array. The magnitude of the impact on groundwater quality and microbiology associated with this temperature rise is controversially discussed. Nevertheless, the protection of shallow groundwater resources has priority. Accordingly, water authorities often follow restrictive permission policies for building such storage systems. An alternative approach to avoid this issue is the application of medium deep borehole heat exchanger arrays instead of shallow ones. The thermal impact on shallow aquifers can be significantly reduced as heat is stored at larger depth. Moreover, it can be further diminished by the installation of a thermally insulating materials in the upper section of the borehole heat exchangers. Based on a numerical simulation study, the advantageous effects of medium deep borehole thermal energy storage are demonstrated and quantified. A finite element software is used to model the heat transport in the subsurface in 3D, while the heat transport in the borehole heat exchangers is solved analytically in 1D. For this purpose, an extended analytical solution is implemented, which also allows for the consideration of a thermally insulating borehole section.

Subsurface phosphorus transport through a no-till field in the semi arid Palouse region

NASA Astrophysics Data System (ADS)

Norby, J. C.; Brooks, E. S.; Strawn, D. G.

2017-12-01

Excess application of fertilizers containing nitrogen and phosphorus for farming use has led to ongoing water quality issues in the United States. When these nutrients leave agronomic systems, and enter water bodies in large quantities, algal bloom and eutrophication can occur. Extensive studies focusing on phosphorus as a pollutant from agronomic systems have been conducted in the many regions of the United States; however, there has been a lack of studies completed in the semiarid Palouse region of eastern Washington and western Idaho. The goal of this research study was to better understand how no-till farm management has altered soil P temporally and the current availability for off-site transport of P throughout an artificially drained catchment at the Cook Agronomy Farm in Pullman, WA. We also attempted to determine the processes responsible for subsurface flow of phosphorus, specifically through preferential flow pathways. Dissolved reactive P (DRP)concentrations of subsurface drainage from a artificial drain exceeded TMDL threshold concentrations during numerous seasonal high flow events over the two-year study time frame. Soil analyses show a highly variable distribution of water-extractable P across the sub-catchment area and initial results suggest a translocation of P species deeper into the soil profile after implementing no-till practices in 1998. We hypothesized that a greater network of macropores from lack of soil disturbance allow for preferential flow of nutrient-laden water deeper into the subsurface and to the artificial drain system. Simulated flow experiments on soil cores from the study site showed large-scale macropore development, extreme variability in soil conductivity, and high P adsorption potential for the soils, suggesting a disconnect between P movement through macropore soil and subsurface drainage water rich in DRP at the artificial drain line outlet.

nZVI injection into variably saturated soils: Field and modeling study.

PubMed

Chowdhury, Ahmed I A; Krol, Magdalena M; Kocur, Christopher M; Boparai, Hardiljeet K; Weber, Kela P; Sleep, Brent E; O'Carroll, Denis M

2015-12-01

Nano-scale zero valent iron (nZVI) has been used at a number of contaminated sites over the last decade. At most of these sites, significant decreases in contaminant concentrations have resulted from the application of nZVI. However, limited work has been completed investigating nZVI field-scale mobility. In this study, a field test was combined with numerical modeling to examine nZVI reactivity along with transport properties in variably saturated soils. The field test consisted of 142L of carboxymethyle cellulose (CMC) stabilized monometallic nZVI synthesized onsite and injected into a variably saturated zone. Periodic groundwater samples were collected from the injection well, as well as, from two monitoring wells to analyze for chlorinated solvents and other geochemistry indicators. This study showed that CMC stabilized monometallic nZVI was able to decrease tricholorethene (TCE) concentrations in groundwater by more than 99% from the historical TCE concentrations. A three dimensional, three phase, finite difference numerical simulator, (CompSim) was used to further investigate nZVI and polymer transport at the variably saturated site. The model was able to accurately predict the field observed head data without parameter fitting. In addition, the numerical simulator estimated the mass of nZVI delivered to the saturated and unsaturated zones and distinguished the nZVI phase (i.e. aqueous or attached). The simulation results showed that the injected slurry migrated radially outward from the injection well, and therefore nZVI transport was governed by injection velocity and viscosity of the injected solution. A suite of sensitivity analyses was performed to investigate the impact of different injection scenarios (e.g. different volume and injection rate) on nZVI migration. Simulation results showed that injection of a higher nZVI volume delivered more iron particles at a given distance; however, the travel distance was not proportional to the increase in volume. Moreover, simulation results showed that using a 1D transport equation to simulate nZVI migration in the subsurface may overestimate the travel distance. This is because the 1D transport equation assumes a constant velocity while pore water velocity radially decreases from the well during injection. This study suggests that on-site synthesized nZVI particles are mobile in the subsurface and that a numerical simulator can be a valuable tool for optimal design of nZVI field applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Efficient high-dimensional characterization of conductivity in a sand box using massive MRI-imaged concentration data

NASA Astrophysics Data System (ADS)

Lee, J. H.; Yoon, H.; Kitanidis, P. K.; Werth, C. J.; Valocchi, A. J.

2015-12-01

Characterizing subsurface properties, particularly hydraulic conductivity, is crucial for reliable and cost-effective groundwater supply management, contaminant remediation, and emerging deep subsurface activities such as geologic carbon storage and unconventional resources recovery. With recent advances in sensor technology, a large volume of hydro-geophysical and chemical data can be obtained to achieve high-resolution images of subsurface properties, which can be used for accurate subsurface flow and reactive transport predictions. However, subsurface characterization with a plethora of information requires high, often prohibitive, computational costs associated with "big data" processing and large-scale numerical simulations. As a result, traditional inversion techniques are not well-suited for problems that require coupled multi-physics simulation models with massive data. In this work, we apply a scalable inversion method called Principal Component Geostatistical Approach (PCGA) for characterizing heterogeneous hydraulic conductivity (K) distribution in a 3-D sand box. The PCGA is a Jacobian-free geostatistical inversion approach that uses the leading principal components of the prior information to reduce computational costs, sometimes dramatically, and can be easily linked with any simulation software. Sequential images of transient tracer concentrations in the sand box were obtained using magnetic resonance imaging (MRI) technique, resulting in 6 million tracer-concentration data [Yoon et. al., 2008]. Since each individual tracer observation has little information on the K distribution, the dimension of the data was reduced using temporal moments and discrete cosine transform (DCT). Consequently, 100,000 unknown K values consistent with the scale of MRI data (at a scale of 0.25^3 cm^3) were estimated by matching temporal moments and DCT coefficients of the original tracer data. Estimated K fields are close to the true K field, and even small-scale variability of the sand box was captured to highlight high K connectivity and contrasts between low and high K zones. Total number of 1,000 MODFLOW and MT3DMS simulations were required to obtain final estimates and corresponding estimation uncertainty, showing the efficiency and effectiveness of our method.

Modeling dissolution and volatilization of LNAPL sources migrating on the groundwater table.

PubMed

Kim, Jeongkon; Corapcioglu, M Yavuz

2003-08-01

A vertically averaged two-dimensional model was developed to describe areal spreading and migration of light nonaqueous-phase liquids (LNAPLs) introduced into the subsurface by spills or leaks from underground storage tanks. The NAPL transport model was coupled with two-dimensional contaminant transport models to predict contamination of soil gas and groundwater resulting from a LNAPL migrating on the water table. Numerical solutions were obtained by using the finite-difference method. Simulations and sensitivity analyses were conducted with a LNAPL of pure benzene to study LNAPL migration and groundwater contamination. The model was applied to subsurface contamination by jet fuel. Results indicated that LNAPL migration were affected mostly by volatilization. The generation and movement of the dissolved plume was affected by the geology of the site and the free-product plume. Most of the spilled mass remained as a free LNAPL phase 20 years after the spill. The migration of LNAPL for such a long period resulted in the contamination of both groundwater and a large volume of soil.

Discharge-nitrate data clustering for characterizing surface-subsurface flow interaction and calibration of a hydrologic model

NASA Astrophysics Data System (ADS)

Shrestha, R. R.; Rode, M.

2008-12-01

Concentration of reactive chemicals has different chemical signatures in baseflow and surface runoff. Previous studies on nitrate export from a catchment indicate that the transport processes are driven by subsurface flow. Therefore nitrate signature can be used for understanding the event and pre-event contributions to streamflow and surface-subsurface flow interactions. The study uses flow and nitrate concentration time series data for understanding the relationship between these two variables. Unsupervised artificial neural network based learning method called self organizing map is used for the identification of clusters in the datasets. Based on the cluster results, five different pattern in the datasets are identified which correspond to (i) baseflow, (ii) subsurface flow increase, (iii) surface runoff increase, (iv) surface runoff recession, and (v) subsurface flow decrease regions. The cluster results in combination with a hydrologic model are used for discharge separation. For this purpose, a multi-objective optimization tool NSGA-II is used, where violation of cluster results is used as one of the objective functions. The results show that the use of cluster results as supplementary information for the calibration of a hydrologic model gives a plausible simulation of subsurface flow as well total runoff at the catchment outlet. The study is undertaken using data from the Weida catchment in the North-Eastern Germany, which is a sub-catchment of the Weisse Elster river in the Elbe river basin.

Knowledge and understanding of dissolved solids in the Rio Grande–San Acacia, New Mexico, to Fort Quitman, Texas, and plan for future studies and monitoring

USGS Publications Warehouse

Moyer, Douglas; Anderholm, Scott K.; Hogan, James F.; Phillips, Fred M.; Hibbs, Barry J.; Witcher, James C.; Matherne, Anne Marie; Falk, Sarah E.

2013-01-01

-Focused Hydrogeology Studies at Inflow Sources: Map dissolved-solids concentrations in the Rio Grande and underlying alluvial aquifer; perform hydrogeologic characterization of subsurface areas containing unusually high concentrations of dissolved solids. -Modeling of Dissolved Solids: Develop models to simulate the transport and storage of dissolved solids in both surface-water and groundwater systems.

Water and Solute Flux Simulation Using Hydropedology Survey Data in South African Catchments

NASA Astrophysics Data System (ADS)

Lorentz, Simon; van Tol, Johan; le Roux, Pieter

2017-04-01

Hydropedology surveys include linking soil profile information in hillslope transects in order to define dominant subsurface flow mechanisms and pathways. This information is useful for deriving hillslope response functions, which aid storage and travel time estimates of water and solute movement in the sub-surface. In this way, the "soft" data of the hydropedological survey can be included in simple hydrological models, where detailed modelling of processes and pathways is prohibitive. Hydropedology surveys were conducted in two catchments and the information used to improve the prediction of water and solute responses. Typical hillslope response functions are then derived using a 2-D finite element model of the hydropedological features. Similar response types are mapped. These mapped response units are invoked in a simple SCS based, hydrological and solute transport model to yield water and solute fluxes at the catchment outlets. The first catchment (1.6 km2) comprises commercial forestry in a sedimentary geology of sandstone and mudstone formation while the second catchment (6.1 km2) includes mine waste impoundments in a granitic geology. In this paper, we demonstrate the method of combining hydropedological interpretation with catchment hydrology and solute transport simulation. The forested catchment, with three dominant hillslope response types, have solute response times in excess of 90 days, whereas the granitic responses occur within 10 days. The use of the hydropedological data improves the solute distribution response and storage simulation, compared to simulations without the hydropedology interpretation. The hydrological responses are similar, with and without the use of the hydropedology data, but the simulated distribution of water in the catchment is improved using the techniques demonstrated.

An Advanced Reservoir Simulator for Tracer Transport in Multicomponent Multiphase Compositional Flow and Applications to the Cranfield CO2 Sequestration Site

NASA Astrophysics Data System (ADS)

Moortgat, J.

2015-12-01

Reservoir simulators are widely used to constrain uncertainty in the petrophysical properties of subsurface formations by matching the history of injection and production data. However, such measurements may be insufficient to uniquely characterize a reservoir's properties. Monitoring of natural (isotopic) and introduced tracers is a developing technology to further interrogate the subsurface for applications such as enhanced oil recovery from conventional and unconventional resources, and CO2 sequestration. Oak Ridge National Laboratory has been piloting this tracer technology during and following CO2 injection at the Cranfield, Mississippi, CO2 sequestration test site. Two campaigns of multiple perfluorocarbon tracers were injected together with CO2 and monitored at two wells at 68 m and 112 m from the injection site. The tracer data suggest that multiple CO2 flow paths developed towards the monitoring wells, indicative of either channeling through high permeability pathways or of fingering. The results demonstrate that tracers provide an important complement to transient pressure data. Numerical modeling is essential to further explain and interpret the observations. To aid the development of tracer technology, we enhanced a compositional multiphase reservoir simulator to account for tracer transport. Our research simulator uses higher-order finite element (FE) methods that can capture the small-scale onset of fingering on the coarse grids required for field-scale modeling, and allows for unstructured grids and anisotropic heterogeneous permeability fields. Mass transfer between fluid phases and phase behavior are modeled with rigorous equation-of-state based phase-split calculations. We present our tracer simulator and preliminary results related to the Cranfield experiments. Applications to noble gas tracers in unconventional resources are presented by Darrah et al.

Microbially Mediated Kinetic Sulfur Isotope Fractionation: Reactive Transport Modeling Benchmark

NASA Astrophysics Data System (ADS)

Wanner, C.; Druhan, J. L.; Cheng, Y.; Amos, R. T.; Steefel, C. I.; Ajo Franklin, J. B.

2014-12-01

Microbially mediated sulfate reduction is a ubiquitous process in many subsurface systems. Isotopic fractionation is characteristic of this anaerobic process, since sulfate reducing bacteria (SRB) favor the reduction of the lighter sulfate isotopologue (S32O42-) over the heavier isotopologue (S34O42-). Detection of isotopic shifts have been utilized as a proxy for the onset of sulfate reduction in subsurface systems such as oil reservoirs and aquifers undergoing uranium bioremediation. Reactive transport modeling (RTM) of kinetic sulfur isotope fractionation has been applied to field and laboratory studies. These RTM approaches employ different mathematical formulations in the representation of kinetic sulfur isotope fractionation. In order to test the various formulations, we propose a benchmark problem set for the simulation of kinetic sulfur isotope fractionation during microbially mediated sulfate reduction. The benchmark problem set is comprised of four problem levels and is based on a recent laboratory column experimental study of sulfur isotope fractionation. Pertinent processes impacting sulfur isotopic composition such as microbial sulfate reduction and dispersion are included in the problem set. To date, participating RTM codes are: CRUNCHTOPE, TOUGHREACT, MIN3P and THE GEOCHEMIST'S WORKBENCH. Preliminary results from various codes show reasonable agreement for the problem levels simulating sulfur isotope fractionation in 1D.

Nutrient loss in leachate and surface runoff from surface-broadcast and subsurface-banded broiler litter.

PubMed

Lamba, Jasmeet; Srivastava, Puneet; Way, Thomas R; Sen, Sumit; Wood, C Wesley; Yoo, Kyung H

2013-09-01

Subsurface band application of poultry litter has been shown to reduce the transport of nutrients from fields in surface runoff compared with conventional surface broadcast application. Little research has been conducted to determine the effects of surface broadcast application and subsurface banding of litter on nutrients in leachate. Therefore, a field experiment was conducted to determine the effects of subsurface band application and surface broadcast application of poultry litter on nutrient losses in leachate. Zero-tension pan and passive capillary fiberglass wick lysimeters were installed in situ 50 cm beneath the soil surface of an established tall fescue ( Schreb.) pasture on a sandy loam soil. The treatments were surface broadcast and subsurface-banded poultry litter at 5 Mg ha and an unfertilized control. Results of the rainfall simulations showed that the concentrations of PO-P and total phosphorus (TP) in leachate were reduced by 96 and 37%, respectively, in subsurface-banded litter treatment compared with the surface-applied litter treatment. There was no significant difference in PO-P concentration between control and subsurface-banded litter treatment in leachate. The trend in the loading of nutrients in leachate was similar to the trend in concentration. Concentration and loading of the nutrients (TP, PO-P, NH-N, and NO-N) in runoff from the subsurface-banded treatment were significantly less than for the surface-applied treatment and were similar to those from control plots. These results show that, compared with conventional surface broadcast application of litter, subsurface band application of litter can greatly reduce loss of P in surface runoff and leachate. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Modeling variably saturated subsurface solute transport with MODFLOW-UZF and MT3DMS

USGS Publications Warehouse

Morway, Eric D.; Niswonger, Richard G.; Langevin, Christian D.; Bailey, Ryan T.; Healy, Richard W.

2013-01-01

The MT3DMS groundwater solute transport model was modified to simulate solute transport in the unsaturated zone by incorporating the unsaturated-zone flow (UZF1) package developed for MODFLOW. The modified MT3DMS code uses a volume-averaged approach in which Lagrangian-based UZF1 fluid fluxes and storage changes are mapped onto a fixed grid. Referred to as UZF-MT3DMS, the linked model was tested against published benchmarks solved analytically as well as against other published codes, most frequently the U.S. Geological Survey's Variably-Saturated Two-Dimensional Flow and Transport Model. Results from a suite of test cases demonstrate that the modified code accurately simulates solute advection, dispersion, and reaction in the unsaturated zone. Two- and three-dimensional simulations also were investigated to ensure unsaturated-saturated zone interaction was simulated correctly. Because the UZF1 solution is analytical, large-scale flow and transport investigations can be performed free from the computational and data burdens required by numerical solutions to Richards' equation. Results demonstrate that significant simulation runtime savings can be achieved with UZF-MT3DMS, an important development when hundreds or thousands of model runs are required during parameter estimation and uncertainty analysis. Three-dimensional variably saturated flow and transport simulations revealed UZF-MT3DMS to have runtimes that are less than one tenth of the time required by models that rely on Richards' equation. Given its accuracy and efficiency, and the wide-spread use of both MODFLOW and MT3DMS, the added capability of unsaturated-zone transport in this familiar modeling framework stands to benefit a broad user-ship.

Modeling variably saturated subsurface solute transport with MODFLOW-UZF and MT3DMS.

PubMed

Morway, Eric D; Niswonger, Richard G; Langevin, Christian D; Bailey, Ryan T; Healy, Richard W

2013-03-01

The MT3DMS groundwater solute transport model was modified to simulate solute transport in the unsaturated zone by incorporating the unsaturated-zone flow (UZF1) package developed for MODFLOW. The modified MT3DMS code uses a volume-averaged approach in which Lagrangian-based UZF1 fluid fluxes and storage changes are mapped onto a fixed grid. Referred to as UZF-MT3DMS, the linked model was tested against published benchmarks solved analytically as well as against other published codes, most frequently the U.S. Geological Survey's Variably-Saturated Two-Dimensional Flow and Transport Model. Results from a suite of test cases demonstrate that the modified code accurately simulates solute advection, dispersion, and reaction in the unsaturated zone. Two- and three-dimensional simulations also were investigated to ensure unsaturated-saturated zone interaction was simulated correctly. Because the UZF1 solution is analytical, large-scale flow and transport investigations can be performed free from the computational and data burdens required by numerical solutions to Richards' equation. Results demonstrate that significant simulation runtime savings can be achieved with UZF-MT3DMS, an important development when hundreds or thousands of model runs are required during parameter estimation and uncertainty analysis. Three-dimensional variably saturated flow and transport simulations revealed UZF-MT3DMS to have runtimes that are less than one tenth of the time required by models that rely on Richards' equation. Given its accuracy and efficiency, and the wide-spread use of both MODFLOW and MT3DMS, the added capability of unsaturated-zone transport in this familiar modeling framework stands to benefit a broad user-ship. Published 2012. This article is a U.S. Government work and is in the public domain in the USA.

Methods of producing transportation fuel

DOEpatents

Nair, Vijay [Katy, TX; Roes, Augustinus Wilhelmus Maria [Houston, TX; Cherrillo, Ralph Anthony [Houston, TX; Bauldreay, Joanna M [Chester, GB

2011-12-27

Systems, methods, and heaters for treating a subsurface formation are described herein. At least one method for producing transportation fuel is described herein. The method for producing transportation fuel may include providing formation fluid having a boiling range distribution between -5.degree. C. and 350.degree. C. from a subsurface in situ heat treatment process to a subsurface treatment facility. A liquid stream may be separated from the formation fluid. The separated liquid stream may be hydrotreated and then distilled to produce a distilled stream having a boiling range distribution between 150.degree. C. and 350.degree. C. The distilled liquid stream may be combined with one or more additives to produce transportation fuel.

Fracturing And Liquid CONvection

DOE Office of Scientific and Technical Information (OSTI.GOV)

2012-02-29

FALCON has been developed to enable simulation of the tightly coupled fluid-rock behavior in hydrothermal and engineered geothermal system (EGS) reservoirs, targeting the dynamics of fracture stimulation, fluid flow, rock deformation, and heat transport in a single integrated code, with the ultimate goal of providing a tool that can be used to test the viability of EGS in the United States and worldwide. Reliable reservoir performance predictions of EGS systems require accurate and robust modeling for the coupled thermal-hydrological-mechanical processes. Conventionally, these types of problems are solved using operator-splitting methods, usually by coupling a subsurface flow and heat transport simulatormore » with a solid mechanics simulator via input files. FALCON eliminates the need for using operator-splitting methods to simulate these systems, and the scalability of the underlying MOOSE architecture allows for simulating these tightly coupled processes at the reservoir scale, allowing for examination of the system as a whole (something the operator-splitting methodologies generally cannot do).« less

A 3D object-based model to simulate highly-heterogeneous, coarse, braided river deposits

NASA Astrophysics Data System (ADS)

Huber, E.; Huggenberger, P.; Caers, J.

2016-12-01

There is a critical need in hydrogeological modeling for geologically more realistic representation of the subsurface. Indeed, widely-used representations of the subsurface heterogeneity based on smooth basis functions such as cokriging or the pilot-point approach fail at reproducing the connectivity of high permeable geological structures that control subsurface solute transport. To realistically model the connectivity of high permeable structures of coarse, braided river deposits, multiple-point statistics and object-based models are promising alternatives. We therefore propose a new object-based model that, according to a sedimentological model, mimics the dominant processes of floodplain dynamics. Contrarily to existing models, this object-based model possesses the following properties: (1) it is consistent with field observations (outcrops, ground-penetrating radar data, etc.), (2) it allows different sedimentological dynamics to be modeled that result in different subsurface heterogeneity patterns, (3) it is light in memory and computationally fast, and (4) it can be conditioned to geophysical data. In this model, the main sedimentological elements (scour fills with open-framework-bimodal gravel cross-beds, gravel sheet deposits, open-framework and sand lenses) and their internal structures are described by geometrical objects. Several spatial distributions are proposed that allow to simulate the horizontal position of the objects on the floodplain as well as the net rate of sediment deposition. The model is grid-independent and any vertical section can be computed algebraically. Furthermore, model realizations can serve as training images for multiple-point statistics. The significance of this model is shown by its impact on the subsurface flow distribution that strongly depends on the sedimentological dynamics modeled. The code will be provided as a free and open-source R-package.

Reexamining ultrafiltration and solute transport in groundwater

NASA Astrophysics Data System (ADS)

Neuzil, C. E.; Person, Mark

2017-06-01

Geologic ultrafiltration—slowing of solutes with respect to flowing groundwater—poses a conundrum: it is consistently observed experimentally in clay-rich lithologies, but has been difficult to identify in subsurface data. Resolving this could be important for clarifying clay and shale transport properties at large scales as well as interpreting solute and isotope patterns for applications ranging from nuclear waste repository siting to understanding fluid transport in tectonically active environments. Simulations of one-dimensional NaCl transport across ultrafiltering clay membrane strata constrained by emerging data on geologic membrane properties showed different ultrafiltration effects than have often been envisioned. In relatively high-permeability advection-dominated regimes, salinity increases occurred mostly within membrane units while their effluent salinity initially fell and then rose to match solute delivery. In relatively low-permeability diffusion-dominated regimes, salinity peaked at the membrane upstream boundary and effluent salinity remained low. In both scenarios, however, only modest salinity changes (up to ˜3 g L-1) occurred because of self-limiting tendencies; membrane efficiency declines as salinity rises, and although sediment compaction increases efficiency, it is also decreases permeability and allows diffusive transport to dominate. It appears difficult for ultrafiltration to generate brines as speculated, but widespread and less extreme ultrafiltration effects in the subsurface could be unrecognized. Conditions needed for ultrafiltration are present in settings that include topographically-driven flow systems, confined aquifer systems subjected to injection or withdrawal, compacting basins, and accretionary complexes.

Reexamining ultrafiltration and solute transport in groundwater

USGS Publications Warehouse

Neuzil, Christopher E.; Person, Mark

2017-01-01

Geologic ultrafiltration—slowing of solutes with respect to flowing groundwater—poses a conundrum: it is consistently observed experimentally in clay-rich lithologies, but has been difficult to identify in subsurface data. Resolving this could be important for clarifying clay and shale transport properties at large scales as well as interpreting solute and isotope patterns for applications ranging from nuclear waste repository siting to understanding fluid transport in tectonically active environments. Simulations of one-dimensional NaCl transport across ultrafiltering clay membrane strata constrained by emerging data on geologic membrane properties showed different ultrafiltration effects than have often been envisioned. In relatively high-permeability advection-dominated regimes, salinity increases occurred mostly within membrane units while their effluent salinity initially fell and then rose to match solute delivery. In relatively low-permeability diffusion-dominated regimes, salinity peaked at the membrane upstream boundary and effluent salinity remained low. In both scenarios, however, only modest salinity changes (up to ∼3 g L−1) occurred because of self-limiting tendencies; membrane efficiency declines as salinity rises, and although sediment compaction increases efficiency, it is also decreases permeability and allows diffusive transport to dominate. It appears difficult for ultrafiltration to generate brines as speculated, but widespread and less extreme ultrafiltration effects in the subsurface could be unrecognized. Conditions needed for ultrafiltration are present in settings that include topographically-driven flow systems, confined aquifer systems subjected to injection or withdrawal, compacting basins, and accretionary complexes.

Murt user`s guide: A hybrid Lagrangian-Eulerian finite element model of multiple-pore-region solute transport through subsurface media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gwo, J.P.; Jardine, P.M.; Yeh, G.T.

Matrix diffusion, a diffusive mass transfer process,in the structured soils and geologic units at ORNL, is believe to be an important subsurface mass transfer mechanism; it may affect off-site movement of radioactive wastes and remediation of waste disposal sites by locally exchanging wastes between soil/rock matrix and macropores/fractures. Advective mass transfer also contributes to waste movement but is largely neglected by researchers. This report presents the first documented 2-D multiregion solute transport code (MURT) that incorporates not only diffusive but also advective mass transfer and can be applied to heterogeneous porous media under transient flow conditions. In this report, theoreticalmore » background is reviewed and the derivation of multiregion solute transport equations is presented. Similar to MURF (Gwo et al. 1994), a multiregion subsurface flow code, multiplepore domains as suggested by previous investigators (eg, Wilson and Luxmoore 1988) can be implemented in MURT. Transient or steady-state flow fields of the pore domains can be either calculated by MURF or by modelers. The mass transfer process is briefly discussed through a three-pore-region multiregion solute transport mechanism. Mass transfer equations that describe mass flux across pore region interfaces are also presented and parameters needed to calculate mass transfer coefficients detailed. Three applications of MURT (tracer injection problem, sensitivity analysis of advective and diffusive mass transfer, hillslope ponding infiltration and secondary source problem) were simulated and results discussed. Program structure of MURT and functions of MURT subroutiness are discussed so that users can adapt the code; guides for input data preparation are provided in appendices.« less

Numerical modeling of subsurface radioactive solute transport from waste seepage ponds at the Idaho National Engineering Laboratory

USGS Publications Warehouse

Robertson, John B.

1976-01-01

Aqueous chemical and low-level radioactive effluents have been disposed to seepage ponds since 1952 at the Idaho National Engineering Laboratory. The solutions percolate toward the Snake River Plain aquifer (135 m below) through interlayered basalts and unconsolidated sediments and an extensive zone of ground water perched on a sedimentary layer about 40 m beneath the ponds. A three-segment numerical model was developed to simulate the system, including effects of convection, hydrodynamic dispersion, radioactive decay, and adsorption. Simulated hydraulics and solute migration patterns for all segments agree adequately with the available field data. The model can be used to project subsurface distributions of waste solutes under a variety of assumed conditions for the future. Although chloride and tritium reached the aquifer several years ago, the model analysis suggests that the more easily sorbed solutes, such as cesium-137 and strontium-90, would not reach the aquifer in detectable concentrations within 150 years for the conditions assumed. (Woodard-USGS)

Influence Of pH On The Transport Of Nanoscale Zinc Oxide In Saturated Porous Media

EPA Science Inventory

Widespread use of nanoscale zinc oxide (nZnO) in various fields causes subsurface environment contamination. Even though the transport of dissolved zinc ions in subsurface environments such as soils and sediments has been widely studied, the transport mechanism of nZnO in such e...

Accelerated Weathering of Waste Glass at 90°C with the Pressurized Unsaturated Flow (PUF) Apparatus: Implications for Predicting Glass Corrosion with a Reactive Transport Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pierce, Eric M.; Bacon, Diana H.

2009-09-21

The interest in the long-term durability of waste glass stems from the need to predict radionuclide release rates from the corroding glass over geologic time-scales. Several long-term test methods have been developed to accelerate the glass-water reaction [drip test, vapor hydration test, product consistency test-B, and pressurized unsaturated flow (PUF)]. Currently, the PUF test is the only method that can mimic the unsaturated hydraulic properties expected in a subsurface disposal facility and simultaneously monitor the glass-water reaction. PUF tests are being conducted to accelerate the weathering of glass and validate the model parameters being used to predict long-term glass behavior.more » One dimensional reactive chemical transport simulations of glass dissolution and secondary phase formation during a 1.5-year long PUF experiment was conducted with the subsurface transport over reactive multi-phases (STORM) code. Results show that parameterization of the computer model by combining direct laboratory measurements and thermodynamic data provides an integrated approach to predicting glass behavior over geologic-time scales.« less

An Isopycnal Box Model with predictive deep-ocean structure for biogeochemical cycling applications

NASA Astrophysics Data System (ADS)

Goodwin, Philip

2012-07-01

To simulate global ocean biogeochemical tracer budgets a model must accurately determine both the volume and surface origins of each water-mass. Water-mass volumes are dynamically linked to the ocean circulation in General Circulation Models, but at the cost of high computational load. In computationally efficient Box Models the water-mass volumes are simply prescribed and do not vary when the circulation transport rates or water mass densities are perturbed. A new computationally efficient Isopycnal Box Model is presented in which the sub-surface box volumes are internally calculated from the prescribed circulation using a diffusive conceptual model of the thermocline, in which upwelling of cold dense water is balanced by a downward diffusion of heat. The volumes of the sub-surface boxes are set so that the density stratification satisfies an assumed link between diapycnal diffusivity, κd, and buoyancy frequency, N: κd = c/(Nα), where c and α are user prescribed parameters. In contrast to conventional Box Models, the volumes of the sub-surface ocean boxes in the Isopycnal Box Model are dynamically linked to circulation, and automatically respond to circulation perturbations. This dynamical link allows an important facet of ocean biogeochemical cycling to be simulated in a highly computationally efficient model framework.

Viability of modelling gas transport in shallow injection-monitoring experiment field at Maguelone, France

NASA Astrophysics Data System (ADS)

Basirat, Farzad; Perroud, Hervé; Lofi, Johanna; Denchik, Nataliya; Lods, Gérard; Fagerlund, Fritjof; Sharma, Prabhakar; Pezard, Philippe; Niemi, Auli

2015-04-01

In this study, TOUGH2/EOS7CA model is used to simulate the shallow injection-monitoring experiment carried out at Maguelone, France, during 2012 and 2013. The possibility of CO2 leakage from storage reservoir to upper layers is one of the issues that need to be addressed in CCS projects. Developing reliable monitoring techniques to detect and characterize CO2 leakage is necessary for the safety of CO2 storage in reservoir formations. To test and cross-validate different monitoring techniques, a series of shallow gas injection-monitoring experiments (SIMEx) has been carried out at the Maguelone. The experimental site is documented in Lofi et al [2013]. At the site, a series of nitrogen and one CO2 injection experiment have been carried out during 2012-2013 and different monitoring techniques have been applied. The purpose of modelling is to acquire understanding of the system performance as well as to further develop and validate modelling approaches for gas transport in the shallow subsurface, against the well-controlled data sets. The preliminary simulation of the experiment including the simulation for the Nitrogen injection test in 2012 was presented in Basirat et al [2013]. In this work, the simulations represent the gaseous CO2 distribution and dissolved CO2 within range obtained by monitoring approaches. The Multiphase modelling in combination with geophysical monitoring can be used for process understanding of gas phase migration- and mass transfer processes resulting from gaseous CO2 injection. Basirat, F., A. Niemi, H. Perroud, J. Lofi, N. Denchik, G. Lods, P. Pezard, P. Sharma, and F. Fagerlund (2013), Modeling Gas Transport in the Shallow Subsurface in Maguelone Field Experiment, Energy Procedia, 40, 337-345. Lofi, J., P. Pezard, F. Bouchette, O. Raynal, P. Sabatier, N. Denchik, A. Levannier, L. Dezileau, and R. Certain (2013), Integrated Onshore-Offshore Investigation of a Mediterranean Layered Coastal Aquifer, Groundwater, 51(4), 550-561.

Tests of subsurface storage of freshwater at Hialeah, Dade County, Florida, and numerical simulation of the salinity of recovered water

USGS Publications Warehouse

Merritt, Michael L.

1997-01-01

This paper presents and interprets data from three cycles of injection, storage, and recovery of freshwater in a brackish aquifer through wells drilled at the Hialeah Water Treatment Plant in northeastern Dade County, Florida. Also described is an application of solute-transport modeling techniques to depict the hypothetical movement of the freshwater mass and to simulate the increasing salinity of the recovered water during the withdrawal phases. This paper also reports results of use of the calibrated model to predict recovery efficiencies in hypothetical future operational schedules of injection and recovery.

Applying model abstraction techniques to optimize monitoring networks for detecting subsurface contaminant transport

USDA-ARS?s Scientific Manuscript database

Improving strategies for monitoring subsurface contaminant transport includes performance comparison of competing models, developed independently or obtained via model abstraction. Model comparison and parameter discrimination involve specific performance indicators selected to better understand s...

Characterizing near-surface elemental layering on Mars using gamma-ray spectroscopy: A proof-of-principle experiment

NASA Astrophysics Data System (ADS)

Peplowski, Patrick N.; Wilson, Jack T.; Beck, Andrew W.; Burks, Morgan; Goldsten, John O.; Lawrence, David J.

2018-01-01

Gamma-ray spectroscopy investigations characterize the chemical composition of planetary surfaces by measuring element-characteristic gamma rays with energies of ∼100 keV to ∼9 MeV. Over this energy range, the mean free path of a gamma ray varies from about 1 to 25 cm, therefore gamma-ray measurements sample subsurface composition. Many elements emit gamma rays at multiple, often widely spaced energies, so gamma-ray measurements can in principle also be used to identify depth-dependent variations in subsurface composition. We report results from laboratory measurements and radiation transport modeling designed to demonstrate this capability. The laboratory measurements verified the presence of depth-dependent gamma-ray signatures, and were then used to benchmark radiation transport simulations that were used to model realistic Mars-like scenarios. The models indicate that compositionally distinct subsurface deposits, buried to depths of ∼80 cm (125 g/cm2), can be identified using gamma-ray measurements. Going beyond identification to characterization (burial depth, relative composition of the layers) of the deposits requires knowledge of the vertical and horizontal variability in the water content of the near-surface surface materials, the local Galactic Cosmic Ray environment (magnitude and energy distribution), the depth-dependent neutron flux, gamma-ray production cross sections, and knowledge of the composition and column density of the atmosphere. The results of our experiments and models provided a basis for examining the utility of using orbiter- and lander-based gamma-ray measurements to identify subsurface deposits on Mars.

3D numerical modeling of hyporheic exchange processes in fractal riverbed

NASA Astrophysics Data System (ADS)

Lee, A.; Aubeneau, A.

2017-12-01

The subsurface region receiving stream water is known as the hyporheic zone and the flow of water in and out of this zone is called hyporheic exchange. The hyporheic zone is populated by biofilms and is a hotspot for nutrient uptake and contaminant transformation. Traditionally, pumping models predicting the head distribution over the riverbed boundary are used to obtain the velocity field in the subsurface. However, past research has largely overlooked the nonlinearity of the turbulent flow above the bumpy riverbed. The main objective of this research is to investigate the effect of spatial and temporal heterogeneity created by turbulent flow on hyporheic exchange and residence time distribution in fractal channel beds. The 3-D fractal riverbed is created from the power spectrum. Large-Eddy Simulation is used to provide the pressure field over the benthic boundary. Finally, Darcian fluxes in the sub-surface are calculated and hyporheic travel times computed using random walks. Surface and subsurface transport processes are represented explicitly and can be studied in detail. Our results suggest that (1) Eddies and wakes around the dunes force the exchange (2) The bigger the dunes, the greater the influence of turbulence (3) Turbulence induces more exchange than pumping predicts.

Modeling of isotope fractionation at the catchment scale: How promising is compound specific isotope analysis (CSIA) as a tool for analyzing diffuse pollution by agrochemicals?

NASA Astrophysics Data System (ADS)

Lutz, S. R.; van Meerveld, H. J.; Waterloo, M. J.; Broers, H. P.; van Breukelen, B. M.

2012-04-01

Concentration measurements are indispensable for the assessment of subsurface and surface water pollution by agrochemicals such as pesticides. However, monitoring data is often ambiguous and easily misinterpreted as a decrease in concentration could be caused by transformation, dilution or changes in the application of the pesticide. In this context, compound specific isotope analysis (CSIA) has recently emerged as a complementary monitoring technique. It is based on the measurement of the isotopic composition (e.g. δ13C and δ2H) of the contaminant. Since transformation processes are likely accompanied by isotope fractionation, thus a change in this composition, CSIA offers the opportunity to gain additional knowledge about transport and degradation processes as well as to track pollutants back to their sources. Isotopic techniques have not yet been applied in a comprehensive way in the analysis of catchment-wide organic pollution. We therefore incorporated fractionation processes associated with the fate of pesticides into the numerical flow and solute transport model HydroGeoSphere in order to assess the feasibility of CSIA within the context of catchment monitoring. The model was set up for a hypothetical hillslope transect which drains into a river. Reactive solute transport was driven by two pesticides applications within one year and actual data for rainfall and potential evapotranspiration from a meteorological station in the Netherlands. Degradation of the pesticide was assumed to take place at a higher rate under the prevailing oxic conditions in the topsoil than in deeper, anoxic subsurface layers. In terms of CSIA, these two degradation pathways were associated with different strengths of isotope fractionation for both hydrogen and carbon atoms. By simulating changes in δ13C and δ2H, the share of the oxic and the anoxic reaction on the overall degradation could be assessed. Model results suggest that CSIA is suitable for assessing degradation of diffuse agrochemical pollutants in a relatively simple hydrological system. The simulated shifts in isotopic signals are within a range that could be detected with current isotope analytics. Concentrations in the stream vary significantly only for a short period during and after intense rainfall events. In contrast, CSIA values reveal longer response times such that isotopic shifts are likely to be detected in samples with a coarser temporal resolution. Rainfall events which result in fast lateral subsurface transport from the pollution source to the stream can be separated from those that lead to pollution migration through deeper subsurface zones with much longer travel times. Two-dimensional CSIA highlights an increasing importance of the oxic reaction in the topsoil during the wetter period of the year. In order to examine to which extent CSIA is applicable for more complex hydrological systems, it is projected to simulate isotope fractionation in a 3-dimensional catchment featuring additional processes such as migration from several pollution sources or in-stream degradation.

Solving iTOUGH2 simulation and optimization problems using the PEST protocol

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finsterle, S.A.; Zhang, Y.

2011-02-01

The PEST protocol has been implemented into the iTOUGH2 code, allowing the user to link any simulation program (with ASCII-based inputs and outputs) to iTOUGH2's sensitivity analysis, inverse modeling, and uncertainty quantification capabilities. These application models can be pre- or post-processors of the TOUGH2 non-isothermal multiphase flow and transport simulator, or programs that are unrelated to the TOUGH suite of codes. PEST-style template and instruction files are used, respectively, to pass input parameters updated by the iTOUGH2 optimization routines to the model, and to retrieve the model-calculated values that correspond to observable variables. We summarize the iTOUGH2 capabilities and demonstratemore » the flexibility added by the PEST protocol for the solution of a variety of simulation-optimization problems. In particular, the combination of loosely coupled and tightly integrated simulation and optimization routines provides both the flexibility and control needed to solve challenging inversion problems for the analysis of multiphase subsurface flow and transport systems.« less

PREDICTING SUBSURFACE CONTAMINANT TRANSPORT AND TRANSFORMATION: CONSIDERATIONS FOR MODEL SELECTION AND FIELD VALIDATION

EPA Science Inventory

Predicting subsurface contaminant transport and transformation requires mathematical models based on a variety of physical, chemical, and biological processes. The mathematical model is an attempt to quantitatively describe observed processes in order to permit systematic forecas...

Influence of root-water-uptake parameterization on simulated heat transport in a structured forest soil

NASA Astrophysics Data System (ADS)

Votrubova, Jana; Vogel, Tomas; Dohnal, Michal; Dusek, Jaromir

2015-04-01

Coupled simulations of soil water flow and associated transport of substances have become a useful and increasingly popular tool of subsurface hydrology. Quality of such simulations is directly affected by correctness of its hydraulic part. When near-surface processes under vegetation cover are of interest, appropriate representation of the root water uptake becomes essential. Simulation study of coupled water and heat transport in soil profile under natural conditions was conducted. One-dimensional dual-continuum model (S1D code) with semi-separate flow domains representing the soil matrix and the network of preferential pathways was used. A simple root water uptake model based on water-potential-gradient (WPG) formulation was applied. As demonstrated before [1], the WPG formulation - capable of simulating both the compensatory root water uptake (in situations when reduced uptake from dry layers is compensated by increased uptake from wetter layers), and the root-mediated hydraulic redistribution of soil water - enables simulation of more natural soil moisture distribution throughout the root zone. The potential effect on heat transport in a soil profile is the subject of the present study. [1] Vogel T., M. Dohnal, J. Dusek, J. Votrubova, and M. Tesar. 2013. Macroscopic modeling of plant water uptake in a forest stand involving root-mediated soil-water redistribution. Vadose Zone Journal, 12, 10.2136/vzj2012.0154. The research was supported by the Czech Science Foundation Project No. 14-15201J.

Numerical Model of Hydraulic Fracturing Fluid Transport in the Subsurface with Pressure Transient, Density Effects, and Imbibition

NASA Astrophysics Data System (ADS)

Birdsell, D.; Rajaram, H.; Dempsey, D.; Viswanathan, H.

2014-12-01

Understanding the transport of hydraulic fracturing (HF) fluid that is injected into the deep subsurface for shale gas extraction is important to ensure that shallow drinking water aquifers are not contaminated from an environmental and public health perspective and to understand formation damage from an oil and gas production perspective. Upward pressure gradients, permeable pathways such as faults or improperly abandoned wellbores, and the density contrast of the HF fluid to the surrounding brine encourages upward HF fluid migration. In contrast, the very low shale permeability and the imbibition of water into partially-saturated shale may sequester much of the HF fluid. Using the Finite Element Heat and Mass Transfer Code (FEHM), single-phase flow and transport simulations are performed to quantify how much HF fluid is removed via the wellbore as flowback and produced water and how much reaches overlying aquifers; imbibition is calculated with a semi-analytical one-dimensional solution and treated as a sink term. The travel time for HF fluid to reach the shallow aquifers is highly dependent on the amount of water imbibed and the suction applied to the well. If imbibition rates and suction are small, the pressure transient due to injection and the density contrast allows rapid upward plume migration at early times. The density contrast diminishes considerably within tens to hundreds of years as mixing occurs. We present estimates of HF fluid migration to shallow aquifers during the first 1,000 years after hydraulic fracturing begins for ranges of subsurface properties.

A reactive transport model for Marcellus shale weathering

NASA Astrophysics Data System (ADS)

Heidari, Peyman; Li, Li; Jin, Lixin; Williams, Jennifer Z.; Brantley, Susan L.

2017-11-01

Shale formations account for 25% of the land surface globally and contribute a large proportion of the natural gas used in the United States. One of the most productive shale-gas formations is the Marcellus, a black shale that is rich in organic matter and pyrite. As a first step toward understanding how Marcellus shale interacts with water in the surface or deep subsurface, we developed a reactive transport model to simulate shale weathering under ambient temperature and pressure conditions, constrained by soil and water chemistry data. The simulation was carried out for 10,000 years since deglaciation, assuming bedrock weathering and soil genesis began after the last glacial maximum. Results indicate weathering was initiated by pyrite dissolution for the first 1000 years, leading to low pH and enhanced dissolution of chlorite and precipitation of iron hydroxides. After pyrite depletion, chlorite dissolved slowly, primarily facilitated by the presence of CO2 and organic acids, forming vermiculite as a secondary mineral. A sensitivity analysis indicated that the most important controls on weathering include the presence of reactive gases (CO2 and O2), specific surface area, and flow velocity of infiltrating meteoric water. The soil chemistry and mineralogy data could not be reproduced without including the reactive gases. For example, pyrite remained in the soil even after 10,000 years if O2 was not continuously present in the soil column; likewise, chlorite remained abundant and porosity remained small if CO2 was not present in the soil gas. The field observations were only simulated successfully when the modeled specific surface areas of the reactive minerals were 1-3 orders of magnitude smaller than surface area values measured for powdered minerals. Small surface areas could be consistent with the lack of accessibility of some fluids to mineral surfaces due to surface coatings. In addition, some mineral surface is likely interacting only with equilibrated pore fluids. An increase in the water infiltration rate enhanced weathering by removing dissolution products and maintaining far-from-equilibrium conditions. We conclude from these observations that availability of reactive surface area and transport of H2O and gases are the most important factors affecting rates of Marcellus shale weathering of the in the shallow subsurface. This weathering study documents the utility of reactive transport modeling for complex subsurface processes. Such modelling could be extended to understand interactions between injected fluids and Marcellus shale gas reservoirs at higher temperature, pressure, and salinity conditions.

Experimental determination of methane dissolution from simulated subsurface oil leakages

NASA Astrophysics Data System (ADS)

Sauthoff, W.; Peltzer, E. T.; Walz, P. M.; Brewer, P. G.

2013-12-01

Subsurface oil leakages and increased offshore drilling efforts have raised concern over the fate of hydrocarbon mixtures of oil and gas in ocean environments. Recent wellhead and pipeline failures in the Gulf of Mexico are extreme examples of this problem. Understanding the mechanism and rate of vertical transport of hydrocarbon chemical species is necessary to predict the environmental impact of subsurface leakages. In a series of controlled experiments, we carried out a deep-sea field experiment in Monterey Canyon to investigate the behavior of a gas-saturated liquid hydrocarbon mass rising from the seafloor. Aboard the R/V Rachel Carson, we used the ROV Ventana to transport a laboratory prepared volume of decane (C10H22) saturated with methane gas (CH4) to mimic a subsurface seafloor discharge. We released the oil and gas mixture into a vertically oriented open bottom glass tube followed by methane loss rate measurements both at discrete depths, and during rapid, continuous vehicle ascent from 800 to 100 m water depth to monitor changes in dissolution and bubble nucleation. Using laser Raman techniques and HD video we quantified the chemical state of the hydrocarbon fluid, including rate of methane gas dissolution. The primary methane Raman peak was readily observable within the decane C-H stretching complex. Variation in the amount of gas dissolved in the oil greatly influences oil plume density and in turn oil plume vertical rise rate. Our results show that the rise rate of the hydrocarbon mass significantly exceeds the rate at which the excess methane was lost by dissolution. This result implies that vertical transport of methane in the saturated hydrocarbon liquid phase can greatly exceed a gas bubble plume ascending the water column from a seafloor source. These results and observations may be applicable to improved understanding of the composition, distribution, and environmental fate of leaked hydrocarbon mixtures and inform remediation efforts.

The origin of anomalous transport in porous media - is it possible to make a priori predictions?

NASA Astrophysics Data System (ADS)

Bijeljic, Branko; Blunt, Martin

2013-04-01

Despite the range of significant applications of flow and solute transport in porous rock, including contaminant migration in subsurface hydrology, geological storage of carbon-dioxide and tracer studies and miscible displacement in oil recovery, even the qualitative behavior in the subsurface is uncertain. The non-Fickian nature of dispersive processes in heterogeneous porous media has been demonstrated experimentally from pore to field scales. However, the exact relationship between structure, velocity field and transport has not been fully understood. Advances in X ray imaging techniques made it possible to accurately describe structure of the pore space, helping predict flow and anomalous transport behaviour using direct simulation. This is demonstrated by simulating solute transport through 3D images of rock samples, with resolutions of a few microns, representing geological media of increasing pore-scale complexity: a sandpack, a sandstone, and a carbonate. A novel methodology is developed that predicts solute transport at the pore scale by using probability density functions of displacement (propagators) and probability density function of transit time between the image voxels, and relates it to probability density function of normalized local velocity. A key advantage is that full information on velocity and solute concentration is retained in the models. The methodology includes solving for Stokes flow by Open Foam, solving for advective transport by the novel streamline simulation method, and superimposing diffusive transport diffusion by the random walk method. It is shown how computed propagators for beadpack, sandstone and carbonate depend on the spread in the velocity distribution. A narrow velocity distribution in the beadpack leads to the least anomalous behaviour where the propagators rapidly become Gaussian; the wider velocity distribution in the sandstone gives rise to a small immobile concentration peak, and a large secondary mobile peak moving at approximately the average flow speed; in the carbonate with the widest velocity distribution the stagnant concentration peak is persistent, while the emergence of a smaller secondary mobile peak is observed, leading to a highly anomalous behavior. This defines different generic nature of non-Fickian transport in the three media and quantifies the effect of pore structure on transport. Moreover, the propagators obtained by the model are in a very good agreement with the propagators measured on beadpack, Bentheimer sandstone and Portland carbonate cores in nuclear magnetic resonance experiments. These findings demonstrate that it is possible to make a priori predictions of anomalous transport in porous media. The importance of these findings for transport in complex carbonate rock micro-CT images is discussed, classifying them in terms of degree of anomalous transport that can have an impact at the field scale. Extensions to reactive transport will be discussed.

VIRUS TRANSPORT IN PHYSICALLY AND GEOCHEMICALLY HETEROGENEOUS SUBSURFACE POROUS MEDIA. (R826179)

EPA Science Inventory

A two-dimensional model for virus transport in physically and geochemically heterogeneous subsurface porous media is presented. The model involves solution of the advection–dispersion equation, which additionally considers virus inactivation in the solution, as well as ...

Effects of Surface and Subsurface Bed Material Composition on Gravel Transport and Flow Competence Relations—Possibilities for Prediction

NASA Astrophysics Data System (ADS)

Bunte, K.; Abt, S. R.; Swingle, K. W.; Cenderelli, D. A.; Gaeuman, D. A.

2014-12-01

Bedload transport and flow competence relations are difficult to predict in coarse-bedded steep streams where widely differing sediment supply, bed stability, and complex flow hydraulics greatly affect amounts and sizes of transported gravel particles. This study explains how properties of bed material surface and subsurface size distributions are directly related to gravel transport and may be used for prediction of gravel transport and flow competence relations. Gravel transport, flow competence, and bed material size were measured in step-pool and plane-bed streams. Power functions were fitted to gravel transport QB=aQb and flow competence Dmax=cQd relations; Q is water discharge. Frequency distributions of surface FDsurf and subsurface FDsub bed material were likewise described by power functions FDsurf=hD j and FDsub=kDm fitted over six 0.5-phi size classes within 4 to 22.4 mm. Those gravel sizes are typically mobile even in moderate floods. Study results show that steeper subsurface bed material size distributions lead to steeper gravel transport and flow competence relations, whereas larger amounts of sediment contained in those 6 size bedmaterial classes (larger h and k) flatten the relations. Similarly, steeper surface size distributions decrease the coefficients of the gravel transport and flow competence relations, whereas larger amounts of sediment within the six bed material classes increase the intercepts of gravel transport and flow competence relations. Those relations are likely causative in streams where bedload stems almost entirely from the channel bed as opposed to direct (unworked) contributions from hillslopes and tributaries. The exponent of the subsurface bed material distribution m predicted the gravel transport exponent b with r2 near 0.7 and flow competence exponent d with r2 near 0.5. The intercept of bed surface distributions h increased the intercept a of gravel transport and c of the flow competence relations with r2 near 0.6.

Surface-Atmosphere Connections on Titan: A New Window into Terrestrial Hydroclimate

NASA Astrophysics Data System (ADS)

Faulk, Sean

This dissertation investigates the coupling between the large-scale atmospheric circulation and surface processes on Titan, with a particular focus on methane precipitation and its influence on surface geomorphology and hydrology. As the only body in the Solar System with an active hydrologic cycle other than Earth, Titan presents a valuable laboratory for studying principles of hydroclimate on terrestrial planets. Idealized general circulation models (GCMs) are used here to test hypotheses regarding Titan's surface-atmosphere connections. First, an Earth-like GCM simulated over a range of rotation rates is used to evaluate the effect of rotation rate on seasonal monsoon behavior. Slower rotation rates result in poleward migration of summer rain, indicating a large-scale atmospheric control on Titan's observed dichotomy of dry low latitudes and moist high latitudes. Second, a Titan GCM benchmarked against observations is used to analyze the magnitudes and frequencies of extreme methane rainstorms as simulated by the model. Regional patterns in these extreme events correlate well with observed geomorphic features, with the most extreme rainstorms occurring in mid-latitude regions associated with high alluvial fan concentrations. Finally, a planetary surface hydrology scheme is developed and incorporated into a Titan GCM to evaluate the roles of surface flow, subsurface flow, infiltration, and groundmethane evaporation in Titan's climate. The model reproduces Titan's observed surface liquid and cloud distributions, and reaches an equilibrium state with limited interhemispheric transport where atmospheric transport is approximately balanced by subsurface transport. The equilibrium state suggests that Titan's current hemispheric surface liquid asymmetry, favoring methane accumulation in the north, is stable in the modern climate.

3DFATMIC: THREE DIMENSIONAL SUBSURFACE FLOW, FATE AND TRANSPORT OF MICROBES AND CHEMICALS MODEL - USER'S MANUAL VERSION 1.0

EPA Science Inventory

This document is the user's manual of 3DFATMIC, a 3-Dimensional Subsurface Flow, Fate and Transport of Microbes and Chemicals Model using a Lagrangian-Eulerian adapted zooming and peak capturing (LEZOOMPC) algorithm.

RESEARCH ACTIVITIES AT U.S. GOVERNMENT AGENCIES IN SUBSURFACE REACTIVE TRANSPORT MODELING

EPA Science Inventory

The fate of contaminants in the environment is controlled by both chemical reactions and transport phenomena in the subsurface. Our ability to understand the significance of these processes over time requires an accurate conceptual model that incorporates the various mechanisms ...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoon, Hongkyu; Major, Jonathan; Dewers, Thomas

Dissolved CO 2 in the subsurface resulting from geological CO 2 storage may react with minerals in fractured rocks, confined aquifers, or faults, resulting in mineral precipitation and dissolution. The overall rate of reaction can be affected by coupled processes including hydrodynamics, transport, and reactions at the (sub) pore-scale. In this work pore-scale modeling of coupled fluid flow, reactive transport, and heterogeneous reactions at the mineral surface is applied to account for permeability alterations caused by precipitation-induced pore-blocking. This paper is motivated by observations of CO 2 seeps from a natural CO 2 sequestration analog, Crystal Geyser, Utah. Observations alongmore » the surface exposure of the Little Grand Wash fault indicate the lateral migration of CO 2 seep sites (i.e., alteration zones) of 10–50 m width with spacing on the order of ~100 m over time. Sandstone permeability in alteration zones is reduced by 3–4 orders of magnitude by carbonate cementation compared to unaltered zones. One granular porous medium and one fracture network systems are used to conceptually represent permeable porous media and locations of conduits controlled by fault-segment intersections and/or topography, respectively. Simulation cases accounted for a range of reaction regimes characterized by the Damköhler (Da) and Peclet (Pe) numbers. Pore-scale simulation results demonstrate that combinations of transport (Pe), geochemical conditions (Da), solution chemistry, and pore and fracture configurations contributed to match key patterns observed in the field of how calcite precipitation alters flow paths by pore plugging. This comparison of simulation results with field observations reveals mechanistic explanations of the lateral migration and enhances our understanding of subsurface processes associated with the CO 2 injection. In addition, permeability and porosity relations are constructed from pore-scale simulations which account for a range of reaction regimes characterized by the Da and Pe numbers. Finally, the functional relationships obtained from pore-scale simulations can be used in a continuum scale model that may account for large-scale phenomena mimicking lateral migration of surface CO 2 seeps.« less

New collector efficiency equation for colloid filtration in both natural and engineered flow conditions

NASA Astrophysics Data System (ADS)

Nelson, Kirk E.; Ginn, Timothy R.

2011-05-01

A new equation for the collector efficiency (η) of the colloid filtration theory (CFT) is developed via nonlinear regression on the numerical data generated by a large number of Lagrangian simulations conducted in Happel's sphere-in-cell porous media model over a wide range of environmentally relevant conditions. The new equation expands the range of CFT's applicability in the natural subsurface primarily by accommodating departures from power law dependence of η on the Peclet and gravity numbers, a necessary but as of yet unavailable feature for applying CFT to large-scale field transport (e.g., of nanoparticles, radionuclides, or genetically modified organisms) under low groundwater velocity conditions. The new equation also departs from prior equations for colloids in the nanoparticle size range at all fluid velocities. These departures are particularly relevant to subsurface colloid and colloid-facilitated transport where low permeabilities and/or hydraulic gradients lead to low groundwater velocities and/or to nanoparticle fate and transport in porous media in general. We also note the importance of consistency in the conceptualization of particle flux through the single collector model on which most η equations are based for the purpose of attaining a mechanistic understanding of the transport and attachment steps of deposition. A lack of sufficient data for small particles and low velocities warrants further experiments to draw more definitive and comprehensive conclusions regarding the most significant discrepancies between the available equations.

Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery

NASA Astrophysics Data System (ADS)

Surasani, V.; Li, L.

2011-12-01

Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.

Escherichia coli Transport from Surface-Applied Manure to Subsurface Drains through Artificial Biopores

USDA-ARS?s Scientific Manuscript database

Transport of pathogenic bacteria in soils primarily occurs through soil mesopores and macropores (e.g., biopores and cracks). Field research has demonstrated that biopores and subsurface drains can be hydraulically connected. This research was conducted to investigate the importance of surface conne...

Hierarchical Testing with Automated Document Generation for Amanzi, ASCEM's Subsurface Flow and Reactive Transport Simulator

NASA Astrophysics Data System (ADS)

Moulton, J. D.; Steefel, C. I.; Yabusaki, S.; Castleton, K.; Scheibe, T. D.; Keating, E. H.; Freedman, V. L.

2013-12-01

The Advanced Simulation Capabililty for Environmental Management (ASCEM) program is developing an approach and open-source tool suite for standardized risk and performance assessments at legacy nuclear waste sites. These assessments use a graded and iterative approach, beginning with simplified highly abstracted models, and adding geometric and geologic complexity as understanding is gained. To build confidence in this assessment capability, extensive testing of the underlying tools is needed. Since the tools themselves, such as the subsurface flow and reactive-transport simulator, Amanzi, are under active development, testing must be both hierarchical and highly automated. In this presentation we show how we have met these requirements, by leveraging the python-based open-source documentation system called Sphinx with several other open-source tools. Sphinx builds on the reStructured text tool docutils, with important extensions that include high-quality formatting of equations, and integrated plotting through matplotlib. This allows the documentation, as well as the input files for tests, benchmark and tutorial problems, to be maintained with the source code under a version control system. In addition, it enables developers to build documentation in several different formats (e.g., html and pdf) from a single source. We will highlight these features, and discuss important benefits of this approach for Amanzi. In addition, we'll show that some of ASCEM's other tools, such as the sampling provided by the Uncertainty Quantification toolset, are naturally leveraged to enable more comprehensive testing. Finally, we will highlight the integration of this hiearchical testing and documentation framework with our build system and tools (CMake, CTest, and CDash).

Experimental quantification of solute transport through the vadose zone under dynamic boundary conditions with dye tracers and optical methods.

NASA Astrophysics Data System (ADS)

Cremer, Clemens; Neuweiler, Insa

2017-04-01

Knowledge of subsurface solute transport processes is vital to investigate e.g. groundwater contamination, nutrient uptake by plant roots and to implement remediation strategies. Beside field measurements and numerical simulations, physical laboratory experiments represent a way to establish process understanding and furthermore validate numerical schemes. Atmospheric forcings, such as erratically varying infiltration and evaporation cycles, subject the shallow subsurface to local and temporal variations in water content and associated hydraulic conductivity of the prevailing porous media. Those variations in material properties can cause flow paths to differ between upward and downward flow periods. Thereby, the unsaturated subsurface presents a highly complicated, dynamic system. Following an extensive systematical numerical investigation of flow and transport through bimodal, unsaturated porous media under dynamic boundary conditions (Cremer et al., 2016), we conduct physical laboratory experiments in a 22 cm x 8 cm x 1 cm flow cell where we introduce structural heterogeneity in the form sharp material interfaces between different porous media. In all experiments, a constant pressure head is implemented at the lower boundary, while cyclic infiltration-evaporation phases are applied at the soil surface. As a reference case a stationary infiltration with a rate corresponding to the cycle-averaged infiltration rate is applied. By initial application of dye tracers, solute transport within the domain is visualized such that transport paths and redistribution processes can be observed in a qualitative manner. Solute leaching is quantified at the bottom outlet, where breakthrough curves are obtained via spectroscopy. Liquid and vapor flow in and out of the domain is obtained from multiple balances. Thereby, the interplay of material structural heterogeneity and alternating flow (transport) directions and flow (transport) paths is investigated. Results show lateral transport through the material interface which differs between the stationary (unilateral) and dynamic cases (bilateral). This qualitative observation is confirmed by breakthrough curves for dynamic experiments which generally show the trend of faster initial breakthrough and increased tailing when compared to stationary infiltration results. Literature Cremer, C.J.M., I. Neuweiler, M. Bechtold, J. Vanderborght (2016): Solute Transport in Heterogeneous Soil with Time-Dependent Boundary Conditions, Vadose Zone Journal 15 (6) DOI: 10.2136/vzj2015.11.0144

Method of imaging the electrical conductivity distribution of a subsurface

DOEpatents

Johnson, Timothy C.

2017-09-26

A method of imaging electrical conductivity distribution of a subsurface containing metallic structures with known locations and dimensions is disclosed. Current is injected into the subsurface to measure electrical potentials using multiple sets of electrodes, thus generating electrical resistivity tomography measurements. A numeric code is applied to simulate the measured potentials in the presence of the metallic structures. An inversion code is applied that utilizes the electrical resistivity tomography measurements and the simulated measured potentials to image the subsurface electrical conductivity distribution and remove effects of the subsurface metallic structures with known locations and dimensions.

Evaluating Potential Exposures to Ecological Receptors Due to Transport of Hydrophobic Organic Contaminants in Subsurface Systems (Final Report)

EPA Science Inventory

EPA's Ecological Risk Assessment Support Center (ERASC) announced the release of the final report, Evaluating Potential Exposures to Ecological Receptors Due to Transport of Hydrophobic Organic Contaminants in Subsurface Systems. This technical paper recommends several ty...

Microbial transport and fate in the subsurface: An introduction to the special collection

USDA-ARS?s Scientific Manuscript database

Microorganisms constitute the almost exclusive form of life in the earth’s subsurface (not including caves), particularly at depths exceeding the soil horizon. While of broad interest to ecology and geology, scientific interest in the fate and transport of microorganisms, particularly those introduc...

Relative contributions of microbial and infrastructure heat at a crude oil-contaminated site

NASA Astrophysics Data System (ADS)

Warren, Ean; Bekins, Barbara A.

2018-04-01

Biodegradation of contaminants can increase the temperature in the subsurface due to heat generated from exothermic reactions, making temperature observations a potentially low-cost approach for determining microbial activity. For this technique to gain more widespread acceptance, it is necessary to better understand all the factors affecting the measured temperatures. Biodegradation has been occurring at a crude oil-contaminated site near Bemidji, Minnesota for 39 years, creating a quasi-steady-state plume of contaminants and degradation products. A model of subsurface heat generation and transport helps elucidate the contribution of microbial and infrastructure heating to observed temperature increases at this site. We created a steady-state, two-dimensional, heat transport model using previous-published parameter values for physical, chemical and biodegradation properties. Simulated temperature distributions closely match the observed average annual temperatures measured in the contaminated area at the site within less than 0.2 °C in the unsaturated zone and 0.4 °C in the saturated zone. The model results confirm that the observed subsurface heat from microbial activity is due primarily to methane oxidation in the unsaturated zone resulting in a 3.6 °C increase in average annual temperature. Another important source of subsurface heat is from the active, crude-oil pipelines crossing the site. The pipelines impact temperatures for a distance of 200 m and contribute half the heat. Model results show that not accounting for the heat from the pipelines leads to overestimating the degradation rates by a factor of 1.7, demonstrating the importance of identifying and quantifying all heat sources. The model results also highlighted a zone where previously unknown microbial activity is occurring at the site.

Relative contributions of microbial and infrastructure heat at a crude oil-contaminated site.

PubMed

Warren, Ean; Bekins, Barbara A

2018-04-01

Biodegradation of contaminants can increase the temperature in the subsurface due to heat generated from exothermic reactions, making temperature observations a potentially low-cost approach for determining microbial activity. For this technique to gain more widespread acceptance, it is necessary to better understand all the factors affecting the measured temperatures. Biodegradation has been occurring at a crude oil-contaminated site near Bemidji, Minnesota for 39 years, creating a quasi-steady-state plume of contaminants and degradation products. A model of subsurface heat generation and transport helps elucidate the contribution of microbial and infrastructure heating to observed temperature increases at this site. We created a steady-state, two-dimensional, heat transport model using previous-published parameter values for physical, chemical and biodegradation properties. Simulated temperature distributions closely match the observed average annual temperatures measured in the contaminated area at the site within less than 0.2 °C in the unsaturated zone and 0.4 °C in the saturated zone. The model results confirm that the observed subsurface heat from microbial activity is due primarily to methane oxidation in the unsaturated zone resulting in a 3.6 °C increase in average annual temperature. Another important source of subsurface heat is from the active, crude-oil pipelines crossing the site. The pipelines impact temperatures for a distance of 200 m and contribute half the heat. Model results show that not accounting for the heat from the pipelines leads to overestimating the degradation rates by a factor of 1.7, demonstrating the importance of identifying and quantifying all heat sources. The model results also highlighted a zone where previously unknown microbial activity is occurring at the site. Published by Elsevier B.V.

Numerical analysis of the in-well vapor-stripping system demonstration at Edwards Air Force Base

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, M.D.; Gilmore, T.J.

1996-10-01

Numerical simulations, with the Subsurface Transport Over Multiple Phases (STOMP) simulator, were applied to the field demonstration of an in-well vapor-stripping system at Edwards Air Force Base (AFB), near Mojave, California. The demonstration field site on the Edwards AFB was previously contaminated from traversing groundwater that was contained a varied composition of volatile organic compounds (VOCs), which primarily includes trichloroethylene (TCE). Contaminant TCE originated from surface basin that had been used to collect runoff during the cleaning of experimental rocket powered planes in the 1960s and 1970s. This report documents those simulations and associated numerical analyses. A companion report documentsmore » the in- well vapor-stripping demonstration from a field perspective.« less

Bacterial interactions and transport in geological formation of alumino-silica clays.

PubMed

Vu, Kien; Yang, Guang; Wang, Boya; Tawfiq, Kamal; Chen, Gang

2015-01-01

Bacterial transport in the subsurface is controlled by their interactions with the surrounding environment, which are determined by the surface properties of the geological formation and bacterial surfaces. In this research, surface thermodynamic properties of Escherichia coli and the geological formation of alumino-silica clays were characterized based on contact angle measurements, which were utilized to quantify the distance-dependent interactions between E. coli and the geological formation according to the traditional and extended Derjaguin, Landau, Verwey and Overbeek (DLVO) theory. E. coli attachment to alumino-silica clays was evaluated in laboratory columns under saturated and steady-state flow conditions. E. coli deposition coefficient and desorption coefficient were simulated using convection-dispersion transport models against E. coli breakthrough curves, which were then linked to interactions between E. coli and the geological formation. It was discovered that E. coli deposition was controlled by the long-ranged electrostatic interaction and E. coli desorption was attributed to the short-ranged Lifshitz-van der Waals and Lewis acid-base interactions. E. coli transport in three layers of different alumino-silica clays was further examined and the breakthrough curve was simulated using E. coli deposition coefficient and desorption coefficient obtained from their individual column experiments. The well-fitted simulation confirmed that E. coli transport observations were interaction-dependent phenomena between E. coli and the geological formation. Published by Elsevier B.V.

Structure and function of subsurface microbial communities affecting radionuclide transport and bioimmobilization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kostka, Joel E.; Prakash, Om; Green, Stefan J.

2012-05-01

Our objectives were to: 1) isolate and characterize novel anaerobic prokaryotes from subsurface environments exposed to high levels of mixed contaminants (U(VI), nitrate, sulfate), 2) elucidate the diversity and distribution of metabolically active metal- and nitrate-reducing prokaryotes in subsurface sediments, and 3) determine the biotic and abiotic mechanisms linking electron transport processes (nitrate, Fe(III), and sulfate reduction) to radionuclide reduction and immobilization. Mechanisms of electron transport and U(VI) transformation were examined under near in situ conditions in sediment microcosms and in field investigations. Field sampling was conducted at the Oak Ridge Field Research Center (ORFRC), in Oak Ridge, Tennessee. Themore » ORFRC subsurface is exposed to mixed contamination predominated by uranium and nitrate. In short, we effectively addressed all 3 stated objectives of the project. In particular, we isolated and characterized a large number of novel anaerobes with a high bioremediation potential that can be used as model organisms, and we are now able to quantify the function of subsurface sedimentary microbial communities in situ using state-of-the-art gene expression methods (molecular proxies).« less

Modeling Coupled Movement of Water, Vapor, and Energy in Soils and at the Soil-Atmosphere Interface Using HYDRUS

NASA Astrophysics Data System (ADS)

Simunek, Jiri; Brunetti, Giuseppe; Saito, Hirotaka; Bristow, Keith

2017-04-01

Mass and energy fluxes in the subsurface are closely coupled and cannot be evaluated without considering their mutual interactions. However, only a few numerical models consider coupled water, vapor and energy transport in both the subsurface and at the soil-atmosphere interface. While hydrological and thermal processes in the subsurface are commonly implemented in existing models, which often consider both isothermally and thermally induced water and vapor flow, the interactions at the soil-atmosphere interface are often simplified, and the effects of slope inclination, slope azimuth, variable surface albedo and plant shading on incoming radiation and spatially variable surface mass and energy balance, and consequently on soil moisture and temperature distributions, are rarely considered. In this presentation we discuss these missing elements and our attempts to implement them into the HYDRUS model. We demonstrate implications of some of these interactions and their impact on the spatial distributions of soil temperature and water content, and their effect on soil evaporation. Additionally, we will demonstrate the use of the HYDRUS model to simulate processes relevant to the ground source heat pump systems.

Hydrology and numerical simulation of groundwater movement and heat transport in Snake Valley and surrounding areas, Juab, Miller, and Beaver Counties, Utah, and White Pine and Lincoln Counties, Nevada

USGS Publications Warehouse

Masbruch, Melissa D.; Gardner, Philip M.; Brooks, Lynette E.

2014-01-01

Snake Valley and surrounding areas, along the Utah-Nevada state border, are part of the Great Basin carbonate and alluvial aquifer system. The groundwater system in the study area consists of water in unconsolidated deposits in basins and water in consolidated rock underlying the basins and in the adjacent mountain blocks. Most recharge occurs from precipitation on the mountain blocks and most discharge occurs from the lower altitude basin-fill deposits mainly as evapotranspiration, springflow, and well withdrawals.The Snake Valley area regional groundwater system was simulated using a three-dimensional model incorporating both groundwater flow and heat transport. The model was constructed with MODFLOW-2000, a version of the U.S. Geological Survey’s groundwater flow model, and MT3DMS, a transport model that simulates advection, dispersion, and chemical reactions of solutes or heat in groundwater systems. Observations of groundwater discharge by evapotranspiration, springflow, mountain stream base flow, and well withdrawals; groundwater-level altitudes; and groundwater temperatures were used to calibrate the model. Parameter values estimated by regression analyses were reasonable and within the range of expected values.This study represents one of the first regional modeling efforts to include calibration to groundwater temperature data. The inclusion of temperature observations reduced parameter uncertainty, in some cases quite significantly, over using just water-level altitude and discharge observations. Of the 39 parameters used to simulate horizontal hydraulic conductivity, uncertainty on 11 of these parameters was reduced to one order of magnitude or less. Other significant reductions in parameter uncertainty occurred in parameters representing the vertical anisotropy ratio, drain and river conductance, recharge rates, and well withdrawal rates.The model provides a good representation of the groundwater system. Simulated water-level altitudes range over almost 2,000 meters (m); 98 percent of the simulated values of water-level altitudes in wells are within 30 m of observed water-level altitudes, and 58 percent of them are within 12 m. Nineteen of 20 simulated discharges are within 30 percent of observed discharge. Eighty-one percent of the simulated values of groundwater temperatures in wells are within 2 degrees Celsius (°C) of the observed values, and 55 percent of them are within 0.75 °C. The numerical model represents a more robust quantification of groundwater budget components than previous studies because the model integrates all components of the groundwater budget. The model also incorporates new data including (1) a detailed hydrogeologic framework, and (2) more observations, including several new water-level altitudes throughout the study area, several new measurements of spring discharge within Snake Valley which had not previously been monitored, and groundwater temperature data. Uncertainty in the estimates of subsurface flow are less than those of previous studies because the model balanced recharge and discharge across the entire simulated area, not just in each hydrographic area, and because of the large dataset of observations (water-level altitudes, discharge, and temperatures) used to calibrate the model and the resulting transmissivity distribution.Groundwater recharge from precipitation and unconsumed irrigation in Snake Valley is 160,000 acre-feet per year (acre-ft/yr), which is within the range of previous estimates. Subsurface inflow from southern Spring Valley to southern Snake Valley is 13,000 acre-ft/yr and is within the range of previous estimates; subsurface inflow from Spring Valley to Snake Valley north of the Snake Range, however, is only 2,200 acre-ft/yr, which is much less than has been previously estimated. Groundwater discharge from groundwater evapotranspiration and springs is 100,000 acre-ft/yr, and discharge to mountain streams is 3,300 acre-ft/yr; these are within the range of previous estimates. Current well withdrawals are 28,000 acre-ft/yr. Subsurface outflow from Snake Valley moves into Pine Valley (2,000 acre-ft/yr), Wah Wah Valley (23 acre-ft/yr), Tule Valley (33,000 acre-ft/yr), Fish Springs Flat (790 acre-ft/yr), and outside of the study area towards Great Salt Lake Desert (8,400 acre-ft/yr); these outflows, totaling about 44,000 acre-ft/yr, are within the range of previous estimates.The subsurface flow amounts indicate the degree of connectivity between hydrographic areas within the study area. The simulated transmissivity and locations of natural discharge, however, provide a better estimate of the effect of groundwater withdrawals on groundwater resources than does the amount and direction of subsurface flow between hydrographic areas. The distribution of simulated transmissivity throughout the study area includes many areas of high transmissivity within and between hydrographic areas. Increased well withdrawals within these high transmissivity areas will likely affect a large part of the study area, resulting in declining groundwater levels, as well as leading to a decrease in natural discharge to springs and evapotranspiration.

Using molecular-scale tracers to investigate transport of agricultural pollutants in soil and water

NASA Astrophysics Data System (ADS)

Lloyd, C.; Michaelides, K.; Chadwick, D.; Dungait, J.; Evershed, R. P.

2012-12-01

We explore the use of molecular-scale tracers to investigate the transport of potential pollutants due to the application of slurry to soil. The molecular-scale approach allows us to separate the pollutants which are moved to water bodies through sediment-bound and dissolved transport pathways. Slurry is applied to agricultural land to as a soil-improver across a wide-range of topographic and climatic regimes, hence a set of experiments were designed to assess the effect of changing slope gradient and rainfall intensity on the transport of pollutants. The experiments were carried out using University of Bristol's TRACE (Test Rig for Advancing Connectivity Experiments) facility. The facility includes a dual axis soil slope (6 x 2.5 x 0.3 m3) and 6-nozzle rainfall simulator, which enables the manipulation of the slope to simulate different slope gradient and rainfall scenarios. Cattle slurry was applied to the top 1 metre strip of the experimental soil slope followed by four rainfall simulations, where the gradient (5° & 10°) and the rainfall intensity (60 & 120 mm hr-1) were co-varied. Leachate was sampled from different flow pathways (surface, subsurface and percolated) via multiple outlets on the slope throughout the experiments and soil cores were taken from the slope after each experiment. Novel tracers were used to trace the pollutants in both dissolved and sediment-bound forms. Fluorescence spectroscopy was used to trace dissolved slurry-derived material via water flow pathways, as the slurry was found to have a distinct signature compared with the soil. The fluorescence signatures of the leachates were compared with those of many organic compounds in order to characterise the origin of the signal. This allowed the assessment of the longevity of the signal in the environment to establish if it could be used as a robust long-term tracer of slurry material in water or if would be subject to transform processes through time. 5-βstanols, organic compounds unique to ruminant faeces, were used to trace the transport of sediment-bound pollutants from the slurry which could be transported into water bodies via erosion processes. The results showed that contributions of potential pollutants from the surface and subsurface flow pathways and from the eroded sediment differ according to slope gradient and rainfall intensity. Therefore, as the contribution of each of these pathways changes in response to rainfall and slope gradient, the pollution risk also changes accordingly, as different organic compounds are mobilised at varying rates. Rapid hydrological response to rainfall results in erosion and surface transport of sediment-bound and dissolved pollutants, creating an immediate contamination threat. However, conditions resulting in a slower hydrological response and the predominance of flow percolation over surface runoff results in higher rates of dissolved pollutant transport through the soil layers which risks contamination of subsurface and deeper ground-water systems. These experiments provide insight into the pathways and timing of contaminant transport with potential implications for understanding contamination risk from the transfer of slurry from land to water bodies. Understanding this threat is critical at a time when pressure is on to develop land-management strategies to reduce pollution alongside maintaining food security.

In silico analysis of decomposed reflectances of C3 and C4 plants aiming at the effective assessment of crop needs

NASA Astrophysics Data System (ADS)

Baranoski, Gladimir V. G.; Van Leeuwen, Spencer; Chen, Tenn F.

2017-04-01

By separating the surface and subsurface components of foliar hyperspectral signatures using polarization optics, it is possible to enhance the remote discrimination of different plant species and optimize the assessment of different factors associated with their health status. These initiatives, in turn, can lead to higher crop yield and lower environmental impact. It is important to consider, however, that the main varieties of crops, represented by C3 (e.g., soy) and C4 (e.g., maize) plants, have markedly distinct morphological characteristics. Accordingly, the influence of these characteristics on their interactions with impinging light may affect the selection of optimal probe wavelengths for specific applications making use of combined hyperspectral and polarization measurements. In this paper, we compare the sensitivity of the total (including surface and subsurface components) and subsurface reflectance responses of C3 and C4 plants to different spectral and geometrical light incidence conditions. This investigation is supported by measured biophysical data and predictive light transport simulations. The results of our comparisons indicate that the total and subsurface reflectance responses of C3 and C4 plants depict well-defined patterns of sensitivity for varying illumination conditions. We believe that these patterns should be considered in the design of high-fidelity crop discrimination and monitoring procedures.

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

PubMed Central

Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

2014-01-01

The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

Reply to 'Comment on kinetic modeling of microbially-driven redox chemistry of subsurface environments: coupling transport, microbial metabolism and geochemistry' by J. Griffioen

NASA Astrophysics Data System (ADS)

Hunter, K. S.; Van Cappellen, P.

2000-01-01

Our paper, 'Kinetic modeling of microbially-driven redox chemistry of subsurface environments: coupling transport, microbial metabolism and geochemistry' (Hunter et al., 1998), presents a theoretical exploration of biogeochemical reaction networks and their importance to the biogeochemistry of groundwater systems. As with any other model, the kinetic reaction-transport model developed in our paper includes only a subset of all physically, biologically and chemically relevant processes in subsurface environments. It considers aquifer systems where the primary energy source driving microbial activity is the degradation of organic matter. In addition to the primary biodegradation pathways of organic matter (i.e. respiration and fermentation), the redox chemistry of groundwaters is also affected by reactions not directly involving organic matter oxidation. We refer to the latter as secondary reactions. By including secondary redox reactions which consume reduced reaction products (e.g., Mn2+, FeS, H2S), and in the process compete with microbial heterotrophic populations for available oxidants (i.e. O2, NO3-, Mn(IV), Fe(III), SO42-), we predict spatio-temporal distributions of microbial activity which differ significantly from those of models which consider only the biodegradation reactions. That is, the secondary reactions have a significant impact on the distributions of the rates of heterotrophic and chemolithotrophic metabolic pathways. We further show that secondary redox reactions, as well as non-redox reactions, significantly influence the acid-base chemistry of groundwaters. The distributions of dissolved inorganic redox species along flowpaths, however, are similar in simulations with and without secondary reactions (see Figs. 3(b) and 7(b) in Hunter et al., 1998), indicating that very different biogeochemical reaction dynamics may lead to essentially the same chemical redox zonation of a groundwater system.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cobb, M. A.; Dockter, R. E.

The permeability of ground surfaces within the U.S. Department of Energy’s (DOE) Hanford Site strongly influences boundary conditions when simulating the movement of groundwater using the Subsurface Transport Over Multiple Phases model. To conduct site-wide modeling of cumulative impacts to groundwater from past, current, and future waste management activities, a site-wide assessment of the permeability of surface conditions is needed. The surface condition of the vast majority of the Hanford Site has been and continues to be native soils vegetated with dryland grasses and shrubs.

Ocean Transport Pathways to a World Heritage Fringing Coral Reef: Ningaloo Reef, Western Australia.

PubMed

Xu, Jiangtao; Lowe, Ryan J; Ivey, Gregory N; Jones, Nicole L; Zhang, Zhenlin

2016-01-01

A Lagrangian particle tracking model driven by a regional ocean circulation model was used to investigate the seasonally varying connectivity patterns within the shelf circulation surrounding the 300 km long Ningaloo Reef in Western Australia (WA) during 2009-2010. Forward-in-time simulations revealed that surface water was transported equatorward and offshore in summer due to the upwelling-favorable winds. In winter, however, water was transported polewards down the WA coast due to the seasonally strong Leeuwin Current. Using backward-in-time simulations, the subsurface transport pathways revealed two main source regions of shelf water reaching Ningaloo Reef: (1) a year-round source to the northeast in the upper 100 m of water column; and (2) during the summer, an additional source offshore and to the west of Ningaloo in depths between ~30 and ~150 m. Transient wind-driven coastal upwelling, onshore geostrophic transport and stirring by offshore eddies were identified as the important mechanisms influencing the source water origins. The identification of these highly time-dependent transport pathways and source water locations is an essential step towards quantifying how key material (e.g., nutrients, larvae, contaminants, etc.) is exchanged between Ningaloo Reef and the surrounding shelf ocean, and how this is mechanistically coupled to the complex ocean dynamics in this region.

Ocean Transport Pathways to a World Heritage Fringing Coral Reef: Ningaloo Reef, Western Australia

PubMed Central

Xu, Jiangtao; Lowe, Ryan J.; Ivey, Gregory N.; Jones, Nicole L.; Zhang, Zhenlin

2016-01-01

A Lagrangian particle tracking model driven by a regional ocean circulation model was used to investigate the seasonally varying connectivity patterns within the shelf circulation surrounding the 300 km long Ningaloo Reef in Western Australia (WA) during 2009–2010. Forward-in-time simulations revealed that surface water was transported equatorward and offshore in summer due to the upwelling-favorable winds. In winter, however, water was transported polewards down the WA coast due to the seasonally strong Leeuwin Current. Using backward-in-time simulations, the subsurface transport pathways revealed two main source regions of shelf water reaching Ningaloo Reef: (1) a year-round source to the northeast in the upper 100 m of water column; and (2) during the summer, an additional source offshore and to the west of Ningaloo in depths between ~30 and ~150 m. Transient wind-driven coastal upwelling, onshore geostrophic transport and stirring by offshore eddies were identified as the important mechanisms influencing the source water origins. The identification of these highly time-dependent transport pathways and source water locations is an essential step towards quantifying how key material (e.g., nutrients, larvae, contaminants, etc.) is exchanged between Ningaloo Reef and the surrounding shelf ocean, and how this is mechanistically coupled to the complex ocean dynamics in this region. PMID:26790154

Thermal–moisture dynamics of embankments with asphalt pavement in permafrost regions of central Tibetan Plateau

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wen, Zhi; Zhang, Mingli; Ma, Wei

Subsurface moisture content is one of the critical factors that control the thermal dynamics of embankments. However, information on the subsurface moisture movement and distribution in embankments is still limited. To better understand the coupled water and heat transport within embankments, subsurface temperature and moisture of an asphalt pavement highway were extensively measured from 2009 to 2011. Collected data indicate that pure heat conduction is the overall main mechanism of heat transport in the embankment and heat convection plays a relatively unimportant role in heat transport. The results also indicate that subsurface moisture and temperature dynamics in the asphalt layermore » is strongly related to the rainfall events, while the subsurface moisture content below the road base course maintains relatively constant. Rainfall in summer leads to rapid cooling of the subsurface soil. Our results suggest that frequent and small rainfall events favour the thermal stability of the embankment due to the loss of latent heat of water evaporation. Moisture migration during freezing still occurred in the gravel fill and the water infiltrated into the active layer during thawing period. Freezing-induced water migration may result in the increase in water content of the embankment and the decrease in compactness of gravel fill.« less

Effect of natural particles on the transport of lindane in saturated porous media: Laboratory experiments and model-based analysis

NASA Astrophysics Data System (ADS)

Ngueleu, Stéphane K.; Grathwohl, Peter; Cirpka, Olaf A.

2013-06-01

Colloidal particles can act as carriers for adsorbing pollutants, such as hydrophobic organic pollutants, and enhance their mobility in the subsurface. In this study, we investigate the influence of colloidal particles on the transport of pesticides through saturated porous media by column experiments. We also investigate the effect of particle size on this transport. The model pesticide is lindane (gamma-hexachlorocyclohexane), a representative hydrophobic insecticide which has been banned in 2009 but is still used in many developing countries. The breakthrough curves are analyzed with the help of numerical modeling, in which we examine the minimum model complexity needed to simulate such transport. The transport of lindane without particles can be described by advective-dispersive transport coupled to linear three-site sorption, one site being in local equilibrium and the others undergoing first-order kinetic sorption. In the presence of mobile particles, the total concentration of mobile lindane is increased, that is, lindane is transported not only in aqueous solution but also sorbed onto the smallest, mobile particles. The models developed to simulate separate and associated transport of lindane and the particles reproduced the measurements very well and showed that the adsorption/desorption of lindane to the particles could be expressed by a common first-order rate law, regardless whether the particles are mobile, attached, or strained.

Machine learning to construct reduced-order models and scaling laws for reactive-transport applications

NASA Astrophysics Data System (ADS)

Mudunuru, M. K.; Karra, S.; Vesselinov, V. V.

2017-12-01

The efficiency of many hydrogeological applications such as reactive-transport and contaminant remediation vastly depends on the macroscopic mixing occurring in the aquifer. In the case of remediation activities, it is fundamental to enhancement and control of the mixing through impact of the structure of flow field which is impacted by groundwater pumping/extraction, heterogeneity, and anisotropy of the flow medium. However, the relative importance of these hydrogeological parameters to understand mixing process is not well studied. This is partially because to understand and quantify mixing, one needs to perform multiple runs of high-fidelity numerical simulations for various subsurface model inputs. Typically, high-fidelity simulations of existing subsurface models take hours to complete on several thousands of processors. As a result, they may not be feasible to study the importance and impact of model inputs on mixing. Hence, there is a pressing need to develop computationally efficient models to accurately predict the desired QoIs for remediation and reactive-transport applications. An attractive way to construct computationally efficient models is through reduced-order modeling using machine learning. These approaches can substantially improve our capabilities to model and predict remediation process. Reduced-Order Models (ROMs) are similar to analytical solutions or lookup tables. However, the method in which ROMs are constructed is different. Here, we present a physics-informed ML framework to construct ROMs based on high-fidelity numerical simulations. First, random forests, F-test, and mutual information are used to evaluate the importance of model inputs. Second, SVMs are used to construct ROMs based on these inputs. These ROMs are then used to understand mixing under perturbed vortex flows. Finally, we construct scaling laws for certain important QoIs such as degree of mixing and product yield. Scaling law parameters dependence on model inputs are evaluated using cluster analysis. We demonstrate application of the developed method for model analyses of reactive-transport and contaminant remediation at the Los Alamos National Laboratory (LANL) chromium contamination sites. The developed method is directly applicable for analyses of alternative site remediation scenarios.

A Reactive Transport Model for Marcellus Shale Weathering

NASA Astrophysics Data System (ADS)

Li, L.; Heidari, P.; Jin, L.; Williams, J.; Brantley, S.

2017-12-01

Shale formations account for 25% of the land surface globally. One of the most productive shale-gas formations is the Marcellus, a black shale that is rich in organic matter and pyrite. As a first step toward understanding how Marcellus shale interacts with water, we developed a reactive transport model to simulate shale weathering under ambient temperature and pressure conditions, constrained by soil chemistry and water data. The simulation was carried out for 10,000 years, assuming bedrock weathering and soil genesis began right after the last glacial maximum. Results indicate weathering was initiated by pyrite dissolution for the first 1,000 years, leading to low pH and enhanced dissolution of chlorite and precipitation of iron hydroxides. After pyrite depletion, chlorite dissolved slowly, primarily facilitated by the presence of CO2 and organic acids, forming vermiculite as a secondary mineral. A sensitivity analysis indicated that the most important controls on weathering include the presence of reactive gases (CO2 and O2), specific surface area, and flow velocity of infiltrating meteoric water. The soil chemistry and mineralogy data could not be reproduced without including the reactive gases. For example, pyrite remained in the soil even after 10,000 years if O2 was not continuously present in the soil column; likewise, chlorite remained abundant and porosity remained small with the presence of soil CO2. The field observations were only simulated successfully when the specific surface areas of the reactive minerals were 1-3 orders of magnitude smaller than surface area values measured for powdered minerals, reflecting the lack of accessibility of fluids to mineral surfaces and potential surface coating. An increase in the water infiltration rate enhanced weathering by removing dissolution products and maintaining far-from-equilibrium conditions. We conclude that availability of reactive surface area and transport of H2O and gases are the most important factors affecting chemical weathering of the Marcellus shale in the shallow subsurface. This study documents the utility of reactive transport modeling for complex subsurface processes. Such modelling could be extended to understand interactions between injected fluids and Marcellus shale gas reservoirs at higher temperature and pressure.

Modeling the complex shape evolution of sedimenting particle swarms in fractures

NASA Astrophysics Data System (ADS)

Mitchell, C. A.; Nitsche, L.; Pyrak-Nolte, L. J.

2016-12-01

The flow of micro- and nano-particles through subsurface systems can occur in several environments, such as hydraulic fracturing or enhanced oil recovery. Computer simulations were performed to advance our understanding of the complexity of subsurface particle swarm transport in fractures. Previous experiments observed that particle swarms in fractures with uniform apertures exhibit enhanced transport speeds and suppressed bifurcations for an optimal range of apertures. Numerical simulations were performed for low Reynolds number, no interfacial tension and uniform viscosity conditions with particulate swarms represented by point-particles that mutually interact through their (regularized) Stokeslet fields. A P3 M technique accelerates the summations for swarms exceeding 105 particles. Fracture wall effects were incorporated using a least-squares variant of the method of fundamental solutions, with grid mapping of the surface force and source elements within the fast-summation scheme. The numerical study was executed on the basis of dimensionless variables and parameters, in the interest of examining the fundamental behavior and relationships of particle swarms in the presence of uniform apertures. Model parameters were representative of particle swarms experiments to enable direct comparison of the results with the experimental observations. The simulations confirmed that the principal phenomena observed in the experiments can be explained within the realm of Stokes flow. The numerical investigation effectively replicated swarm evolution in a uniform fracture and captured the coalescence, torus and tail formation, and ultimate breakup of the particle swarm as it fell under gravity in a quiescent fluid. The rate of swarm evolution depended on the number of particles in a swarm. When an ideal number of particles was used, swarm transport was characterized by an enhanced velocity regime as observed in the laboratory data. Understanding the physics particle swarms in fractured media will improve the ability to perform controlled micro-particulate transport through rock. Acknowledgment: This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Geosciences Research Program under Award Number (DE-FG02-09ER16022).

Gas Transport and Detection Following Underground Nuclear Explosions

NASA Astrophysics Data System (ADS)

Carrigan, C. R.; Sun, Y.; Wagoner, J. L.; Zucca, J. J.

2011-12-01

Some extremely rare radioactive noble gases are by-products of underground nuclear explosions, and the detection of significant levels of these gases (e.g., Xe-133 and Ar-37) at the surface is a very strong indicator of the occurrence of an underground nuclear event. Because of their uniqueness, such noble gas signatures can be confirmatory of the nuclear nature of an event while signatures from other important detection methods, such as anomalous seismicity, are generally not. As a result, noble gas detection at a suspected underground nuclear test site is considered to be the most important technique available to inspectors operating under the On-Site-Inspection protocol of the Comprehensive Nuclear Test Ban Treaty. A one-kiloton chemical underground explosion, the Non-Proliferation Experiment (NPE), was carried out at the Nevada Test Site in 1993 and represented the first On-Site-Inspection oriented test of subsurface gas transport with subsequent detection at the surface using soil gas sampling methods. A major conclusion of the experiment was that noble gases from underground nuclear tests have a good possibility of being detected even if the test is well contained. From this experiment and from computer simulations, we have also learned significant lessons about the modes of gas transport to the surface and the importance of careful subsurface sampling to optimize the detected noble gas signature. Understanding transport and sampling processes for a very wide range of geologic and testing scenarios presents significant challenges that we are currently addressing using sensitivity studies, which we attempt to verify using experiments such as the NPE and a new subsurface gas migration experiment that is now being undertaken at the National Center for Nuclear Security. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Time series analysis of contaminant transport in the subsurface: applications to conservative tracer and engineered nanomaterials.

PubMed

Bai, Chunmei; Li, Yusong

2014-08-01

Accurately predicting the transport of contaminants in the field is subject to multiple sources of uncertainty due to the variability of geological settings, the complexity of field measurements, and the scarcity of data. Such uncertainties can be amplified when modeling some emerging contaminants, such as engineered nanomaterials, when a fundamental understanding of their fate and transport is lacking. Typical field work includes collecting concentration at a certain location for an extended period of time, or measuring the movement of plume for an extended period time, which would result in a time series of observation data. This work presents an effort to evaluate the possibility of applying time series analysis, particularly, autoregressive integrated moving average (ARIMA) models, to forecast contaminant transport and distribution in the subsurface environment. ARIMA modeling was first assessed in terms of its capability to forecast tracer transport at two field sites, which had different levels of heterogeneity. After that, this study evaluated the applicability of ARIMA modeling to predict the transport of engineered nanomaterials at field sites, including field measured data of nanoscale zero valent iron and (nZVI) and numerically generated data for the transport of nano-fullerene aggregates (nC60). This proof-of-concept effort demonstrates the possibility of applying ARIMA to predict the contaminant transport in the subsurface environment. Like many other statistical models, ARIMA modeling is only descriptive and not explanatory. The limitation and the challenge associated with applying ARIMA modeling to contaminant transport in the subsurface are also discussed. Copyright © 2014 Elsevier B.V. All rights reserved.

Time series analysis of contaminant transport in the subsurface: Applications to conservative tracer and engineered nanomaterials

NASA Astrophysics Data System (ADS)

Bai, Chunmei; Li, Yusong

2014-08-01

Accurately predicting the transport of contaminants in the field is subject to multiple sources of uncertainty due to the variability of geological settings, the complexity of field measurements, and the scarcity of data. Such uncertainties can be amplified when modeling some emerging contaminants, such as engineered nanomaterials, when a fundamental understanding of their fate and transport is lacking. Typical field work includes collecting concentration at a certain location for an extended period of time, or measuring the movement of plume for an extended period time, which would result in a time series of observation data. This work presents an effort to evaluate the possibility of applying time series analysis, particularly, autoregressive integrated moving average (ARIMA) models, to forecast contaminant transport and distribution in the subsurface environment. ARIMA modeling was first assessed in terms of its capability to forecast tracer transport at two field sites, which had different levels of heterogeneity. After that, this study evaluated the applicability of ARIMA modeling to predict the transport of engineered nanomaterials at field sites, including field measured data of nanoscale zero valent iron and (nZVI) and numerically generated data for the transport of nano-fullerene aggregates (nC60). This proof-of-concept effort demonstrates the possibility of applying ARIMA to predict the contaminant transport in the subsurface environment. Like many other statistical models, ARIMA modeling is only descriptive and not explanatory. The limitation and the challenge associated with applying ARIMA modeling to contaminant transport in the subsurface are also discussed.

A field study of colloid transport in surface and subsurface flows

NASA Astrophysics Data System (ADS)

Zhang, Wei; Tang, Xiang-Yu; Xian, Qing-Song; Weisbrod, Noam; Yang, Jae E.; Wang, Hong-Lan

2016-11-01

Colloids have been recognized to enhance the migration of strongly-sorbing contaminants. However, few field investigations have examined combined colloid transport via surface runoff and subsurface flows. In a headwater catchment of the upper Yangtze River, a 6 m (L) by 4 m (W) sloping (6°) farmland plot was built by cement walls to form no-flow side boundaries. The plot was monitored in the summer of 2014 for the release and transport of natural colloids via surface runoff and subsurface flows (i.e., the interflow from the soil-mudrock interface and fracture flow from the mudrock-sandstone interface) in response to rain events. The water sources of the subsurface flows were apportioned to individual rain events using a two end-member model (i.e., mobile pre-event soil water extracted by a suction-cup sampler vs. rainwater (event water)) based on δ18O measurements. For rain events with high preceding soil moisture, mobile pre-event soil water was the main contributor (generally >60%) to the fracture flow. The colloid concentration in the surface runoff was 1-2 orders of magnitude higher than that in the subsurface flows. The lowest colloid concentration was found in the subsurface interflow, which was probably the result of pore-scale colloid straining mechanisms. The rainfall intensity and its temporal variation govern the dynamics of the colloid concentrations in both surface runoff and subsurface flows. The duration of the antecedent dry period affected not only the relative contributions of the rainwater and the mobile pre-event soil water to the subsurface flows but also the peak colloid concentration, particularly in the fracture flow. The <10 μm fine colloid size fraction accounted for more than 80% of the total suspended particles in the surface runoff, while the colloid size distributions of both the interflow and the fracture flow shifted towards larger diameters. These results highlight the need to avoid the application of strongly-sorbing agrochemicals (e.g., pesticides, phosphorus fertilizers) immediately before rainfall following a long no-rain period because their transport in association with colloids may occur rapidly over long distances via both surface runoff and subsurface flows with rainfall.

Reactive Transport Modeling of Subsurface Arsenic Removal Systems in Rural Bangladesh

NASA Astrophysics Data System (ADS)

Bakker, M.; Rahman, M. M.; van Breukelen, B. M.; Ahmed, K. M.

2014-12-01

Elevated concentrations of arsenic (As) in the groundwater of the shallow aquifers of Bangladesh are a major public health concern. Subsurface Arsenic Removal (SAR) is a relatively new treatment option that can potentially be a cost effective method for arsenic removal for community-based drinking water supplies. The basic idea of SAR is to extract water, aerate it, and re-inject it, after which groundwater with reduced arsenic concentrations may be extracted. The main process for As reduction is sorption to Hydrous Ferric Oxides (HFO) that forms after injection of the aerated water. The purpose of this poster is to investigate the major geochemical processes responsible for the (im)mobilization of As during SAR operation. SAR was applied at a test site in Muradnagar upazila in Comilla district about 100 km southeast of Dhaka in Bangladesh. Multiple extraction/aeration/re-injection cycles were performed and water samples were analyzed. A PHREEQC reactive transport model (RTM) was used in a radial flow setting to try to reproduce the measurements. Kinetic oxidation/dissolution reactions, cation exchange, and surface complexation were simulated. The simulation of different reactions enables the possibility to discern the reaction parameters involved in the im(mobilization) of As. The model fit has reasonable agreement with the observed data for major ions and trace elements. The model suggests an increasing sorption capacity due to the gradual development of HFO precipitates resulting from the injection phases. Modeled breakthrough curves of As, Fe(II), and Mn, match the measured increase of As, Fe(II), and Mn removal with successive cycles. The model illustrates that the pH of groundwater during SAR operation has a great impact on As sorption in the subsurface. The surface complexation modeling suggests that competitive displacement of As by H4SiO4 is an important factor limiting As removal during SAR operation.

Prediction uncertainty and data worth assessment for groundwater transport times in an agricultural catchment

NASA Astrophysics Data System (ADS)

Zell, Wesley O.; Culver, Teresa B.; Sanford, Ward E.

2018-06-01

Uncertainties about the age of base-flow discharge can have serious implications for the management of degraded environmental systems where subsurface pathways, and the ongoing release of pollutants that accumulated in the subsurface during past decades, dominate the water quality signal. Numerical groundwater models may be used to estimate groundwater return times and base-flow ages and thus predict the time required for stakeholders to see the results of improved agricultural management practices. However, the uncertainty inherent in the relationship between (i) the observations of atmospherically-derived tracers that are required to calibrate such models and (ii) the predictions of system age that the observations inform have not been investigated. For example, few if any studies have assessed the uncertainty of numerically-simulated system ages or evaluated the uncertainty reductions that may result from the expense of collecting additional subsurface tracer data. In this study we combine numerical flow and transport modeling of atmospherically-derived tracers with prediction uncertainty methods to accomplish four objectives. First, we show the relative importance of head, discharge, and tracer information for characterizing response times in a uniquely data rich catchment that includes 266 age-tracer measurements (SF6, CFCs, and 3H) in addition to long term monitoring of water levels and stream discharge. Second, we calculate uncertainty intervals for model-simulated base-flow ages using both linear and non-linear methods, and find that the prediction sensitivity vector used by linear first-order second-moment methods results in much larger uncertainties than non-linear Monte Carlo methods operating on the same parameter uncertainty. Third, by combining prediction uncertainty analysis with multiple models of the system, we show that data-worth calculations and monitoring network design are sensitive to variations in the amount of water leaving the system via stream discharge and irrigation withdrawals. Finally, we demonstrate a novel model-averaged computation of potential data worth that can account for these uncertainties in model structure.

Nutrient loss in leachate and surface runoff from surface-broadcast and subsurface-banded broiler litter

USDA-ARS?s Scientific Manuscript database

Subsurface band application of poultry litter has been shown to reduce the transport of nutrients from fields in surface runoff, compared to the conventional surface broadcast application. Little in situ research has been conducted to determine effects of surface broadcast application and subsurfac...

Investigation of the influence of groundwater advection on energy extraction rates for sustainable borehole heat exchanger operation

NASA Astrophysics Data System (ADS)

Schelenz, Sophie; Dietrich, Peter; Vienken, Thomas

2016-04-01

A sustainable thermal exploitation of the shallow subsurface requires a precise understanding of all relevant heat transport processes. Currently, planning practice of shallow geothermal systems (especially for systems < 30 kW) focuses on conductive heat transport as the main energy source while the impact of groundwater flow as the driver for advective heat transport is neglected or strongly simplified. The presented study proves that those simplifications of complex geological and hydrogeological subsurface characteristics are insufficient for a precise evaluation of site-specific energy extraction rates. Based on synthetic model scenarios with varying subsurface conditions (groundwater flow velocity and aquifer thickness) the impact of advection on induced long term temperature changes in 5 and 10 m distance of the borehole heat exchanger is presented. Extending known investigations, this study enhances the evaluation of shallow geothermal energy extraction rates by considering conductive and advective heat transport under varying aquifer thicknesses. Further, it evaluates the impact of advection on installation lengths of the borehole heat exchanger to optimize the initial financial investment. Finally, an evaluation approach is presented that classifies relevant heat transport processes according to their Péclet number to enable a first quantitative assessment of the subsurface energy regime and recommend further investigation and planning procedures.

Mineral transformation and biomass accumulation associated with uranium bioremediation at Rifle, Colorado

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, L.; Steefel, C.I.; Williams, K.H.

2009-04-20

Injection of organic carbon into the subsurface as an electron donor for bioremediation of redox-sensitive contaminants like uranium often leads to mineral transformation and biomass accumulation, both of which can alter the flow field and potentially bioremediation efficacy. This work combines reactive transport modeling with a column experiment and field measurements to understand the biogeochemical processes and to quantify the biomass and mineral transformation/accumulation during a bioremediation experiment at a uranium contaminated site near Rifle, Colorado. We use the reactive transport model CrunchFlow to explicitly simulate microbial community dynamics of iron and sulfate reducers, and their impacts on reaction rates.more » The column experiment shows clear evidence of mineral precipitation, primarily in the form of calcite and iron monosulfide. At the field scale, reactive transport simulations suggest that the biogeochemical reactions occur mostly close to the injection wells where acetate concentrations are highest, with mineral precipitate and biomass accumulation reaching as high as 1.5% of the pore space. This work shows that reactive transport modeling coupled with field data can be an effective tool for quantitative estimation of mineral transformation and biomass accumulation, thus improving the design of bioremediation strategies.« less

Mineral transformation and biomass accumulation associated with uranium bioremediation at Rifle, Colorado.

PubMed

Li, Li; Steefel, Carl I; Williams, Kenneth H; Wilkins, Michael J; Hubbard, Susan S

2009-07-15

Injection of organic carbon into the subsurface as an electron donor for bioremediation of redox-sensitive contaminants like uranium often leads to mineral transformation and biomass accumulation, both of which can alter the flow field and potentially bioremediation efficacy. This work combines reactive transport modeling with a column experiment and field measurements to understand the biogeochemical processes and to quantify the biomass and mineral transformation/accumulation during a bioremediation experiment at a uranium contaminated site near Rifle, Colorado. We use the reactive transport model CrunchFlow to explicitly simulate microbial community dynamics of iron and sulfate reducers, and their impacts on reaction rates. The column experiment shows clear evidence of mineral precipitation, primarily in the form of calcite and iron monosulfide. At the field scale, reactive transport simulations suggest that the biogeochemical reactions occur mostly close to the injection wells where acetate concentrations are highest, with mineral precipitate and biomass accumulation reaching as high as 1.5% of the pore space. This work shows that reactive transport modeling coupled with field data can bean effective tool for quantitative estimation of mineral transformation and biomass accumulation, thus improving the design of bioremediation strategies.

Groundwater Salinity Simulation of a Subsurface Reservoir in Taiwan

NASA Astrophysics Data System (ADS)

Fang, H. T.

2015-12-01

The subsurface reservoir is located in Chi-Ken Basin, Pescadores (a group islands located at western part of Taiwan). There is no river in these remote islands and thus the freshwater supply is relied on the subsurface reservoir. The basin area of the subsurface reservoir is 2.14 km2 , discharge of groundwater is 1.27×106m3 , annual planning water supplies is 7.9×105m3 , which include for domestic agricultural usage. The annual average temperature is 23.3oC, average moisture is 80~85%, annual average rainfall is 913 mm, but ET rate is 1975mm. As there is no single river in the basin; the major recharge of groundwater is by infiltration. Chi-Ken reservoir is the first subsurface reservoir in Taiwan. Originally, the water quality of the reservoir is good. The reservoir has had the salinity problem since 1991 and it became more and more serious from 1992 until 1994. Possible reason of the salinity problem was the shortage of rainfall or the leakage of the subsurface barrier which caused the seawater intrusion. The present study aimed to determine the leakage position of subsurface barrier that caused the salinity problem. In order to perform the simulation for different possible leakage position of the subsurface reservoir, a Groundwater Modeling System (GMS) is used to define soils layer data, hydro-geological parameters, initial conditions, boundary conditions and the generation of three dimension meshes. A three dimension FEMWATER(Yeh , 1996) numerical model was adopted to find the possible leakage position of the subsurface barrier and location of seawater intrusion by comparing the simulation of different possible leakage with the observations. 1.By assuming the leakage position in the bottom of barrier, the simulated numerical result matched the observation better than the other assumed leakage positions. It showed that the most possible leakage position was at the bottom of the barrier. 2.The research applied three dimension FEMWATER and GMS as an interface to input parameter. The simulation of water level and chloride concentration already showed the real situation, and the result can be applied to the future study of the Chi-Ken subsurface reservoir salinity problems.

Parameter and observation importance in modelling virus transport in saturated porous media - Investigations in a homogenous system

USGS Publications Warehouse

Barth, Gilbert R.; Hill, M.C.

2005-01-01

This paper evaluates the importance of seven types of parameters to virus transport: hydraulic conductivity, porosity, dispersivity, sorption rate and distribution coefficient (representing physical-chemical filtration), and in-solution and adsorbed inactivation (representing virus inactivation). The first three parameters relate to subsurface transport in general while the last four, the sorption rate, distribution coefficient, and in-solution and adsorbed inactivation rates, represent the interaction of viruses with the porous medium and their ability to persist. The importance of four types of observations to estimate the virus-transport parameters are evaluated: hydraulic heads, flow, temporal moments of conservative-transport concentrations, and virus concentrations. The evaluations are conducted using one- and two-dimensional homogeneous simulations, designed from published field experiments, and recently developed sensitivity-analysis methods. Sensitivity to the transport-simulation time-step size is used to evaluate the importance of numerical solution difficulties. Results suggest that hydraulic conductivity, porosity, and sorption are most important to virus-transport predictions. Most observation types provide substantial information about hydraulic conductivity and porosity; only virus-concentration observations provide information about sorption and inactivation. The observations are not sufficient to estimate these important parameters uniquely. Even with all observation types, there is extreme parameter correlation between porosity and hydraulic conductivity and between the sorption rate and in-solution inactivation. Parameter estimation was accomplished by fixing values of porosity and in-solution inactivation.

Upscaling of reaction rates in reactive transport using pore-scale reactive transport model

NASA Astrophysics Data System (ADS)

Yoon, H.; Dewers, T. A.; Arnold, B. W.; Major, J. R.; Eichhubl, P.; Srinivasan, S.

2013-12-01

Dissolved CO2 during geological CO2 storage may react with minerals in fractured rocks, confined aquifers, or faults, resulting in mineral precipitation and dissolution. The overall rate of reaction can be affected by coupled processes among hydrodynamics, transport, and reactions at the (sub) pore-scale. In this research pore-scale modeling of coupled fluid flow, reactive transport, and heterogeneous reaction at the mineral surface is applied to account for permeability alterations caused by precipitation-induced pore-blocking. This work is motivated by the observed CO2 seeps from a natural analog to geologic CO2 sequestration at Crystal Geyser, Utah. A key observation is the lateral migration of CO2 seep sites at a scale of ~ 100 meters over time. A pore-scale model provides fundamental mechanistic explanations of how calcite precipitation alters flow paths by pore plugging under different geochemical compositions and pore configurations. In addition, response function of reaction rates will be constructed from pore-scale simulations which account for a range of reaction regimes characterized by the Damkohler and Peclet numbers. Newly developed response functions will be used in a continuum scale model that may account for large-scale phenomena mimicking lateral migration of surface CO2 seeps. Comparison of field observations and simulations results will provide mechanistic explanations of the lateral migration and enhance our understanding of subsurface processes associated with the CO2 injection. This work is supported as part of the Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001114. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

A laboratory study of colloid and solute transport in surface runoff on saturated soil

NASA Astrophysics Data System (ADS)

Yu, Congrong; Gao, Bin; Muñoz-Carpena, Rafael; Tian, Yuan; Wu, Lei; Perez-Ovilla, Oscar

2011-05-01

SummaryColloids in surface runoff may pose risks to the ecosystems not only because some of them (e.g., pathogens) are toxic, but also because they may facilitate the transport of other contaminants. Although many studies have been conducted to explore colloid fate and transport in the environment, current understanding of colloids in surface runoff is still limited. In this study, we conducted a range of laboratory experiments to examine the transport behavior of colloids in a surface runoff system, made of a soil box packed with quartz sand with four soil drainage outlets and one surface flow outlet. A natural clay colloid (kaolinite) and a conservative chemical tracer (bromide) were applied to the system under a simulated rainfall event (64 mm/h). Effluent soil drainage and surface flow samples were collected to determine the breakthrough concentrations of bromide and kaolinite. Under the experimental conditions tested, our results showed that surface runoff dominated the transport processes. As a result, kaolinite and bromide were found more in surface flow than in soil drainage. Comparisons between the breakthrough concentrations of bromide and kaolinite showed that kaolinite had lower mobility than bromide in the subsurface flow (i.e., soil drainage), but behaved almost identical to bromide in the surface runoff. Student's t-test confirmed the difference between kaolinite and bromide in subsurface flow ( p = 0.02). Spearman's test and linear regression analysis, however, showed a strong 1:1 correlation between kaolinite and bromide in surface runoff ( p < 0.0001). Our result indicate that colloids and chemical solutes may behave similarly in overland flow on bare soils with limited drainage when surface runoff dominates the transport processes.

Applications of numerical methods to simulate the movement of contaminants in groundwater.

PubMed Central

Sun, N Z

1989-01-01

This paper reviews mathematical models and numerical methods that have been extensively used to simulate the movement of contaminants through the subsurface. The major emphasis is placed on the numerical methods of advection-dominated transport problems and inverse problems. Several mathematical models that are commonly used in field problems are listed. A variety of numerical solutions for three-dimensional models are introduced, including the multiple cell balance method that can be considered a variation of the finite element method. The multiple cell balance method is easy to understand and convenient for solving field problems. When the advection transport dominates the dispersion transport, two kinds of numerical difficulties, overshoot and numerical dispersion, are always involved in solving standard, finite difference methods and finite element methods. To overcome these numerical difficulties, various numerical techniques are developed, such as upstream weighting methods and moving point methods. A complete review of these methods is given and we also mention the problems of parameter identification, reliability analysis, and optimal-experiment design that are absolutely necessary for constructing a practical model. PMID:2695327

Simulating the evolution of non-point source pollutants in a shallow water environment.

PubMed

Yan, Min; Kahawita, Rene

2007-03-01

Non-point source pollution originating from surface applied chemicals in either liquid or solid form as part of agricultural activities, appears in the surface runoff caused by rainfall. The infiltration and transport of these pollutants has a significant impact on subsurface and riverine water quality. The present paper describes the development of a unified 2-D mathematical model incorporating individual models for infiltration, adsorption, solubility rate, advection and diffusion, which significantly improve the current practice on mathematical modeling of pollutant evolution in shallow water. The governing equations have been solved numerically using cubic spline integration. Experiments were conducted at the Hydrodynamics Laboratory of the Ecole Polytechnique de Montreal to validate the mathematical model. Good correspondence between the computed results and experimental data has been obtained. The model may be used to predict the ultimate fate of surface applied chemicals by evaluating the proportions that are dissolved, infiltrated into the subsurface or are washed off.

Characterizing mercury concentrations and fluxes in a Coastal Plain watershed: Insights from dynamic modeling and data

USGS Publications Warehouse

Golden, H.E.; Knightes, C.D.; Conrads, P.A.; Davis, G.M.; Feaster, T.D.; Journey, C.A.; Benedict, S.T.; Brigham, M.E.; Bradley, P.M.

2012-01-01

Mercury (Hg) is one of the leading water quality concerns in surface waters of the United States. Although watershed-scale Hg cycling research has increased in the past two decades, advances in modeling watershed Hg processes in diverse physiographic regions, spatial scales, and land cover types are needed. The goal of this study was to assess Hg cycling in a Coastal Plain system using concentrations and fluxes estimated by multiple watershed-scale models with distinct mathematical frameworks reflecting different system dynamics. We simulated total mercury (HgT, the sum of filtered and particulate forms) concentrations and fluxes from a Coastal Plain watershed (McTier Creek) using three watershed Hg models and an empirical load model. Model output was compared with observed in-stream HgT. We found that shallow subsurface flow is a potentially important transport mechanism of particulate HgT during periods when connectivity between the uplands and surface waters is maximized. Other processes (e.g., stream bank erosion, sediment re-suspension) may increase particulate HgT in the water column. Simulations and data suggest that variable source area (VSA) flow and lack of rainfall interactions with surface soil horizons result in increased dissolved HgT concentrations unrelated to DOC mobilization following precipitation events. Although flushing of DOC-HgT complexes from surface soils can also occur during this period, DOC-complexed HgT becomes more important during base flow conditions. TOPLOAD simulations highlight saturated subsurface flow as a primary driver of daily HgT loadings, but shallow subsurface flow is important for HgT loads during high-flow events. Results suggest limited seasonal trends in HgT dynamics.

Characterizing mercury concentrations and fluxes in a Coastal Plain watershed: Insights from dynamic modeling and data

USGS Publications Warehouse

Golden, H.E.; Knightes, C.D.; Conrads, P.A.; Davis, G.M.; Feaster, T.D.; Journey, C.A.; Benedict, S.T.; Brigham, M.E.; Bradley, P.M.

2012-01-01

Mercury (Hg) is one of the leading water quality concerns in surface waters of the United States. Although watershed-scale Hg cycling research has increased in the past two decades, advances in modeling watershed Hg processes in diverse physiographic regions, spatial scales, and land cover types are needed. The goal of this study was to assess Hg cycling in a Coastal Plain system using concentrations and fluxes estimated by multiple watershed-scale models with distinct mathematical frameworks reflecting different system dynamics. We simulated total mercury (Hg T, the sum of filtered and particulate forms) concentrations and fluxes from a Coastal Plain watershed (McTier Creek) using three watershed Hg models and an empirical load model. Model output was compared with observed in-stream Hg T. We found that shallow subsurface flow is a potentially important transport mechanism of particulate Hg T during periods when connectivity between the uplands and surface waters is maximized. Other processes (e.g., stream bank erosion, sediment re-suspension) may increase particulate Hg T in the water column. Simulations and data suggest that variable source area (VSA) flow and lack of rainfall interactions with surface soil horizons result in increased dissolved Hg T concentrations unrelated to DOC mobilization following precipitation events. Although flushing of DOC-Hg T complexes from surface soils can also occur during this period, DOC-complexed Hg T becomes more important during base flow conditions. TOPLOAD simulations highlight saturated subsurface flow as a primary driver of daily Hg T loadings, but shallow subsurface flow is important for Hg T loads during high-flow events. Results suggest limited seasonal trends in Hg T dynamics. Copyright 2012 by the American Geophysical Union.

DNA-labeled micro- and nanoparticles: a new approach to study contaminant transport in the subsurface

NASA Astrophysics Data System (ADS)

McNew, C.; Wang, C.; Kocis, T. N.; Murphy, N. P.; Dahlke, H. E.

2017-12-01

Though our understanding of contaminant behavior in the subsurface has improved, our ability to measure and predict complex contaminant transport pathways at hillslope to watershed scales is still lacking. By utilizing bio-molecular nanotechnology developed for nano-medicines and drug delivery, we are able to produce DNA-labeled micro- and nanoparticles for use in a myriad of environmental systems. Control of the fabrication procedure allows us to produce particles of custom size, charge, and surface functionality to mimic the transport properties of the particulate contaminant or colloid of interest. The use of custom sequenced DNA allows for the fabrication of an enormous number of unique particle labels (approximately 1.61 x 1060 unique sequences) and the ability to discern between varied spatial and temporal applications, or the transport effect of varied particle size, charge, or surface properties. To date, this technology has been utilized to study contaminant transport from lab to field scales, including surface and open channel flow applications, transport in porous media, soil retention, and even subglacial flow pathways. Here, we present the technology for production and detection of the DNA-labeled particles along with the results from a current hillslope study at the Sierra Foothills Research and Extension Center (SFREC). This field study utilizes spatial and temporal variations in DNA-labeled particle applications to identify subsurface pollutant transport pathways through the four distinct soil horizons present at the SFREC site. Results from this and previous studies highlight the tremendous potential of the DNA-labeled particle technology for studying contaminant transport through the subsurface.

Synthetic seismic monitoring using reverse-time migration and Kirchhoff migration for CO2 sequestration in Korea

NASA Astrophysics Data System (ADS)

Kim, W.; Kim, Y.; Min, D.; Oh, J.; Huh, C.; Kang, S.

2012-12-01

During last two decades, CO2 sequestration in the subsurface has been extensively studied and progressed as a direct tool to reduce CO2 emission. Commercial projects such as Sleipner, In Salah and Weyburn that inject more than one million tons of CO2 per year are operated actively as well as test projects such as Ketzin to study the behavior of CO2 and the monitoring techniques. Korea also began the CCS (CO2 capture and storage) project. One of the prospects for CO2 sequestration in Korea is the southwestern continental margin of Ulleung basin. To monitor the behavior of CO2 underground for the evaluation of stability and safety, several geophysical monitoring techniques should be applied. Among various geophysical monitoring techniques, seismic survey is considered as the most effective tool. To verify CO2 migration in the subsurface more effectively, seismic numerical simulation is an essential process. Furthermore, the efficiency of the seismic migration techniques should be investigated for various cases because numerical seismic simulation and migration test help us accurately interpret CO2 migration. In this study, we apply the reverse-time migration and Kirchhoff migration to synthetic seismic monitoring data generated for the simplified model based on the geological structures of Ulleung basin in Korea. Synthetic seismic monitoring data are generated for various cases of CO2 migration in the subsurface. From the seismic migration images, we can investigate CO2 diffusion patterns indirectly. From seismic monitoring simulation, it is noted that while the reverse-time migration generates clear subsurface images when subsurface structures are steeply dipping, Kirchhoff migration has an advantage in imaging horizontal-layered structures such as depositional sediments appearing in the continental shelf. The reverse-time migration and Kirchhoff migration present reliable subsurface images for the potential site characterized by stratigraphical traps. In case of vertical CO2 migration at injection point, the reverse time migration yields better images than Kirchhoff migration does. On the other hand, Kirchhoff migration images horizontal CO2 migration clearer than the reverse time migration does. From these results, we can conclude that the reverse-time migration and Kirchhoff migration can complement with each other to describe the behavior of CO2 in the subsurface. Acknowledgement This work was financially supported by the Brain Korea 21 project of Energy Systems Engineering, the "Development of Technology for CO2 Marine Geological Storage" program funded by the Ministry of Land, Transport and Maritime Affairs (MLTM) of Korea and the Korea CCS R&D Center (KCRC) grant funded by the Korea government (Ministry of Education, Science and Technology) (No. 2012-0008926).

Clathrate hydrates as possible source of episodic methane releases on Mars

NASA Astrophysics Data System (ADS)

Karatekin, Özgür; Gloesener, Elodie; Temel, Orkun

2017-04-01

Methane has been shown to vary with location and time in the Martian atmosphere, with abundances of up to tens of parts-per-billion by volume (ppbv). Since methane is short-lived on geological time scales, its presence implies the existence of an active, current source of methane that is yet to be understood. In this study we investigate the destabilization of subsurface reservoirs of clathrate hydrates as a possible geological source of methane. Clathrate hydrates are crystalline compounds constituted by cages of hydrogen-bonded water molecules, inside of which guest gas molecules are trapped. We show the present-day maps of methane clathrate stability zones, in particular in the vicinity of Gale Crater where the Sample Analysis at Mars (SAM) suite on the Curiosity rover has made in situ measurements of atmospheric methane, during more than 3 years. Curiosity has observed spikes of elevated methane levels of 7 ppbv on four sequential observations over a 2-month period. The possibility of episodic releases consistent with curiosity observations from a subsurface clathrate source, is investigated using a gas transport through porous Martian regolith considering different depths of reservoirs. Transport of the released methane spike into the atmosphere is simulated using the PlanetWRF model.

A new technology for determining transport parameters in porous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Conca, J.L.; Wright, J.

The UFA Method can directly and rapidly measure transport parameters for any porous medium over a wide range of water contents and conditions. UFA results for subsurface sediments at a mixed-waste disposal site at the Hanford Site in Washington State provided the data necessary for detailed hydrostratigraphic mapping, subsurface flux and recharge distributions, and subsurface chemical mapping. Seven hundred unsaturated conductivity measurements along with pristine pore water extractions were obtained in only six months using the UFA. These data are used to provide realistic information to conceptual models, predictive models and restoration strategies.

Gas Transport through Fractured Rock near the U20az Borehole, Pahute Mesa, Nevada.

NASA Astrophysics Data System (ADS)

Rockhold, M.; Lowrey, J. D.; Kirkham, R.; Olsen, K.; Waichler, S.; White, M. D.; Wurstner White, S.

2017-12-01

Field experiments were performed in 2012-13 and 2016-17 at the U-20az testbed at the Nevada National Security Site to develop and evaluate capabilities for monitoring and modeling noble gas transport associated with underground nuclear explosions (UNE). Experiments were performed by injecting both chemical (CF2BR2, SF6) and radioactive (37Ar, 127Xe) gas species into the deep subsurface at this legacy UNE site and monitoring the breakthrough of the gases at different locations on or near the ground surface. Gas pressures were also monitored in both the chimney and at ground surface. Field experiments were modeled using the parallel, non-isothermal, two-phase flow and transport simulator, STOMP-GT. A site conceptual-numerical model was developed from a geologic framework model, and using a dual-porosity/permeability model for the constitutive relative permeability-saturation-capillary pressure relations of the fractured rock units. Comparisons of observed and simulated gas species concentrations show that diffusion is a highly effective transport mechanism under ambient conditions in the water-unsaturated fractured rock. Over-pressurization of the cavity during one of the field campaigns, and barometric pressure fluctuations are shown to result in enhanced gas transport by advection through fractures.

Hydrologic response of catchments to precipitation: Quantification of mechanical carriers and origins of water

NASA Astrophysics Data System (ADS)

Park, Y.-J.; Sudicky, E. A.; Brookfield, A. E.; Jones, J. P.

2011-12-01

Precipitation-induced overland and groundwater flow and mixing processes are quantified to analyze the temporal (event and pre-event water) and spatial (groundwater discharge and overland runoff) origins of water entering a stream. Using a distributed-parameter control volume finite-element simulator that can simultaneously solve the fully coupled partial differential equations describing 2-D Manning and 3-D Darcian flow and advective-dispersive transport, mechanical flow (driven by hydraulic potential) and tracer-based hydrograph separation (driven by dispersive mixing as well as mechanical flow) are simulated in response to precipitation events in two cross sections oriented parallel and perpendicular to a stream. The results indicate that as precipitation becomes more intense, the subsurface mechanical flow contributions tend to become less significant relative to the total pre-event stream discharge. Hydrodynamic mixing can play an important role in enhancing pre-event tracer signals in the stream. This implies that temporally tagged chemical signals introduced into surface-subsurface flow systems from precipitation may not be strong enough to detect the changes in the subsurface flow system. It is concluded that diffusive/dispersive mixing, capillary fringe groundwater ridging, and macropore flow can influence the temporal sources of water in the stream, but any sole mechanism may not fully explain the strong pre-event water discharge. Further investigations of the influence of heterogeneity, residence time, geomorphology, and root zone processes are required to confirm the conclusions of this study.

Hydrologic response of catchments to precipitation: Quantification of mechanical carriers and origins of water

USGS Publications Warehouse

Park, Y.-J.; Sudicky, E.A.; Brookfield, A.E.; Jones, J.P.

2011-01-01

Precipitation-induced overland and groundwater flow and mixing processes are quantified to analyze the temporal (event and pre-event water) and spatial (groundwater discharge and overland runoff) origins of water entering a stream. Using a distributed-parameter control volume finite-element simulator that can simultaneously solve the fully coupled partial differential equations describing 2-D Manning and 3-D Darcian flow and advective-dispersive transport, mechanical flow (driven by hydraulic potential) and tracer-based hydrograph separation (driven by dispersive mixing as well as mechanical flow) are simulated in response to precipitation events in two cross sections oriented parallel and perpendicular to a stream. The results indicate that as precipitation becomes more intense, the subsurface mechanical flow contributions tend to become less significant relative to the total pre-event stream discharge. Hydrodynamic mixing can play an important role in enhancing pre-event tracer signals in the stream. This implies that temporally tagged chemical signals introduced into surface-subsurface flow systems from precipitation may not be strong enough to detect the changes in the subsurface flow system. It is concluded that diffusive/dispersive mixing, capillary fringe groundwater ridging, and macropore flow can influence the temporal sources of water in the stream, but any sole mechanism may not fully explain the strong pre-event water discharge. Further investigations of the influence of heterogeneity, residence time, geomorphology, and root zone processes are required to confirm the conclusions of this study. Copyright 2011 by the American Geophysical Union.

Transport and Clogging of Particulate Flow in Fracture Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koplik, Joel

The aim of the project is to understand the effects of confinement in narrow rough-walled fractures on the transport behavior of fluids and suspended particles in subsurface hydro- carbon reservoirs. A key motivation for the study is that such fracture systems provide the highest throughput in oil and gas extraction and have been the focus of recent industrial activity. The scientific challenge is to understand how the confined geometry alters transport phenomena, and in particular its influence on (diagnostic) tracer transport and the effects of flow channeling and clogging on fluid motion. An important complicating feature of geological fractures ismore » the self-affine fractal nature of their surface roughness, leading to irregular but correlated fluid and particle motion. The key technique used is computer simulation, augmented by analytical calculations and collaboration with outside experimental colleagues when possible. The principal topics studied were fluid permeability, tracer dispersion, flow channeling and anisotropy, particle transport in narrow channels and particle trapping in tight fractures.« less

Transport of Carbon Tetrachloride in a Fractured Vadose Zone due to Atmospheric Pressure Fluctuations, Diffusion, and Vapor Density

NASA Astrophysics Data System (ADS)

McCray, J. E.; Downs, W.; Falta, R. W.; Housley, T.

2005-12-01

DNAPL sources of carbon tetrachloride (CT) vapors are of interest at the Radioactive Waste Management Complex (RWMC) at the Idaho National Engineering and Environmental Laboratory (INEEL). The site is underlain by thick fractured basalt that includes sedimentary interbeds, each are a few meters thick. Daily atmospheric pressure fluctuations serve as driving forces for CT vapor transport in the subsurface. Other important transport processes for vapor movement include gas-phase diffusion and density-driven transport. The objective of this research is to investigate the influence and relative importance of these processes on gaseous transport of CT. Gas pressure and vapor concentration measurements were conducted at various depths in two wells. A numerical multiphase flow model (TOUGH2), calibrated to field pressure data, is used to conduct sensitivity analyses to elucidate the importance of the different transport mechanisms. Results show that the basalt is highly permeable to vertical air flow. The pressure dampening occurs mainly in the sedimentary interbeds. Model-calibrated permeability values for the interbeds are similar to those obtained in a study by the U.S. Geological Survey for shallow sediments, and an order of magnitude higher than column-scale values obtained by previous studies conducted by INEEL scientists. The transport simulations indicate that considering the effect of barometric pressure changes is critical to simulating transport of pollutants in the vadose zone above the DNAPL source. Predicted concentrations can be orders of magnitude smaller than actual concentrations if the effect is not considered. Below the DNAPL vapor source, accounting for density and diffusion alone would yield acceptable results provided that a 20% error in concentrations are acceptable, and that simulating concentrations trends (and not actual concentrations) is the primary goal.

Surfactant-Enhanced Size-Excluded Transport of Bacteria Through Unsaturated Porous Media.

NASA Astrophysics Data System (ADS)

Zhu, J.

2017-12-01

US domestic waste water is rich in surfactants because of the intensive usage of surfactants-containing household product. It results in a surfactants presence environment when this untreated waste water released into subsurface. It was reported that surfactants enhance the colloidal transport in porous media, which have significant effect on issues such as subsurface pathogens contamination and biodegradation. In this study, soil column experiments were conducted. The soil column was remained unsaturated and with a steady flow passing through it. Escherichia coli K-12 transported in the soil column and its breakthrough data was collected in presence of surfactant anionic surfactant linear alkylbenzene sulfonate (LAS) concentration range over 0, 0.25, 0.5, 0.75, 1, and 2 times Critical Micelle Concentration (CMC). It was found that the increase in LAS concentration greatly increases breakthrough concentration C/C0 and decreases breakthrough time tb until LAS concentration reaches 1 xCMC. Numerical models were built simulating and investigating this phenomenon. The goodness of model fitting was greatly improved by adding exclusion factor into the model, which indicated that the presence of surfactant might enhance the exclusion effect. The relationships between LAS concentration and the two coefficients, deposition rate coefficient k and exclusion effect coefficient θim, were found can be fitted by a quasi-Langmuir equation. And the model validation with observed data showed that the model has an acceptable reliability.

Using a Process Based Model to Simulate the Effects of Drainage and Land Use Change on Hydrology, and Sediment and Nutrient Transport in the Midwestern United States

NASA Astrophysics Data System (ADS)

Downer, C. W.; Pradhan, N. R.; Skahill, B. E.; Wahl, M.; Turnbull, S. J.

2015-12-01

Historically the Midwestern United State was a region dominated by prairie grasses and wetlands. To make use of the rich soils underlying these fertile environments, farmers converted the land to agriculture and currently the Midwest is a region of intensive agricultural production, with agriculture being a predominant land use. The Midwest is a region of gentle slopes, tight soils, and high water tables, and in order to make the lands suitable for agriculture, farmers have installed extensive networks of ditches to drain off excess surface water and subsurface tiles to lower the water table and remove excess soil water in the root zone that can stress common row crops, such as corn and soybeans. The combination of tiles, ditches, and intensive agricultural land practices radically alters the landscape and hydrology. As part of the Minnesota River Basin Integrated Study we are simulating nested watersheds in a sub-basin of the Minnesota River Basin, Seven Mile Creek, using the physics-based watershed model GSSHA (Gridded Surface Subsurface Hydrologic Analysis) to simulate water, sediment, and nutrients. Representative of the larger basin, more than 80% of the land in the watershed is dedicated to agricultural practices. From a process perspective, the hydrology is complicated, with snow accumulation and melt, frozen soil, and tile drains all being important processes within the watershed. In this study we attempt to explicitly simulate these processes, including the tile drains, which are simulated as a network of subsurface pipes that collect water from the local water table. Within the watershed, tiles discharge to both the ditch/stream network as well as overland locations, where the tile discharge appears to initiate gullies and exacerbate overland erosion. Testing of the methods on smaller basins demonstrates the ability of the model to simulate measured tile flow. At the larger scale, the model demonstrates ability to simulate flow and sediments. Sparse nutrient data limit the assessment of nutrient simulations. The models are being used to asses an array of potential future land use scenarios, including predevelopment and increased agricultural use. Results from these simulations will be presented. Preliminary results indicate that tile drains increase discharge and erosion in the watershed.

Nutrient transport through a Vegetative Filter Strip with subsurface drainage.

PubMed

Bhattarai, Rabin; Kalita, Prasanta Kumar; Patel, Mita Kanu

2009-04-01

The transport of nutrients and soil sediments in runoff has been recognized as a noteworthy environmental issue. Vegetative Filter Strips (VFS) have been used as one of the best management practices (BMPs) for retaining nutrients and sediments from surface runoff, thus preventing the pollutants from reaching receiving waters. However, the effectiveness of a VFS when combined with a subsurface drainage system has not been investigated previously. This study was undertaken to monitor the retention and transport of nutrients within a VFS that had a subsurface drainage system installed at a depth of 1.2 m below the soil surface. Nutrient concentrations of NO(3)-N (Nitrate Nitrogen), PO(-)(4) (Orthophosphorus), and TP (Total Phosphorus) were measured in surface water samples (entering and leaving the VFS), and subsurface outflow. Soil samples were collected and analyzed for plant available Phosphorus (Bray P1) and NO(3)-N concentrations. Results showed that PO(-)(4), NO(3)-N, and TP concentrations decreased in surface flow through the VFS. Many surface outflow water samples from the VFS showed concentration reductions of as much as 75% for PO(-)(4) and 70% for TP. For subsurface outflow water samples through the drainage system, concentrations of PO(-)(4) and TP decreased but NO(3)-N concentrations increased in comparison to concentrations in surface inflow samples. Soil samples that were collected from various depths in the VFS showed a minimal buildup of nutrients in the top soil profile but indicated a gradual buildup of nutrients at the depth of the subsurface drain. Results demonstrate that although a VFS can be very effective in reducing runoff and nutrients from surface flow, the presence of a subsurface drain underneath the VFS may not be environmentally beneficial. Such a combination may increase NO(3)-N transport from the VFS, thus invalidating the purpose of the BMP.

Impacts of microtopographic snow redistribution and lateral subsurface processes on hydrologic and thermal states in an Arctic polygonal ground ecosystem: a case study using ELM-3D v1.0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bisht, Gautam; Riley, William J.; Wainwright, Haruko M.

Microtopographic features, such as polygonal ground, are characteristic sources of landscape heterogeneity in the Alaskan Arctic coastal plain. In this study, we analyze the effects of snow redistribution (SR) and lateral subsurface processes on hydrologic and thermal states at a polygonal tundra site near Barrow, Alaska. We extended the land model integrated in the E3SM to redistribute incoming snow by accounting for microtopography and incorporated subsurface lateral transport of water and energy (ELM-3D v1.0). Multiple 10-year-long simulations were performed for a transect across a polygonal tundra landscape at the Barrow Environmental Observatory in Alaska to isolate the impact of SRmore » and subsurface process representation. When SR was included, model predictions better agreed (higher R 2, lower bias and RMSE) with observed differences in snow depth between polygonal rims and centers. The model was also able to accurately reproduce observed soil temperature vertical profiles in the polygon rims and centers (overall bias, RMSE, and R 2 of 0.59°C, 1.82°C, and 0.99, respectively). The spatial heterogeneity of snow depth during the winter due to SR generated surface soil temperature heterogeneity that propagated in depth and time and led to ~ 10 cm shallower and ~ 5 cm deeper maximum annual thaw depths under the polygon rims and centers, respectively. Additionally, SR led to spatial heterogeneity in surface energy fluxes and soil moisture during the summer. Excluding lateral subsurface hydrologic and thermal processes led to small effects on mean states but an overestimation of spatial variability in soil moisture and soil temperature as subsurface liquid pressure and thermal gradients were artificially prevented from spatially dissipating over time. The effect of lateral subsurface processes on maximum thaw depths was modest, with mean absolute differences of ~ 3 cm. Our integration of three-dimensional subsurface hydrologic and thermal subsurface dynamics in the E3SM land model will facilitate a wide range of analyses heretofore impossible in an ESM context.« less

Impacts of microtopographic snow-redistribution and lateral subsurface processeson hydrologic and thermal states in an Arctic polygonal ground ecosystem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bisht, Gautam; Riley, William J.; Wainwright, Haruko M.

Microtopographic features, such as polygonal ground, are characteristic sources of landscape heterogeneity in the Alaskan Arctic coastal plain. We analyze the effects of snow redistribution (SR) and lateral subsurface processes on hydrologic and thermal states at a polygonal tundra site near Barrow, Alaska. We extended the land model integrated in the ACME Earth System Model (ESM) to redistribute incoming snow by accounting for microtopography and incorporated subsurface lateral transport of water and energy (ALMv0-3D). Three 10-years long simulations were performed for a transect across polygonal tundra landscape at the Barrow Environmental Observatory in Alaska to isolate the impact of SRmore » and subsurface process representation. When SR was included, model results show a better agreement (higher R 2 with lower bias and RMSE) for the observed differences in snow depth between polygonal rims and centers. The model was also able to accurately reproduce observed soil temperature vertical profiles in the polygon rims and centers (overall bias, RMSE, and R 2 of 0.59°C, 1.82°C, and 0.99, respectively). The spatial heterogeneity of snow depth during the winter due to SR generated surface soil temperature heterogeneity that propagated in depth and time and led to ~10 cm shallower and ~5 cm deeper maximum annual thaw depths under the polygon rims and centers, respectively. Additionally, SR led to spatial heterogeneity in surface energy fluxes and soil moisture during the summer. Excluding lateral subsurface hydrologic and thermal processes led to small effects on mean states but an overestimation of spatial variability in soil moisture and soil temperature as subsurface liquid pressure and thermal gradients were artificially prevented from spatially dissipating over time. The effect of lateral subsurface processes on active layer depths was modest with mean absolute difference of ~3 cm. Finally, our integration of three-dimensional subsurface hydrologic and thermal subsurface dynamics in the ACME land model will facilitate a wide range of analyses heretofore impossible in an ESM context.« less

Impacts of microtopographic snow redistribution and lateral subsurface processes on hydrologic and thermal states in an Arctic polygonal ground ecosystem: a case study using ELM-3D v1.0

DOE PAGES

Bisht, Gautam; Riley, William J.; Wainwright, Haruko M.; ...

2018-01-08

Microtopographic features, such as polygonal ground, are characteristic sources of landscape heterogeneity in the Alaskan Arctic coastal plain. In this study, we analyze the effects of snow redistribution (SR) and lateral subsurface processes on hydrologic and thermal states at a polygonal tundra site near Barrow, Alaska. We extended the land model integrated in the E3SM to redistribute incoming snow by accounting for microtopography and incorporated subsurface lateral transport of water and energy (ELM-3D v1.0). Multiple 10-year-long simulations were performed for a transect across a polygonal tundra landscape at the Barrow Environmental Observatory in Alaska to isolate the impact of SRmore » and subsurface process representation. When SR was included, model predictions better agreed (higher R 2, lower bias and RMSE) with observed differences in snow depth between polygonal rims and centers. The model was also able to accurately reproduce observed soil temperature vertical profiles in the polygon rims and centers (overall bias, RMSE, and R 2 of 0.59°C, 1.82°C, and 0.99, respectively). The spatial heterogeneity of snow depth during the winter due to SR generated surface soil temperature heterogeneity that propagated in depth and time and led to ~ 10 cm shallower and ~ 5 cm deeper maximum annual thaw depths under the polygon rims and centers, respectively. Additionally, SR led to spatial heterogeneity in surface energy fluxes and soil moisture during the summer. Excluding lateral subsurface hydrologic and thermal processes led to small effects on mean states but an overestimation of spatial variability in soil moisture and soil temperature as subsurface liquid pressure and thermal gradients were artificially prevented from spatially dissipating over time. The effect of lateral subsurface processes on maximum thaw depths was modest, with mean absolute differences of ~ 3 cm. Our integration of three-dimensional subsurface hydrologic and thermal subsurface dynamics in the E3SM land model will facilitate a wide range of analyses heretofore impossible in an ESM context.« less

Impacts of microtopographic snow-redistribution and lateral subsurface processeson hydrologic and thermal states in an Arctic polygonal ground ecosystem

DOE PAGES

Bisht, Gautam; Riley, William J.; Wainwright, Haruko M.; ...

2018-01-08

Microtopographic features, such as polygonal ground, are characteristic sources of landscape heterogeneity in the Alaskan Arctic coastal plain. We analyze the effects of snow redistribution (SR) and lateral subsurface processes on hydrologic and thermal states at a polygonal tundra site near Barrow, Alaska. We extended the land model integrated in the ACME Earth System Model (ESM) to redistribute incoming snow by accounting for microtopography and incorporated subsurface lateral transport of water and energy (ALMv0-3D). Three 10-years long simulations were performed for a transect across polygonal tundra landscape at the Barrow Environmental Observatory in Alaska to isolate the impact of SRmore » and subsurface process representation. When SR was included, model results show a better agreement (higher R 2 with lower bias and RMSE) for the observed differences in snow depth between polygonal rims and centers. The model was also able to accurately reproduce observed soil temperature vertical profiles in the polygon rims and centers (overall bias, RMSE, and R 2 of 0.59°C, 1.82°C, and 0.99, respectively). The spatial heterogeneity of snow depth during the winter due to SR generated surface soil temperature heterogeneity that propagated in depth and time and led to ~10 cm shallower and ~5 cm deeper maximum annual thaw depths under the polygon rims and centers, respectively. Additionally, SR led to spatial heterogeneity in surface energy fluxes and soil moisture during the summer. Excluding lateral subsurface hydrologic and thermal processes led to small effects on mean states but an overestimation of spatial variability in soil moisture and soil temperature as subsurface liquid pressure and thermal gradients were artificially prevented from spatially dissipating over time. The effect of lateral subsurface processes on active layer depths was modest with mean absolute difference of ~3 cm. Finally, our integration of three-dimensional subsurface hydrologic and thermal subsurface dynamics in the ACME land model will facilitate a wide range of analyses heretofore impossible in an ESM context.« less

Impacts of microtopographic snow redistribution and lateral subsurface processes on hydrologic and thermal states in an Arctic polygonal ground ecosystem: a case study using ELM-3D v1.0

NASA Astrophysics Data System (ADS)

Bisht, Gautam; Riley, William J.; Wainwright, Haruko M.; Dafflon, Baptiste; Yuan, Fengming; Romanovsky, Vladimir E.

2018-01-01

Microtopographic features, such as polygonal ground, are characteristic sources of landscape heterogeneity in the Alaskan Arctic coastal plain. Here, we analyze the effects of snow redistribution (SR) and lateral subsurface processes on hydrologic and thermal states at a polygonal tundra site near Barrow, Alaska. We extended the land model integrated in the E3SM to redistribute incoming snow by accounting for microtopography and incorporated subsurface lateral transport of water and energy (ELM-3D v1.0). Multiple 10-year-long simulations were performed for a transect across a polygonal tundra landscape at the Barrow Environmental Observatory in Alaska to isolate the impact of SR and subsurface process representation. When SR was included, model predictions better agreed (higher R2, lower bias and RMSE) with observed differences in snow depth between polygonal rims and centers. The model was also able to accurately reproduce observed soil temperature vertical profiles in the polygon rims and centers (overall bias, RMSE, and R2 of 0.59 °C, 1.82 °C, and 0.99, respectively). The spatial heterogeneity of snow depth during the winter due to SR generated surface soil temperature heterogeneity that propagated in depth and time and led to ˜ 10 cm shallower and ˜ 5 cm deeper maximum annual thaw depths under the polygon rims and centers, respectively. Additionally, SR led to spatial heterogeneity in surface energy fluxes and soil moisture during the summer. Excluding lateral subsurface hydrologic and thermal processes led to small effects on mean states but an overestimation of spatial variability in soil moisture and soil temperature as subsurface liquid pressure and thermal gradients were artificially prevented from spatially dissipating over time. The effect of lateral subsurface processes on maximum thaw depths was modest, with mean absolute differences of ˜ 3 cm. Our integration of three-dimensional subsurface hydrologic and thermal subsurface dynamics in the E3SM land model will facilitate a wide range of analyses heretofore impossible in an ESM context.

Final technical report for project titled Quantitative Characterization of Cell Aggregation/Adhesion as Predictor for Distribution and Transport of Microorganisms in Subsurface Environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gu, April Z.; Wan, Kai-tak

This project aims to explore and develop enabling methodology and techniques for nano-scale characterization of microbe cell surface contact mechanics, interactions and adhesion quantities that allow for identification and quantification of indicative properties related to microorganism migration and transport behavior in porous media and in subsurface environments. Microbe transport has wide impact and therefore is of great interest in various environmental applications such as in situ or enhanced subsurface bioremediation,filtration processes for water and wastewater treatments and protection of drinking water supplies. Although great progress has been made towards understanding the identities and activities of these microorganisms in the subsurface,more » to date, little is known of the mechanisms that govern the mobility and transport of microorganisms in DOE’s contaminated sites, making the outcomes of in situ natural attenuation or contaminant stability enhancement unpredictable. Conventionally, movement of microorganisms was believed to follows the rules governing solute (particle) transport. However, recent studies revealed that cell surface properties, especially those pertaining to cell attachment/adhesion and aggregation behavior, can cause the microbe behavior to deviate from non-viable particles and hence greatly influence the mobility and distribution of microorganisms in porous media.This complexity highlights the need to obtain detailed information of cell-cell and cell-surface interactions in order to improve and refine the conceptual and quantitative model development for fate and transport of microorganisms and contaminant in subsurface. Traditional cell surface characterization methods are not sufficient to fully predict the deposition rates and transport behaviors of microorganism observed. A breakthrough of methodology that would allow for quantitative and molecular-level description of intrinsic cell surface properties indicative for cell-surface interactions is essential for the field. To tackle this, we have developed a number of new Bio-nanomechanical techniques, including reflection interference contrast microscopy (RICM) and bio-AFM (Atomic Force Microscopy), for cell adhesion-detachment measurement of the long-range surface interactions, in combination with mathematical modeling, which would allow us to characterize the mechanical behavior from single cell to multi-cell aggregate, critical thresholds for large scale coaggregation and transportation of cells and aggregates in the presence of long range inter-surface forces etc. Although some technical and mathematical challenges remain, the preliminary results promise great breakthrough potential. In this study, we investigated the cellular surface characteristics of representative bio-remediating microorganisms relevant to DOE IFRC (Integrated Field-Scale Subsurface Research Challenges) sites and their transport behaviors in porous media, aiming to draw a groundbreaking correlation between the micro-scale genetic and biological origin-based cell surface properties, the consequent mechanical adhesion and aggregation behaviors, and the macro-scale microbial mobility and retention in porous media, which are unavailable in the literature. The long-term goal is to significantly improve the mechanistic and quantitative understanding of microbial mobility, sorption, and transport within reactive transport models as needed to manipulate subsurface contaminant fate and transport predictions.« less

iTOUGH2: A multiphysics simulation-optimization framework for analyzing subsurface systems

NASA Astrophysics Data System (ADS)

Finsterle, S.; Commer, M.; Edmiston, J. K.; Jung, Y.; Kowalsky, M. B.; Pau, G. S. H.; Wainwright, H. M.; Zhang, Y.

2017-11-01

iTOUGH2 is a simulation-optimization framework for the TOUGH suite of nonisothermal multiphase flow models and related simulators of geophysical, geochemical, and geomechanical processes. After appropriate parameterization of subsurface structures and their properties, iTOUGH2 runs simulations for multiple parameter sets and analyzes the resulting output for parameter estimation through automatic model calibration, local and global sensitivity analyses, data-worth analyses, and uncertainty propagation analyses. Development of iTOUGH2 is driven by scientific challenges and user needs, with new capabilities continually added to both the forward simulator and the optimization framework. This review article provides a summary description of methods and features implemented in iTOUGH2, and discusses the usefulness and limitations of an integrated simulation-optimization workflow in support of the characterization and analysis of complex multiphysics subsurface systems.

Design and laboratory testing of a chamber device to measure total flux of volatile organic compounds from the unsaturated zone under natural conditions.

PubMed

Tillman, Fred D; Smith, James A

2004-11-01

To determine if an aquifer contaminated with volatile organic compounds (VOCs) has potential for natural remediation, all natural processes affecting the fate and transport of VOCs in the subsurface must be identified and quantified. This research addresses the quantification of air-phase volatile organic compounds (VOCs) leaving the unsaturated zone soil gas and entering the atmosphere-including the additional flux provided by advective soil-gas movement induced by barometric pumping. A simple and easy-to-use device for measuring VOC flux under natural conditions is presented. The vertical flux chamber (VFC) was designed using numerical simulations and evaluated in the laboratory. Mass-balance numerical simulations based on continuously stirred tank reactor equations (CSTR) provided information on flux measurement performance of several sampling configurations with the final chamber configuration measuring greater than 96% of model-simulated fluxes. A laboratory device was constructed to evaluate the flux chamber under both diffusion-only and advection-plus-diffusion transport conditions. The flux chamber measured an average of 82% of 15 diffusion-only fluxes and an average of 95% of 15 additional advection-plus-diffusion flux experiments. The vertical flux chamber has the capability of providing reliable measurement of VOC flux from the unsaturated zone under both diffusion and advection transport conditions.

Investigating the Macrodispersion Experiment (MADE) site in Columbus, Mississippi, using a three‐dimensional inverse flow and transport model

USGS Publications Warehouse

Christiansen Barlebo , Heidi; Hill, Mary C.; Rosbjerg, Dan

2004-01-01

Flowmeter‐measured hydraulic conductivities from the heterogeneous MADE site have been used predictively in advection‐dispersion models. Resulting simulated concentrations failed to reproduce even major plume characteristics and some have concluded that other mechanisms, such as dual porosity, are important. Here an alternative possibility is investigated: that the small‐scale flowmeter measurements are too noisy and possibly too biased to use so directly in site‐scale models and that the hydraulic head and transport data are more suitable for site‐scale characterization. Using a calibrated finite element model of the site and a new framework to evaluate random and systematic model and measurement errors, the following conclusions are derived. (1) If variations in subsurface fluid velocities like those simulated in this work (0.1 and 2.0 m per day along parallel and reasonably close flow paths) exist, it is likely that classical advection‐dispersion processes can explain the measured plume characteristics. (2) The flowmeter measurements are possibly systematically lower than site‐scale values when the measurements are considered individually and using common averaging methods and display variability that obscures abrupt changes in hydraulic conductivities that are well supported by changes in hydraulic gradients and are important to the simulation of transport.

Numerical Simulation of Potential Groundwater Contaminant Pathways from Hydraulically Fractured Oil Shale in the Nevada Basin and Range Province

NASA Astrophysics Data System (ADS)

Rybarski, S.; Pohll, G.; Pohlmann, K.; Plume, R.

2014-12-01

In recent years, hydraulic fracturing (fracking) has become an increasingly popular method for extraction of oil and natural gas from tight formations. Concerns have been raised over a number of environmental risks associated with fracking, including contamination of groundwater by fracking fluids, upwelling of deep subsurface brines, and methane migration. Given the potentially long time scale for contaminant transport associated with hydraulic fracturing, numerical modeling remains the best practice for risk assessment. Oil shale in the Humboldt basin of northeastern Nevada has now become a target for hydraulic fracturing operations. Analysis of regional and shallow groundwater flow is used to assess several potential migration pathways specific to the geology and hydrogeology of this basin. The model domain in all simulations is defined by the geologic structure of the basin as determined by deep oil and gas well bores and formation outcrops. Vertical transport of gaseous methane along a density gradient is simulated in TOUGH2, while fluid transport along faults and/or hydraulic fractures and lateral flow through more permeable units adjacent to the targeted shale are modeled in FEFLOW. Sensitivity analysis considers basin, fault, and hydraulic fracturing parameters, and results highlight key processes that control fracking fluid and methane migration and time scales under which it might occur.

Statistics of chemical gradients in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Le Borgne, T.; Huck, P. D.; Dentz, M.; Villermaux, E.

2017-12-01

As they create chemical disequilibrium and drive mixing fluxes, spatial gradients in solute concentrations exert a strong control on mixing and biogeochemical reactions in the subsurface. Large concentration gradients may develop in particular at interfaces between surface water and groundwater bodies, such as hyporheic zones, sea water - surface water interfaces or recharge areas. They also develop around contaminant plumes and fluids injected in subsurface operations. While macrodispersion theories predict smooth gradients, decaying in time due to dispersive dissipation, we show that concentration gradients are sustained by flow heterogeneity and have broadly distributed values. We present a general theory predicting the statistics of concentration gradients from the flow heterogeneity (Le Borgne et al., 2017). Analytical predictions are validated from high resolution simulations of transport in heterogeneous Darcy fields ranging from low to high permeability variances and low to high Peclet numbers. This modelling framework hence opens new perspectives for quantifying the dynamics of chemical gradients and the kinetics of associated biogeochemical reactions in heterogeneous subsurface environments.Reference:Le Borgne T., P.D. Huck, M. Dentz and E. Villermaux (2017) Scalar gradients in stirred mixtures and the deconstruction of random fields, J. of Fluid Mech. vol. 812, pp. 578-610 doi:10.1017/jfm.2016.799

Effects of Atmospheric Conditions and the Land/Atmospheric Interface on Transport of Chemical Vapors from Subsurface Sources

NASA Astrophysics Data System (ADS)

Rice, A. K.; Smits, K. M.; Cihan, A.; Howington, S. E.; Illangasekare, T. H.

2013-12-01

Understanding the movement of chemical vapors and gas through variably saturated soil subjected to atmospheric thermal and mass flux boundary conditions at the land/atmospheric interface is important to many applications, including landmine detection, methane leakage during natural gas production from shale and CO2 leakage from deep geologic storage. New, advanced technologies exist to sense chemical signatures and gas leakage at the land/atmosphere interface, but interpretation of sensor signals remains a challenge. Chemical vapors are subject to numerous interactions while migrating through the soil environment, masking source conditions. The process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal quantification of other processes, such as convective gas flow and temporal or spatial variation in soil moisture. Vapor migration is affected by atmospheric conditions (e.g. humidity, temperature, wind velocity), soil thermal and hydraulic properties and contaminant properties, all of which are physically and thermodynamically coupled. The complex coupling of two drastically different flow regimes in the subsurface and atmosphere is commonly ignored in modeling efforts, or simplifying assumptions are made to treat the systems as de-coupled. Experimental data under controlled laboratory settings are lacking to refine the theory for proper coupling and complex treatment of vapor migration through porous media in conversation with atmospheric flow and climate variations. Improving fundamental understanding and accurate quantification of these processes is not feasible in field settings due to lack of controlled initial and boundary conditions and inability to fully characterize the subsurface at all relevant scales. The goal of this work is to understand the influence of changes in atmospheric conditions to transport of vapors through variably saturated soil. We have developed a tank apparatus with a network of soil and atmospheric sensors and a head space for air flow to simulate the atmospheric boundary layer. Experiments were performed under varying temperature values at the soil surface bounded by the atmospheric boundary layer. The model of Smits et al. [2011], accounting for non-equilibrium phase change and coupled heat, water vapor and liquid water flux through soil, was amended to include organic vapor in the gas phase and migration mechanisms often overlooked in models (thermal and Knudsen diffusion, density driven advection). Experimental results show increased vapor mass flux across the soil/atmospheric interface due to heat applied from the atmosphere and coupling of heat and mass transfer in the shallow subsurface for both steady and diurnal temperature patterns. Comparison of model results to experimental data shows dynamic interactions between transport in porous media and boundary conditions. Results demonstrate the value of considering interactions of the atmosphere and subsurface to better understand chemical gas transport through unsaturated soils and the land/atmospheric interface.

Subsurface thermal coagulation of tissues using near infrared lasers

NASA Astrophysics Data System (ADS)

Chang, Chun-Hung Jack

Noninvasive laser therapy is currently limited primarily to cosmetic dermatological applications such as skin resurfacing, hair removal, tattoo removal and treatment of vascular birthmarks. In order to expand applications of noninvasive laser therapy, deeper optical penetration of laser radiation in tissue as well as more aggressive cooling of the tissue surface is necessary. The near-infrared laser wavelength of 1075 nm was found to be the optimal laser wavelength for creation of deep subsurface thermal lesions in liver tissue, ex vivo, with contact cooling, preserving a surface tissue layer of 2 mm. Monte Carlo light transport, heat transfer, and Arrhenius integral thermal damage simulations were conducted at this wavelength, showing good agreement between experiment and simulations. Building on the initial results, our goal is to develop new noninvasive laser therapies for application in urology, specifically for treatment of female stress urinary incontinence (SUI). Various laser balloon probes including side-firing and diffusing fibers were designed and tested for both transvaginal and transurethral approaches to treatment. The transvaginal approach showed the highest feasibility. To further increase optical penetration depth, various types and concentrations of optical clearing agents were also explored. Three cadavers studies were performed to investigate and demonstrate the feasibility of laser treatment for SUI.

Influence of Assimilation of Subsurface Temperature Measurements on Simulations of Equatorial Undercurrent and South Equatorial Current Along the Pacific Equator

NASA Technical Reports Server (NTRS)

Halpern, David; Leetmaan, Ants; Reynolds, Richard W.; Ji, Ming

1997-01-01

Equatorial Pacific current and temperature fields were simulated with and without assimilation of subsurface temperature measurements for April 1992 - March 1995, and compared with moored bouy and research vessel current measurements.

The effect of soil heterogeneity on ATES performance

NASA Astrophysics Data System (ADS)

Sommer, W.; Rijnaarts, H.; Grotenhuis, T.; van Gaans, P.

2012-04-01

Due to an increasing demand for sustainable energy, application of Aquifer Thermal Energy Storage (ATES) is growing rapidly. Large-scale application of ATES is limited by the space that is available in the subsurface. Especially in urban areas, suboptimal performance is expected due to thermal interference between individual wells of a single system, or interference with other ATES systems or groundwater abstractions. To avoid thermal interference there are guidelines on well spacing. However, these guidelines, and also design calculations, are based on the assumption of a homogeneous subsurface, while studies report a standard deviation in logpermeability of 1 to 2 for unconsolidated aquifers (Gelhar, 1993). Such heterogeneity may create preferential pathways, reducing ATES performance due to increased advective heat loss or interference between ATES wells. The role of hydraulic heterogeneity of the subsurface related to ATES performance has received little attention in literature. Previous research shows that even small amounts of heterogeneity can result in considerable uncertainty in the distribution of thermal energy in the subsurface and an increased radius of influence (Ferguson, 2007). This is supported by subsurface temperature measurements around ATES wells, which suggest heterogeneity gives rise to preferential pathways and short-circuiting between ATES wells (Bridger and Allen, 2010). Using 3-dimensional stochastic heat transport modeling, we quantified the influence of heterogeneity on the performance of a doublet well energy storage system. The following key parameters are varied to study their influence on thermal recovery and thermal balance: 1) regional flow velocity, 2) distance between wells and 3) characteristics of the heterogeneity. Results show that heterogeneity at the scale of a doublet ATES system introduces an uncertainty up to 18% in expected thermal recovery. The uncertainty increases with decreasing distance between ATES wells. The uncertainty in the thermal balance ratio related to heterogeneity is limited (smaller than 3%). If thermal interference should be avoided, wells in heterogeneous aquifers should be placed further apart than in homogeneous aquifers, leading to larger volume claim in the subsurface. By relating the number of ATES systems in an area to their expected performance, these results can be used to optimize regional application of ATES. Bridger, D. W. and D. M. Allen (2010). "Heat transport simulations in a heterogeneous aquifer used for aquifer thermal energy storage (ATES)." Canadian Geotechnical Journal 47(1): 96-115. Ferguson, G. (2007). "Heterogeneity and thermal modeling of ground water." Ground Water 45(4): 485-490. Gelhar, L. W. (1993). Stochastic Subsurface Hydrology, Prentice Hall.

Laboratory experiments on solute transport in bimodal porous media under cyclic precipitation-evaporation boundary conditions

NASA Astrophysics Data System (ADS)

Cremer, Clemens; Neuweiler, Insa

2016-04-01

Flow and solute transport in the shallow subsurface is strongly governed by atmospheric boundary conditions. Erratically varying infiltration and evaporation cycles lead to alternating upward and downward flow, as well as spatially and temporally varying water contents and associated hydraulic conductivity of the prevailing materials. Thus presenting a highly complicated, dynamic system. Knowledge of subsurface solute transport processes is vital to assess e.g. the entry of, potentially hazardous, solutes to the groundwater and nutrient uptake by plant roots and can be gained in many ways. Besides field measurements and numerical simulations, physical laboratory experiments represent a way to establish process understanding and furthermore validate numerical schemes. With the aim to gain a better understanding and to quantify solute transport in the unsaturated shallow subsurface under natural precipitation conditions in heterogeneous media, we conduct physical laboratory experiments in a 22 cm x 8 cm x 1 cm flow cell that is filled with two types of sand and apply cyclic infiltration-evaporation phases at the soil surface. Pressure at the bottom of the domain is kept constant. Following recent studies (Lehmann and Or, 2009; Bechtold et al., 2011a), heterogeneity is introduced by a sharp vertical interface between coarse and fine sand. Fluorescent tracers are used to i) qualitatively visualize transport paths within the domain and ii) quantify solute leaching at the bottom of the domain. Temporal and spatial variations in water content during the experiment are derived from x-ray radiographic images. Monitored water contents between infiltration and evaporation considerably changed in the coarse sand while the fine sand remained saturated throughout the experiments. Lateral solute transport through the interface in both directions at different depths of the investigated soil columns were observed. This depended on the flow rate applied at the soil surface and significantly influenced solute leaching. Dynamic boundary conditions generally resulted in faster initial breakthrough and stronger tailing. References: Bechtold, M., S. Haber-Pohlmeier, J. Vanderborght, A. Pohlmeier, T.P.A. Ferré and H. Veerecken. 2011a. Near-surface solute redistribution during evaporation. Geophys. Res. Lett., 38, L17404, doi:10.1029/2011GL048147. Lehmann, P. and D. Or. 2009. Evaporation and capillary coupling across vertical textural contrasts in porous media. Phys. Rev. E, 80, 046318, doi:10.1103/PhysRevE.80.046318.

Design and maintenance of subsurface gravel wetlands.

DOT National Transportation Integrated Search

2015-02-01

This report summarizes the University of New Hampshire Stormwater Center (UNHSC) evaluation of : a review of Subsurface Gravel Wetlands design and specifications used by the New Hampshire : Department of Transportation (NHDOT or Department). : Subsur...

Subsurface Environment Sampler for Improved In Situ Characterization of Subsurface Microbial Communities

NASA Astrophysics Data System (ADS)

Barnhart, E. P.; Ruppert, L. F.; Orem, W. H.; McIntosh, J. C.; Cunningham, A. B.; Fields, M. W.; Hiebert, R.; Hyatt, R.

2016-12-01

There is an increasing threat that deep aquifers, an important drinking water resource, may be contaminated by the extraction and transport of fossil fuels. This threat increases the need for improved groundwater monitoring and the ability to predict the extent to which microbial activity may remediate such contamination. The characterization of subsurface microbial communities could provide an ideal biomonitoring tool for the assessment of subsurface contamination due to prokaryotes environmental ubiquity, rapidity of response to environmental perturbation and the important role they play in hydrocarbon degradation and bioremediation. New DNA sequencing technologies provide the opportunity to cost-effectively identify the vast subsurface microbial ecosystem, but use of this new technology is restricted due to issues with sampling. Prior subsurface microbiology studies have relied on core samples that are expensive to obtain hard to collect aseptically and/or ground water samples that do not reflect in situ microbial densities or activities. The development of down-well incubation of sterile sediment with a Diffusive Microbial Sampler (DMS) has emerged as an alternative method to sample subsurface microbial communities that minimizes cost and contamination issues associated with traditional methods. We have designed a Subsurface Environment Sampler with a DMS module that could enable the anaerobic transport of the in situ microbial community from the field for laboratory bioremediation studies. This sampler could provide an inexpensive and standard method for subsurface microbial sampling which would make this tool useful for Federal, State, private and local agencies interested in monitoring contamination or the effectiveness of bioremediation activities in subsurface aquifers.

Simulating Mobility of Chemical Contaminants from Unconventional Gas Development for Protection of Water Resources

NASA Astrophysics Data System (ADS)

Kanno, C.; Edlin, D.; Borrillo-Hutter, T.; McCray, J. E.

2014-12-01

Potential contamination of ground water and surface water supplies from chemical contaminants in hydraulic fracturing fluids or in natural gas is of high public concern. However, quantitative assessments have rarely been conducted at specific energy-producing locations so that the true risk of contamination can be evaluated. The most likely pathways for contamination are surface spills and faulty well bores that leak production fluids directly into an aquifer. This study conducts fate and transport simulations of the most mobile chemical contaminants, based on reactivity to subsurface soils, degradation potential, and source concentration, to better understand which chemicals are most likely to contaminate water resources, and to provide information to planners who wish to be prepared for accidental releases. The simulations are intended to be most relevant to the Niobrara shale formation.

Investigating ebullition in a sand column using dissolved gas analysis and reactive transport modeling

USGS Publications Warehouse

Amos, Richard T.; Mayer, K. Ulrich

2006-01-01

Ebullition of gas bubbles through saturated sediments can enhance the migration of gases through the subsurface, affect the rate of biogeochemical processes, and potentially enhance the emission of important greenhouse gases to the atmosphere. To better understand the parameters controlling ebullition, methanogenic conditions were produced in a column experiment and ebullition through the column was monitored and quantified through dissolved gas analysis and reactive transport modeling. Dissolved gas analysis showed rapid transport of CH4 vertically through the column at rates several times faster than the bromide tracer and the more soluble gas CO2, indicating that ebullition was the main transport mechanism for CH4. An empirically derived formulation describing ebullition was integrated into the reactive transport code MIN3P allowing this process to be investigated on the REV scale in a complex geochemical framework. The simulations provided insights into the parameters controlling ebullition and show that, over the duration of the experiment, 36% of the CH4 and 19% of the CO2 produced were transported to the top of the column through ebullition.

The Effects of Subsurface Bioremediation on Soil Structure, Colloid Formation, and Contaminant Transport

NASA Astrophysics Data System (ADS)

Wang, Y.; Liang, X.; Zhuang, J.; Radosevich, M.

2016-12-01

Anaerobic bioremediation is widely applied to create anaerobic subsurface conditions designed to stimulate microorganisms that degrade organic contaminants and immobilize toxic metals in situ. Anaerobic conditions that accompany such techniques also promotes microbially mediated Fe(III)-oxide mineral reduction. The reduction of Fe(III) could potentially cause soil structure breakdown, formation of clay colloids, and alternation of soil surface chemical properties. These processes could then affect bioremediation and the migration of contaminants. Column experiments were conducted to investigate the impact of anaerobic bioreduction on soil structure, hydraulic properties, colloid formation, and transport of three tracers (bromide, DFBA, and silica shelled silver nanoparticles). Columns packed with inoculated water stable soil aggregates were placed in anaerobic glovebox, and artificial groundwater media was pumped into the columns to simulate anaerobic bioreduction process for four weeks. Decent amount of soluble Fe(II) accompanied by colloids were detected in the effluent from bioreduction columns a week after initiation of bioreduction treatment, which demonstrated bioreduction of Fe(III) and formation of colloids. Transport experiments were performed in the columns before and after bioreduction process to assess the changes of hydraulic and surface chemical properties through bioreduction treatment. Earlier breakthrough of bromide and DFBA after treatment indicated alterations in flow paths (formation of preferential flow paths). Less dispersion of bromide and DFBA, and less tailing of DFBA after treatment implied breakdown of soil aggregates. Dramatically enhanced transport and early breakthrough of silica shelled silver nanoparticles after treatment supported the above conclusion of alterations in flow paths, and indicated changes of soil surface chemical properties.

Two-Relaxation-Time Lattice Boltzmann Method for Advective-Diffusive-Reactive Transport

NASA Astrophysics Data System (ADS)

Yan, Z.; Hilpert, M.

2016-12-01

The lattice Boltzmann method (LBM) has been applied to study a wide range of reactive transport in porous and fractured media. The single-relaxation-time (SRT) LBM, employing single relaxation time, is the most popular LBM due to its simplicity of understanding and implementation. Nevertheless, the SRT LBM may suffer from numerical instability for small value of the relaxation time. By contrast, the multiple-relaxation-time (MRT) LBM, employing multiple relaxation times, can improve the numerical stability through tuning the multiple relaxation times, but the complexity of implementing this method restricts its applications. The two-relaxation-time (TRT) LBM, which employs two relaxation times, combines the advantages of SRT and MRT LBMs. The TRT LBM can produce simulations with better accuracy and stability than the SRT one, and is easier to implement than the MRT one. This work evaluated the numerical accuracy and stability of the TRT method by comparing the simulation results with analytical solutions of Gaussian hill transport and Taylor dispersion under different advective velocities. The accuracy generally increased with the tunable relaxation time τ, and the stability first increased and then decreased as τ increased, showing an optimal TRT method emerging the best numerical stability. The free selection of τ enabled the TRT LBM to simulate the Gaussian hill transport and Taylor dispersion under relatively high advective velocity, under which the SRT LBM suffered from numerical instability. Finally, the TRT method was applied to study the contaminant degradation by chemotactic microorganisms in porous media, which acted as a reprehensive of reactive transport in this study, and well predicted the evolution of microorganisms and degradation of contaminants for different transport scenarios. To sum up, the TRT LBM produced simulation results with good accuracy and stability for various advective-diffusive-reactive transport through tuning the relaxation time τ, illustrating its potential to study various biogeochemical behaviors in the subsurface environment.

Evaluating roadway subsurface drainage practices - phase II.

DOT National Transportation Integrated Search

2015-04-01

Well-performing subsurface drainage systems form an important aspect of pavement design by the Iowa Department of : Transportation (DOT). The recently completed Iowa Highway Research Board (IHRB) project TR-643 provided extensive : insights into Iowa...

Development of a geotechnical GIS for subsurface characterization with three dimensional modeling capabilities.

DOT National Transportation Integrated Search

2006-06-01

The New Hampshire Department of Transportation initiated this research to develop a geographical information system (GIS) that : visualizes subsurface conditions three dimensionally by pulling together geotechnical data containing spatial references....

Effect of subsurface drainage on the structural capacity of flexible pavement.

DOT National Transportation Integrated Search

2005-01-01

Following the recommendation of the Virginia Transportation Research Council's Pavement Research Advisory Committee, this project was initiated to determine the effectiveness of including subsurface drainage systems in pavements in Virginia. The rese...

A mobile-mobile transport model for simulating reactive transport in connected heterogeneous fields

NASA Astrophysics Data System (ADS)

Lu, Chunhui; Wang, Zhiyuan; Zhao, Yue; Rathore, Saubhagya Singh; Huo, Jinge; Tang, Yuening; Liu, Ming; Gong, Rulan; Cirpka, Olaf A.; Luo, Jian

2018-05-01

Mobile-immobile transport models can be effective in reproducing heavily tailed breakthrough curves of concentration. However, such models may not adequately describe transport along multiple flow paths with intermediate velocity contrasts in connected fields. We propose using the mobile-mobile model for simulating subsurface flow and associated mixing-controlled reactive transport in connected fields. This model includes two local concentrations, one in the fast- and the other in the slow-flow domain, which predict both the concentration mean and variance. The normalized total concentration variance within the flux is found to be a non-monotonic function of the discharge ratio with a maximum concentration variance at intermediate values of the discharge ratio. We test the mobile-mobile model for mixing-controlled reactive transport with an instantaneous, irreversible bimolecular reaction in structured and connected random heterogeneous domains, and compare the performance of the mobile-mobile to the mobile-immobile model. The results indicate that the mobile-mobile model generally predicts the concentration breakthrough curves (BTCs) of the reactive compound better. Particularly, for cases of an elliptical inclusion with intermediate hydraulic-conductivity contrasts, where the travel-time distribution shows bimodal behavior, the prediction of both the BTCs and maximum product concentration is significantly improved. Our results exemplify that the conceptual model of two mobile domains with diffusive mass transfer in between is in general good for predicting mixing-controlled reactive transport, and particularly so in cases where the transfer in the low-conductivity zones is by slow advection rather than diffusion.

Testing the effects of in-stream sediment sources and sinks on simulated watershed sediment yield using the coupled U.S. Army Corps of Engineers GSSHA Model and SEDLIB Sediment Transport Library

NASA Astrophysics Data System (ADS)

Floyd, I. E.; Downer, C. W.; Brown, G.; Pradhan, N. R.

2017-12-01

The Gridded Surface Subsurface Hydrologic Analysis (GSSHA) model is the US Army Corps of Engineers' (USACE)'s only fully coupled overland/in-stream sediment transport model. While the overland sediment transport formulation in GSSHA is considered state of the art, the existing in-stream sediment transport formulation is less robust. A major omission in the formulation of the existing GSSHA in-stream model is the lack of in-stream sources of fine materials. In this effort, we enhanced the in-stream sediment transport capacity of GSSHA by linking GSSHA to the SEDLIB sediment transport library. SEDLIB was developed at the Coastal and Hydraulics Laboratory (CHL) under the System Wide Water Resources Program (SWWRP) and Flood and Coastal (F&C) research program. It is designed to provide a library of sediment flux formulations for hydraulic and hydrologic models, such as GSSHA. This new version of GSSHA, with the updated in-stream sediment transport simulation capability afforded by the linkage to SEDLIB, was tested in against observations in an experimental watershed that had previously been used as a test bed for GSSHA. The results show a significant improvement in the ability to model in-stream sources of fine sediment. This improved capability will broaden the applicability of GSSHA to larger watersheds and watersheds with complex sediment dynamics, such as those subjected to fire hydrology.

Hydrogeologic controls on nitrate transport in a small agricultural catchment, Iowa

USGS Publications Warehouse

Schilling, K.E.; Tomer, M.D.; Zhang, Y.-K.; Weisbrod, T.; Jacobson, P.; Cambardella, C.A.

2007-01-01

Effects of subsurface deposits on nitrate loss in stream riparian zones are recognized, but little attention has been focused on similar processes occurring in upland agricultural settings. In this paper, we evaluated hydrogeologic controls on nitrate transport processes occurring in a small 7.6 ha Iowa catchment. Subsurface deposits in the catchment consisted of upland areas of loess overlying weathered pre-Illinoian till, drained by two ephemeral drainageways that consisted of Holocene-age silty and organic rich alluvium. Water tables in upland areas fluctuated more than 4 m per year compared to less than 0.3 m in the drainageway. Water quality patterns showed a distinct spatial pattern, with groundwater in the drainageways having lower nitrate concentrations (10 mg L-1) as wells as lower pH, dissolved oxygen and redox, and higher ammonium and dissolved organic carbon levels. Several lines of evidence suggested that conditions are conducive for denitrification of groundwater flowing from uplands through the drainageways. Field-measured nitrate decay rates in the drainageways (???0.02 day-1) were consistent with other laboratory studies and regional patterns. Results from MODFLOW and MT3DMS simulations indicated that soils in the ephemeral drainageways could process all upland groundwater nitrate flowing through them. However, model-simulated tile drainage increased both water flux and nitrate loss from the upland catchment. Study results suggest that ephemeral drainageways can provide a natural nitrate treatment system in our upland glaciated catchments, offering management opportunities to reduce nitrate delivery to streams. Copyright 2007 by the American Geophysical Union.

Modeling Reactive Transport of Strontium-90 in Heterogeneous, Variably Saturated Subsurface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li Wang; Joan Q. Wu; Laurence C. Hull

2010-08-01

Sodium-bearing waste (SBW) containing high concentration of 90Sr was accidentally released to the vadose zone at the Idaho Nuclear Technology and Engineering Center, Idaho National Laboratory, Idaho Falls, ID, in 1972. To investigate the transport and fate of the 90Sr through this 137-m-thick, heterogeneous, variably saturated subsurface, we conducted a two-dimensional numerical modeling using TOUGHREACT under different assumed scenarios (low permeability of an entire interbed or just its surface) for the formation of perched water whose presence reflects the unique characteristics of the geologic materials and stratification at the study site. The results showed that different mechanisms could lead tomore » different flow geometries. The assumption of low permeability for the entire interbed led to the largest saturated zone area and the longest water travel time (55 vs. 43 or 44 yr in other scenarios) from the SBW leakage to the groundwater table. Simulated water travel time from different locations on the land surface to the groundwater aquifer varied from <30 to >80 yr. The results also indicated that different mechanisms may lead to differences in the peak and travel time of a small mobile fraction of Sr. The effective distribution coefficient and retardation factor for Sr2+ would change more than an order of magnitude for the same material during the 200-yr simulation period because of large changes in the concentrations of Sr2+ and competing ions. Understanding the migration rate of the mobile Sr2+ is necessary for designing long-term monitoring programs to detect it.« less

Coupling of geochemical and multiphase flow processes for validation of the MUFITS reservoir simulator against TOUGHREACT

NASA Astrophysics Data System (ADS)

De Lucia, Marco; Kempka, Thomas; Afanasyev, Andrey; Melnik, Oleg; Kühn, Michael

2016-04-01

Coupled reactive transport simulations, especially in heterogeneous settings considering multiphase flow, are extremely time consuming and suffer from significant numerical issues compared to purely hydrodynamic simulations. This represents a major hurdle in the assessment of geological subsurface utilization, since it constrains the practical application of reactive transport modelling to coarse spatial discretization or oversimplified geological settings. In order to overcome such limitations, De Lucia et al. [1] developed and validated a one-way coupling approach between geochemistry and hydrodynamics, which is particularly well suited for CO2 storage simulations, while being of general validity. In the present study, the models used for the validation of the one-way coupling approach introduced by De Lucia et al. (2015), and originally performed with the TOUGHREACT simulator, are transferred to and benchmarked against the multiphase reservoir simulator MUFITS [2]. The geological model is loosely inspired by an existing CO2 storage site. Its grid comprises 2,950 elements enclosed in a single layer, but reflecting a realistic three-dimensional anticline geometry. For the purpose of this comparison, homogeneous and heterogeneous scenarios in terms of porosity and permeability were investigated. In both cases, the results of the MUFITS simulator are in excellent agreement with those produced with the fully-coupled TOUGHREACT simulator, while profiting from significantly higher computational performance. This study demonstrates how a computationally efficient simulator such as MUFITS can be successfully included in a coupled process simulation framework, and also suggests ameliorations and specific strategies for the coupling of chemical processes with hydrodynamics and heat transport, aiming at tackling geoscientific problems beyond the storage of CO2. References [1] De Lucia, M., Kempka, T., and Kühn, M. A coupling alternative to reactive transport simulations for long-term prediction of chemical reactions in heterogeneous CO2 storage systems, Geosci. Model Dev., 8, 279-294, 2015, doi:10.5194/gmd-8-279-2015 [2] Afanasyev, A.A. Application of the reservoir simulator MUFITS for 3D modeling of CO2 storage in geological formations, Energy Procedia, 40, 365-374, 2013, doi:10.1016/j.egypro.2013.08.042

Modelling of spatial contaminant probabilities of occurrence of chlorinated hydrocarbons in an urban aquifer.

PubMed

Greis, Tillman; Helmholz, Kathrin; Schöniger, Hans Matthias; Haarstrick, Andreas

2012-06-01

In this study, a 3D urban groundwater model is presented which serves for calculation of multispecies contaminant transport in the subsurface on the regional scale. The total model consists of two submodels, the groundwater flow and reactive transport model, and is validated against field data. The model equations are solved applying finite element method. A sensitivity analysis is carried out to perform parameter identification of flow, transport and reaction processes. Coming from the latter, stochastic variation of flow, transport, and reaction input parameters and Monte Carlo simulation are used in calculating probabilities of pollutant occurrence in the domain. These probabilities could be part of determining future spots of contamination and their measure of damages. Application and validation is exemplarily shown for a contaminated site in Braunschweig (Germany), where a vast plume of chlorinated ethenes pollutes the groundwater. With respect to field application, the methods used for modelling reveal feasible and helpful tools to assess natural attenuation (MNA) and the risk that might be reduced by remediation actions.

An open-loop ground-water heat pump system: transient numerical modeling and site experimental results

NASA Astrophysics Data System (ADS)

Lo Russo, S.; Taddia, G.; Gnavi, L.

2012-04-01

KEY WORDS: Open-loop ground water heat pump; Feflow; Low-enthalpy; Thermal Affected Zone; Turin; Italy The increasing diffusion of low-enthalpy geothermal open-loop Groundwater Heat Pumps (GWHP) providing buildings air conditioning requires a careful assessment of the overall effects on groundwater system, especially in the urban areas where several plants can be close together and interfere. One of the fundamental aspects in the realization of an open loop low-enthalpy geothermal system is therefore the capacity to forecast the effects of thermal alteration produced in the ground, induced by the geothermal system itself. The impact on the groundwater temperature in the surrounding area of the re-injection well (Thermal Affected Zone - TAZ) is directly linked to the aquifer properties. The transient dynamic of groundwater discharge and temperature variations should be also considered to assess the subsurface environmental effects of the plant. The experimental groundwater heat pump system used in this study is installed at the "Politecnico di Torino" (NW Italy, Piedmont Region). This plant provides summer cooling needs for the university buildings. This system is composed by a pumping well, a downgradient injection well and a control piezometer. The system is constantly monitored by multiparameter probes measuring the dynamic of groundwater temperature. A finite element subsurface flow and transport simulator (FEFLOW) was used to investigate the thermal aquifer alteration. Simulations were continuously performed during May-October 2010 (cooling period). The numerical simulation of the heat transport in the aquifer was solved with transient conditions. The simulation was performed by considering only the heat transfer within the saturated aquifer, without any heat dispersion above or below the saturated zone due to the lack of detailed information regarding the unsaturated zone. Model results were compared with experimental temperature data derived from groundwater monitoring in the surrounding area of the injection well. Such analysis showed that the measured values differ slightly from the simulated values. That small difference is probably due to the simplification assumptions in the modelling. This hypothesis is still under investigation.

Evidence of weak land-atmosphere coupling under varying bare soil conditions: Are fully coupled Darcy/Navier-Stokes models necessary for simulating soil moisture dynamics?

NASA Astrophysics Data System (ADS)

Illangasekare, T. H.; Trautz, A. C.; Howington, S. E.; Cihan, A.

2017-12-01

It is a well-established fact that the land and atmosphere form a continuum in which the individual domains are coupled by heat and mass transfer processes such as bare-soil evaporation. Soil moisture dynamics can be simulated at the representative elementary volume (REV) scale using decoupled and fully coupled Darcy/Navier-Stokes models. Decoupled modeling is an asynchronous approach in which flow and transport in the soil and atmosphere is simulated independently; the two domains are coupled out of time-step via prescribed flux parameterizations. Fully coupled modeling in contrast, solves the governing equations for flow and transport in both domains simultaneously with the use of coupling interface boundary conditions. This latter approach, while being able to provide real-time two-dimensional feedbacks, is considerably more complex and computationally intensive. In this study, we investigate whether fully coupled models are necessary, or if the simpler decoupled models can sufficiently capture soil moisture dynamics under varying land preparations. A series of intermediate-scale physical and numerical experiments were conducted in which soil moisture distributions and evaporation estimates were monitored at high spatiotemporal resolutions for different heterogeneous packing and soil roughness scenarios. All experimentation was conducted at the newly developed Center for Experimental Study of Subsurface Environmental Processes (CESEP) wind tunnel-porous media user test-facility at the Colorado School of. Near-surface atmospheric measurements made during the experiments demonstrate that the land-atmosphere coupling was relatively weak and insensitive to the applied edaphic and surface conditions. Simulations with a decoupled multiphase heat and mass transfer model similarly show little sensitivity to local variations in atmospheric forcing; a single, simple flux parameterization can sufficiently capture the soil moisture dynamics (evaporation and redistribution) as long as the subsurface conditions (i.e., heterogeneity) are properly described. These findings suggest that significant improvements to simulations results should not be expected if fully coupled modeling were adopted in scenarios of weak land-atmosphere coupling in the context of bare soil evaporation.

Microbial growth and transport in saturated and unsaturated porous media

NASA Astrophysics Data System (ADS)

Hron, Pavel; Jost, Daniel; Bastian, Peter; Ippisch, Olaf

2014-05-01

There is a considerable ongoing effort aimed at understanding the behavior of microorganisms in porous media. Microbial activity is of significant interest in various environmental applications such as in situ bioremediation, protection of drinking water supplies and for subsurface geochemistry in general. The main limiting factors for bacterial growth are the availability of electron acceptors, nutrients and bio-available water. The capillary fringe, defined - in a wider sense than usual - as the region of the subsurface above the groundwater table, but still dominated by capillary rise, is a region where all these factors are abundantly available. It is thus a region where high microbial activity is to be expected. In a research unit 'Dynamic Capillary Fringes - A Multidisciplinary Approach (DyCap)' founded by the German Research Foundation (DFG), the growth of microorganisms in the capillary fringe was studied experimentally and with numerical simulations. Processes like component transport and diffusion, exchange between the liquid phase and the gas phase, microbial growth and cell attachment and detachment were incorporated into a numerical simulator. The growth of the facultative anaerobic Escherichia coli as a function of nutrient availability and oxygen concentration in the liquid phase is modeled with modified Monod-type models and modifications for the switch between aerobic and anaerobic growth. Laboratory batch experiments with aqueous solutions of bacteria have been carried out under various combinations of oxygen concentrations in the gas phase and added amounts of dissolved organic carbon to determine the growth model parameters by solution of a parameter estimation problem. For the transport of bacteria the adhesion to phase boundaries is also very important. As microorganisms are transported through porous media, they are removed from the pore fluid by physicochemical filtration (attachment to sediment grain surfaces) or are adhering to gas-water interface. The cell attachment and detachment model was based on flow-through experiments and the parameters were obtained by fitting the model to measured bacteria breakthrough curves. Experiments on bacterial growth in porous media with and without groundwater flow were performed in Hele-Shaw cells filled with quartz sands. The cell density was determined by the fluorescence of a special protein produced by the genetically modified strain of E. coli. The simulation results are compared to experimental data and different modeling approaches are discussed.

Numerical modeling of fracking fluid and methane migration through fault zones in shale gas reservoirs

NASA Astrophysics Data System (ADS)

Taherdangkoo, Reza; Tatomir, Alexandru; Sauter, Martin

2017-04-01

Hydraulic fracturing operation in shale gas reservoir has gained growing interest over the last few years. Groundwater contamination is one of the most important environmental concerns that have emerged surrounding shale gas development (Reagan et al., 2015). The potential impacts of hydraulic fracturing could be studied through the possible pathways for subsurface migration of contaminants towards overlying aquifers (Kissinger et al., 2013; Myers, 2012). The intent of this study is to investigate, by means of numerical simulation, two failure scenarios which are based on the presence of a fault zone that penetrates the full thickness of overburden and connect shale gas reservoir to aquifer. Scenario 1 addresses the potential transport of fracturing fluid from the shale into the subsurface. This scenario was modeled with COMSOL Multiphysics software. Scenario 2 deals with the leakage of methane from the reservoir into the overburden. The numerical modeling of this scenario was implemented in DuMux (free and open-source software), discrete fracture model (DFM) simulator (Tatomir, 2012). The modeling results are used to evaluate the influence of several important parameters (reservoir pressure, aquifer-reservoir separation thickness, fault zone inclination, porosity, permeability, etc.) that could affect the fluid transport through the fault zone. Furthermore, we determined the main transport mechanisms and circumstances in which would allow frack fluid or methane migrate through the fault zone into geological layers. The results show that presence of a conductive fault could reduce the contaminant travel time and a significant contaminant leakage, under certain hydraulic conditions, is most likely to occur. Bibliography Kissinger, A., Helmig, R., Ebigbo, A., Class, H., Lange, T., Sauter, M., Heitfeld, M., Klünker, J., Jahnke, W., 2013. Hydraulic fracturing in unconventional gas reservoirs: risks in the geological system, part 2. Environ Earth Sci 70, 3855-3873. Myers, T., 2012. Potential contaminant pathways from hydraulically fractured shale to aquifers. Groundwater, 50(6), 872-882. Reagan, M.T., Moridis, G.J., Keen, N.D., Johnson, J.N., 2015. Numerical simulation of the environmental impact of hydraulic fracturing of tight/shale gas reservoirs on near-surface groundwater: Background, base cases, shallow reservoirs, short-term gas, and water transport. Water Resources Research 51, 2543-2573. Tatomir, A., 2012. From Discrete to Continuum Concepts of Flow in Fractured Porous Media. Stuttgart University: University of Stuttgart.

Fracture Mechanics Analyses of Subsurface Defects in Reinforced Carbon-Carbon Joggles Subjected to Thermo-Mechanical Loads

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Raju, Ivatury S.; Song, Kyongchan

2011-01-01

Coating spallation events have been observed along the slip-side joggle region of the Space Shuttle Orbiter wing-leading-edge panels. One potential contributor to the spallation event is a pressure build up within subsurface voids or defects due to volatiles or water vapor entrapped during fabrication, refurbishment, or normal operational use. The influence of entrapped pressure on the thermo-mechanical fracture-mechanics response of reinforced carbon-carbon with subsurface defects is studied. Plane-strain simulations with embedded subsurface defects are performed to characterize the fracture mechanics response for a given defect length when subjected to combined elevated-temperature and subsurface-defect pressure loadings to simulate the unvented defect condition. Various subsurface defect locations of a fixed-length substrate defect are examined for elevated temperature conditions. Fracture mechanics results suggest that entrapped pressure combined with local elevated temperatures have the potential to cause subsurface defect growth and possibly contribute to further material separation or even spallation. For this anomaly to occur, several unusual circumstances would be required making such an outcome unlikely but plausible.

Debates—Stochastic subsurface hydrology from theory to practice: The relevance of stochastic subsurface hydrology to practical problems of contaminant transport and remediation. What is characterization and stochastic theory good for?

NASA Astrophysics Data System (ADS)

Fiori, A.; Cvetkovic, V.; Dagan, G.; Attinger, S.; Bellin, A.; Dietrich, P.; Zech, A.; Teutsch, G.

2016-12-01

The emergence of stochastic subsurface hydrology stemmed from the realization that the random spatial variability of aquifer properties has a profound impact on solute transport. The last four decades witnessed a tremendous expansion of the discipline, many fundamental processes and principal mechanisms being identified. However, the research findings have not impacted significantly the application in practice, for several reasons which are discussed. The paper discusses the current status of stochastic subsurface hydrology, the relevance of the scientific results for applications and it also provides a perspective to a few possible future directions. In particular, we discuss how the transfer of knowledge can be facilitated by identifying clear goals for characterization and modeling application, relying on recent recent advances in research in these areas.

Upscaling the Coupled Water and Heat Transport in the Shallow Subsurface

NASA Astrophysics Data System (ADS)

Sviercoski, R. F.; Efendiev, Y.; Mohanty, B. P.

2018-02-01

Predicting simultaneous movement of liquid water, water vapor, and heat in the shallow subsurface has many practical interests. The demand for multidimensional multiscale models for this region is important given: (a) the critical role that these processes play in the global water and energy balances, (b) that more data from air-borne and space-borne sensors are becoming available for parameterizations of modeling efforts. On the other hand, numerical models that consider spatial variations of the soil properties, termed here as multiscale, are prohibitively expensive. Thus, there is a need for upscaled models that take into consideration these features, and be computationally affordable. In this paper, a multidimensional multiscale model coupling the water flow and heat transfer and its respective upscaled version are proposed. The formulation is novel as it describes the multidimensional and multiscale tensorial versions of the hydraulic conductivity and the vapor diffusivity, taking into account the tortuosity and porosity properties of the medium. It also includes the coupling with the energy balance equation as a boundary describing atmospheric influences at the shallow subsurface. To demonstrate the accuracy of both models, comparisons were made between simulation and field experiments for soil moisture and temperature at 2, 7, and 12 cm deep, during 11 days. The root-mean-square errors showed that the upscaled version of the system captured the multiscale features with similar accuracy. Given the good matching between simulated and field data for near-surface soil temperature, the results suggest that it can be regarded as a 1-D variable.

Advances in Multiphase Flow and Transport in the Subsurface Environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Xiaoqing; Finsterle, Stefan; Zhang, Keni

Multiphase flow and transport processes in the subsurface environment are extremely important in a number of industrial and environmental applications at various spatial and temporal scales. Thus, it is necessary to identify, understand, and predict these processes to improve the production of conventional and unconventional oil and gas, to increase the safety of geological sequestration of carbon dioxide and nuclear waste disposal, and to make remediation of contaminated aquifers more effective.

Advances in Multiphase Flow and Transport in the Subsurface Environment

DOE PAGES

Shi, Xiaoqing; Finsterle, Stefan; Zhang, Keni; ...

2018-03-04

Multiphase flow and transport processes in the subsurface environment are extremely important in a number of industrial and environmental applications at various spatial and temporal scales. Thus, it is necessary to identify, understand, and predict these processes to improve the production of conventional and unconventional oil and gas, to increase the safety of geological sequestration of carbon dioxide and nuclear waste disposal, and to make remediation of contaminated aquifers more effective.

Stochastic collocation using Kronrod-Patterson-Hermite quadrature with moderate delay for subsurface flow and transport

NASA Astrophysics Data System (ADS)

Liao, Q.; Tchelepi, H.; Zhang, D.

2015-12-01

Uncertainty quantification aims at characterizing the impact of input parameters on the output responses and plays an important role in many areas including subsurface flow and transport. In this study, a sparse grid collocation approach, which uses a nested Kronrod-Patterson-Hermite quadrature rule with moderate delay for Gaussian random parameters, is proposed to quantify the uncertainty of model solutions. The conventional stochastic collocation method serves as a promising non-intrusive approach and has drawn a great deal of interests. The collocation points are usually chosen to be Gauss-Hermite quadrature nodes, which are naturally unnested. The Kronrod-Patterson-Hermite nodes are shown to be more efficient than the Gauss-Hermite nodes due to nestedness. We propose a Kronrod-Patterson-Hermite rule with moderate delay to further improve the performance. Our study demonstrates the effectiveness of the proposed method for uncertainty quantification through subsurface flow and transport examples.

Modeling Phosphorus Losses through Surface Runoff and Subsurface Drainage Using ICECREAM.

PubMed

Qi, Hongkai; Qi, Zhiming; Zhang, T Q; Tan, C S; Sadhukhan, Debasis

2018-03-01

Modeling soil phosphorus (P) losses by surface and subsurface flow pathways is essential in developing successful strategies for P pollution control. We used the ICECREAM model to simultaneously simulate P losses in surface and subsurface flow, as well as to assess effectiveness of field practices in reducing P losses. Monitoring data from a mineral-P-fertilized clay loam field in southwestern Ontario, Canada, were used for calibration and validation. After careful adjustment of model parameters, ICECREAM was shown to satisfactorily simulate all major processes of surface and subsurface P losses. When the calibrated model was used to assess tillage and fertilizer management scenarios, results point to a 10% reduction in total P losses by shifting autumn tillage to spring, and a 25.4% reduction in total P losses by injecting fertilizer rather than broadcasting. Although the ICECREAM model was effective in simulating surface and subsurface P losses when thoroughly calibrated, further testing is needed to confirm these results with manure P application. As illustrated here, successful use of simulation models requires careful verification of model routines and comprehensive calibration to ensure that site-specific processes are accurately represented. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Need to improve SWMM's subsurface flow routing algorithm for green infrastructure modeling

EPA Science Inventory

SWMM can simulate various subsurface flows, including groundwater (GW) release from a subcatchment to a node, percolation out of storage units and low impact development (LID) controls, and rainfall derived inflow and infiltration (RDII) at a node. Originally, the subsurface flow...

Transport of Organic Contaminants Mobilized from Coal through Sandstone Overlying a Geological Carbon Sequestration Reservoir

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Lirong; Cantrell, Kirk J.; Bacon, Diana H.

2014-02-01

Column experiments were conducted using a wetted sandstone rock installed in a tri-axial core holder to study the flow and transport of organic compounds mobilized by scCO2 under simulated geologic carbon storage (GCS) conditions. The sandstone rock was collected from a formation overlying a deep saline reservoir at a GCS demonstration site. Rock core effluent pressures were set at 0, 500, or 1000 psig and the core temperature was set at 20 or 50°C to simulate the transport to different subsurface depths. The concentrations of the organic compounds in the column effluent and their distribution within the sandstone core weremore » monitored. Results indicate that the mobility though the core sample was much higher for BTEX compounds than for naphthalene. Retention of organic compounds from the vapor phase to the core appeared to be primarily controlled by partitioning from the vapor phase to the aqueous phase. Adsorption to the surfaces of the wetted sandstone was also significant for naphthalene. Reduced temperature and elevated pressure resulted in greater partitioning of the mobilized organic contaminants into the water phase.« less

Assessment of Alternative Conceptual Models Using Reactive Transport Modeling with Monitoring Data

NASA Astrophysics Data System (ADS)

Dai, Z.; Price, V.; Heffner, D.; Hodges, R.; Temples, T.; Nicholson, T.

2005-12-01

Monitoring data proved very useful in evaluating alternative conceptual models, simulating contaminant transport behavior, and reducing uncertainty. A graded approach using three alternative conceptual site models was formulated to simulate a field case of tetrachloroethene (PCE) transport and biodegradation. These models ranged from simple to complex in their representation of subsurface heterogeneities. The simplest model was a single-layer homogeneous aquifer that employed an analytical reactive transport code, BIOCHLOR (Aziz et al., 1999). Due to over-simplification of the aquifer structure, this simulation could not reproduce the monitoring data. The second model consisted of a multi-layer conceptual model, in combination with numerical modules, MODFLOW and RT3D within GMS, to simulate flow and reactive transport. Although the simulation results from the second model were comparatively better than those from the simple model, they still did not adequately reproduce the monitoring well concentrations because the geological structures were still inadequately defined. Finally, a more realistic conceptual model was formulated that incorporated heterogeneities and geologic structures identified from well logs and seismic survey data using the Petra and PetraSeis software. This conceptual model included both a major channel and a younger channel that were detected in the PCE source area. In this model, these channels control the local ground-water flow direction and provide a preferential chemical transport pathway. Simulation results using this conceptual site model proved compatible with the monitoring concentration data. This study demonstrates that the bias and uncertainty from inadequate conceptual models are much larger than those introduced from an inadequate choice of model parameter values (Neuman and Wierenga, 2003; Meyer et al., 2004; Ye et al., 2004). This case study integrated conceptual and numerical models, based on interpreted local hydrogeologic and geochemical data, with detailed monitoring plume data. It provided key insights for confirming alternative conceptual site models and assessing the performance of monitoring networks. A monitoring strategy based on this graded approach for assessing alternative conceptual models can provide the technical bases for identifying critical monitoring locations, adequate monitoring frequency, and performance indicator parameters for performance monitoring involving ground-water levels and PCE concentrations.

Evaluation of the hydrological flow paths in a gravel bed filter modeling a horizontal subsurface flow wetland by using a multi-tracer experiment.

PubMed

Birkigt, Jan; Stumpp, Christine; Małoszewski, Piotr; Nijenhuis, Ivonne

2018-04-15

In recent years, constructed wetland systems have become into focus as means of cost-efficient organic contaminant management. Wetland systems provide a highly reactive environment in which several removal pathways of organic chemicals may be present at the same time; however, specific elimination processes and hydraulic conditions are usually separately investigated and thus not fully understood. The flow system in a three dimensional pilot-scale horizontal subsurface constructed wetland was investigated applying a multi-tracer test combined with a mathematical model to evaluate the flow and transport processes. The results indicate the existence of a multiple flow system with two distinct flow paths through the gravel bed and a preferential flow at the bottom transporting 68% of tracer mass resulting from the inflow design of the model wetland system. There the removal of main contaminant chlorobenzene was up to 52% based on different calculation approaches. Determined retention times in the range of 22d to 32.5d the wetland has a heterogeneous flow pattern. Differences between simulated and measured tracer concentrations in the upper sediment indicate diffusion dominated processes due to stagnant water zones. The tracer study combining experimental evaluation with mathematical modeling demonstrated the complexity of flow and transport processes in the constructed wetlands which need to be taken into account during interpretation of the determining attenuation processes. Copyright © 2017 Elsevier B.V. All rights reserved.

Exchange of Groundwater and Surface-Water Mediated by Permafrost Response to Seasonal and Long Term Air Temperature Variation

USGS Publications Warehouse

Ge, Shemin; McKenzie, Jeffrey; Voss, Clifford; Wu, Qingbai

2011-01-01

Permafrost dynamics impact hydrologic cycle processes by promoting or impeding groundwater and surface water exchange. Under seasonal and decadal air temperature variations, permafrost temperature changes control the exchanges between groundwater and surface water. A coupled heat transport and groundwater flow model, SUTRA, was modified to simulate groundwater flow and heat transport in the subsurface containing permafrost. The northern central Tibet Plateau was used as an example of model application. Modeling results show that in a yearly cycle, groundwater flow occurs in the active layer from May to October. Maximum groundwater discharge to the surface lags the maximum subsurface temperature by two months. Under an increasing air temperature scenario of 3?C per 100 years, over the initial 40-year period, the active layer thickness can increase by three-fold. Annual groundwater discharge to the surface can experience a similar three-fold increase in the same period. An implication of these modeling results is that with increased warming there will be more groundwater flow in the active layer and therefore increased groundwater discharge to rivers. However, this finding only holds if sufficient upgradient water is available to replenish the increased discharge. Otherwise, there will be an overall lowering of the water table in the recharge portion of the catchment.

PFLOTRAN-E4D: A parallel open source PFLOTRAN module for simulating time-lapse electrical resistivity data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Timothy C.; Hammond, Glenn E.; Chen, Xingyuan

Time-lapse electrical resistivity tomography (ERT) is finding increased application for remotely monitoring processes occurring in the near subsurface in three-dimensions (i.e. 4D monitoring). However, there are few codes capable of simulating the evolution of subsurface resistivity and corresponding tomographic measurements arising from a particular process, particularly in parallel and with an open source license. Herein we describe and demonstrate an electrical resistivity tomography module for the PFLOTRAN subsurface simulation code, named PFLOTRAN-E4D. The PFLOTRAN-E4D module operates in parallel using a dedicated set of compute cores in a master-slave configuration. At each time step, the master processes receives subsurface states frommore » PFLOTRAN, converts those states to bulk electrical conductivity, and instructs the slave processes to simulate a tomographic data set. The resulting multi-physics simulation capability enables accurate feasibility studies for ERT imaging, the identification of the ERT signatures that are unique to a given process, and facilitates the joint inversion of ERT data with hydrogeological data for subsurface characterization. PFLOTRAN-E4D is demonstrated herein using a field study of stage-driven groundwater/river water interaction ERT monitoring along the Columbia River, Washington, USA. Results demonstrate the complex nature of changes subsurface electrical conductivity, in both the saturated and unsaturated zones, arising from water table changes and from river water intrusion into the aquifer. The results also demonstrate the sensitivity of surface based ERT measurements to those changes over time. PFLOTRAN-E4D is available with the PFLOTRAN development version with an open-source license at https://bitbucket.org/pflotran/pflotran-dev .« less

Subsurface Characterization To Support Evaluation Of Radionuclide Transport And Attenuation

EPA Science Inventory

Remediation of ground water contaminated with radionuclides may be achieved using attenuation-based technologies. These technologies may rely on engineered processes (e.g., bioremediation) or natural processes (e.g., monitored natural attenuation) within the subsurface. In gene...

Flow pathways in the Slapton Wood catchment using temperature as a tracer

NASA Astrophysics Data System (ADS)

Birkinshaw, Stephen J.; Webb, Bruce

2010-03-01

SummaryThis study investigates the potential of temperature as a tracer to provide insights into flow pathways. The approach couples fieldwork and modelling experiments for the Eastergrounds Hollow within the Slapton Wood catchment, South Devon, UK. Measurements in the Eastergrounds Hollow were carried out for soil temperature, spring temperature, and the stream temperature and use was made of an existing 1989-1991 data set for the entire Slapton Wood catchment. The predominant flow in this hollow is a result of subsurface stormflow, and previous work has suggested that the water flows vertically down through the soil and then subsurface stormflow occurs at the soil/bedrock interface where the water is deflected laterally. The depth of the subsurface stormflow was previously thought to be around 2.2 m. However, analysis of the new spring, stream and soil temperature data suggests a deeper pathway for the subsurface stormflow. Modelling of water flow and heat transport was carried out using SHETRAN and this was calibrated to reproduce the water flow in the entire Slapton Wood catchment and soil temperatures in the Eastergrounds Hollow. The model was tested for the entire Eastergrounds Hollow with two different soil depths. A depth of 2.2 m, based on previous knowledge, was unable to reproduce the Eastergrounds spring temperature. A depth of 3.7 m produced an excellent comparison between measured and simulated stream and spring temperatures in the Eastergrounds Hollow. This work suggests that the depth of the flow pathways that produce the subsurface stormflow are deeper than previously thought. It also provides a demonstration on the use of temperature as a tracer to understand flow pathways.

Verification and benchmark testing of the NUFT computer code

NASA Astrophysics Data System (ADS)

Lee, K. H.; Nitao, J. J.; Kulshrestha, A.

1993-10-01

This interim report presents results of work completed in the ongoing verification and benchmark testing of the NUFT (Nonisothermal Unsaturated-saturated Flow and Transport) computer code. NUFT is a suite of multiphase, multicomponent models for numerical solution of thermal and isothermal flow and transport in porous media, with application to subsurface contaminant transport problems. The code simulates the coupled transport of heat, fluids, and chemical components, including volatile organic compounds. Grid systems may be cartesian or cylindrical, with one-, two-, or fully three-dimensional configurations possible. In this initial phase of testing, the NUFT code was used to solve seven one-dimensional unsaturated flow and heat transfer problems. Three verification and four benchmarking problems were solved. In the verification testing, excellent agreement was observed between NUFT results and the analytical or quasianalytical solutions. In the benchmark testing, results of code intercomparison were very satisfactory. From these testing results, it is concluded that the NUFT code is ready for application to field and laboratory problems similar to those addressed here. Multidimensional problems, including those dealing with chemical transport, will be addressed in a subsequent report.

Development of a General Conceptual-numerical Model to Simulate the Fate and Subsurface Transport of Explosives, and the Moisture and Temperature Signatures Around Land Mines

DTIC Science & Technology

2008-12-01

Šimůnek, J. W. Hopmans, and A. Tuli , Numerical evaluation of the heat pulse probe for simultaneous estimation of water fluxes and soil hydraulic and...America annual meeting, Agronomy Abstracts, published on a CD-ROM as abstract 132-2, ASA, Madison, 2006. Saito, H., J. Šimunek, A. Tuli and J. W...Abstracts, published on a CD-ROM as abstract 183-8, ASA, Madison, 2007. Tuli , A., T. Kamai, H. Saito, J. Hopmans, and J. Šimunek, Experimental and

Modifying WEPP to improve streamflow simulation in a Pacific Northwest watershed

Treesearch

A. Srivastava; M. Dobre; J. Q. Wu; W. J. Elliot; E. A. Bruner; S. Dun; E. S. Brooks; I. S. Miller

2013-01-01

The assessment of water yield from hillslopes into streams is critical in managing water supply and aquatic habitat. Streamflow is typically composed of surface runoff, subsurface lateral flow, and groundwater baseflow; baseflow sustains the stream during the dry season. The Water Erosion Prediction Project (WEPP) model simulates surface runoff, subsurface lateral flow...

The role of uplift and erosion in the persistence of saline groundwater in the shallow subsurface

NASA Astrophysics Data System (ADS)

Yager, R. M.; McCoy, K. J.; Voss, C. I.; Sanford, W. E.; Winston, R. B.

2017-04-01

In many regions of the world, the shallow (<300 m) subsurface is replenished with meteoric recharge within a few centuries or millennia, but in some regions saline groundwater persists despite abundant rainfall. Analyses of the flushing rate of shallow groundwater usually consider the permeability and recharge rate and a static landscape. The influence of landscape evolution can become important over millions of years, however. Here we present numerical simulations of fluid flow and transport in the top 1 km of a sedimentary foreland basin dominated by aquitards, where the rate of uplift and erosion (20 m Ma-1) balances that of meteoric flushing. Paleozoic age saline groundwater and brine persist at shallow depths that might otherwise have contained potable water. Similar hydrogeologic conditions, and uplift and erosion rates, likely exist in many other regions of the world, where a moving landscape has probably never been considered as an important contributor to groundwater quality.

The role of uplift and erosion in the persistence of saline groundwater in the shallow subsurface

USGS Publications Warehouse

Yager, Richard M.; McCoy, Kurt J.; Voss, Clifford I.; Sanford, Ward E.; Winston, Richard B.

2017-01-01

In many regions of the world, the shallow (<300 m) subsurface is replenished with meteoric recharge within a few centuries or millennia, but in some regions saline groundwater persists despite abundant rainfall. Analyses of the flushing rate of shallow groundwater usually consider the permeability and recharge rate and a static landscape. The influence of landscape evolution can become important over millions of years, however. Here we present numerical simulations of fluid flow and transport in the top 1 km of a sedimentary foreland basin dominated by aquitards, where the rate of uplift and erosion (20 m Ma−1) balances that of meteoric flushing. Paleozoic age saline groundwater and brine persist at shallow depths that might otherwise have contained potable water. Similar hydrogeologic conditions, and uplift and erosion rates, likely exist in many other regions of the world, where a moving landscape has probably never been considered as an important contributor to groundwater quality.

Optical and electronic properties of sub-surface conducting layers in diamond created by MeV B-implantation at elevated temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Willems van Beveren, L. H., E-mail: laurensw@unimelb.edu.au; Bowers, H.; Ganesan, K.

2016-06-14

Boron implantation with in-situ dynamic annealing is used to produce highly conductive sub-surface layers in type IIa (100) diamond plates for the search of a superconducting phase transition. Here, we demonstrate that high-fluence MeV ion-implantation, at elevated temperatures avoids graphitization and can be used to achieve doping densities of 6 at. %. In order to quantify the diamond crystal damage associated with implantation Raman spectroscopy was performed, demonstrating high temperature annealing recovers the lattice. Additionally, low-temperature electronic transport measurements show evidence of charge carrier densities close to the metal-insulator-transition. After electronic characterization, secondary ion mass spectrometry was performed to mapmore » out the ion profile of the implanted plates. The analysis shows close agreement with the simulated ion-profile assuming scaling factors that take into account an average change in diamond density due to device fabrication. Finally, the data show that boron diffusion is negligible during the high temperature annealing process.« less

Understanding Natural Gas Methane Leakage from Buried Pipelines as Affected by Soil and Atmospheric Conditions - Field Scale Experimental and Modeling Study

NASA Astrophysics Data System (ADS)

Smits, K. M.; Mitton, M.; Moradi, A.; Chamindu, D. K.

2017-12-01

Reducing the amount of leaked natural gas (NG) from pipelines from production to use has become a high priority in efforts to cut anthropogenic emissions of methane. In addition to environmental impacts, NG leakage can cause significant economic losses and safety failures such as fires and explosions. However, tracking and evaluating NG pipeline leaks requires a better understanding of the leak from the source to the detector as well as more robust quantification methods. Although recent measurement-based approaches continue to make progress towards this end, efforts are hampered due to the complexity of leakage scenarios. Sub- surface transport of leaked NG from pipelines occurs through complex transport pathways due to soil heterogeneities and changes in soil moisture. Furthermore, it is affected by variable atmospheric conditions such as winds, frontal passages and rain. To better understand fugitive emissions from NG pipelines, we developed a field scale testbed that simulates low pressure gas leaks from pipe buried in soil. The system is equipped with subsurface and surface sensors to continuously monitor changes in soil and atmospheric conditions (e.g. moisture, pressure, temperature) and methane concentrations. Using this testbed, we are currently conducting a series of gas leakage experiments to study of the impact of subsurface (e.g. soil moisture, heterogeneity) and atmospheric conditions (near-surface wind and temperature) on the detected gas signals and establish the relative importance of the many pathways for methane migration between the source and the sensor location. Accompanying numerical modeling of the system using the multiphase transport simulator TOUGH2-EOS7CA demonstrates the influence of leak location and direction on gas migration. These findings will better inform leak detectors of the leak severity before excavation, aiding with safety precautions and work order categorization for improved efficiency.

First-order exchange coefficient coupling for simulating surface water-groundwater interactions: Parameter sensitivity and consistency with a physics-based approach

USGS Publications Warehouse

Ebel, B.A.; Mirus, B.B.; Heppner, C.S.; VanderKwaak, J.E.; Loague, K.

2009-01-01

Distributed hydrologic models capable of simulating fully-coupled surface water and groundwater flow are increasingly used to examine problems in the hydrologic sciences. Several techniques are currently available to couple the surface and subsurface; the two most frequently employed approaches are first-order exchange coefficients (a.k.a., the surface conductance method) and enforced continuity of pressure and flux at the surface-subsurface boundary condition. The effort reported here examines the parameter sensitivity of simulated hydrologic response for the first-order exchange coefficients at a well-characterized field site using the fully coupled Integrated Hydrology Model (InHM). This investigation demonstrates that the first-order exchange coefficients can be selected such that the simulated hydrologic response is insensitive to the parameter choice, while simulation time is considerably reduced. Alternatively, the ability to choose a first-order exchange coefficient that intentionally decouples the surface and subsurface facilitates concept-development simulations to examine real-world situations where the surface-subsurface exchange is impaired. While the parameters comprising the first-order exchange coefficient cannot be directly estimated or measured, the insensitivity of the simulated flow system to these parameters (when chosen appropriately) combined with the ability to mimic actual physical processes suggests that the first-order exchange coefficient approach can be consistent with a physics-based framework. Copyright ?? 2009 John Wiley & Sons, Ltd.

Incorporating Water Boiling in the Numerical Modelling of Thermal Remediation by Electrical Resistance Heating

NASA Astrophysics Data System (ADS)

Molnar, I. L.; Krol, M.; Mumford, K. G.

2017-12-01

Developing numerical models for subsurface thermal remediation techniques - such as Electrical Resistive Heating (ERH) - that include multiphase processes such as in-situ water boiling, gas production and recovery has remained a significant challenge. These subsurface gas generation and recovery processes are driven by physical phenomena such as discrete and unstable gas (bubble) flow as well as water-gas phase mass transfer rates during bubble flow. Traditional approaches to multiphase flow modeling soil remain unable to accurately describe these phenomena. However, it has been demonstrated that Macroscopic Invasion Percolation (MIP) can successfully simulate discrete and unstable gas transport1. This has lead to the development of a coupled Electro Thermal-MIP Model2 (ET-MIP) capable of simulating multiple key processes in the thermal remediation and gas recovery process including: electrical heating of soil and groundwater, water flow, geological heterogeneity, heating-induced buoyant flow, water boiling, gas bubble generation and mobilization, contaminant mass transport and removal, and additional mechanisms such as bubble collapse in cooler regions. This study presents the first rigorous validation of a coupled ET-MIP model against two-dimensional water boiling and water/NAPL co-boiling experiments3. Once validated, the model was used to explore the impact of water and co-boiling events and subsequent gas generation and mobilization on ERH's ability to 1) generate, expand and mobilize gas at boiling and NAPL co-boiling temperatures, 2) efficiently strip contaminants from soil during both boiling and co-boiling. In addition, a quantification of the energy losses arising from steam generation during subsurface water boiling was examined with respect to its impact on the efficacy of thermal remediation. While this study specifically targets ERH, the study's focus on examining the fundamental mechanisms driving thermal remediation (e.g., water boiling) renders these results applicable to a wide range of thermal and gas-based remediation techniques. 1. Mumford, K. G., et al. (2010), Adv. Water Resour. 2010, 33 (4), 504-513. 2. Krol, M. M., et al. (2011), Adv. Water Resour. 2011, 34 (4), 537-549. 3. Hegele, P. R. and Mumford, K. G. Journal of Contaminant Hydrology 2014, 165, 24-36.

Ebullition, Plant-Mediated Transport, and Subsurface Horizontal Water Flow Dominate Methane Transport in an Arctic Sphagnum Bog

NASA Astrophysics Data System (ADS)

Wehr, R. A.; McCalley, C. K.; Logan, T. A.; Chanton, J.; Crill, P. M.; Rich, V. I.; Saleska, S. R.

2017-12-01

Emission of the greenhouse gas methane from wetlands is of prime concern in the prediction of climate change - especially emission associated with thawing permafrost, which may drive a positive feedback loop of emission and warming. In addition to the biochemistry of methane production and consumption, wetland methane emission depends critically on the transport mechanisms by which methane moves through and out of the ecosystem. We therefore developed a model of methane biochemistry and transport for a sphagnum bog representing an intermediate permafrost thaw stage in Stordalen Mire, Sweden. In order to simultaneously reproduce measured profiles of both the concentrations and isotopic compositions of both methane and carbon dioxide in the peat pore water (Fig. 1) - as well as the surface methane emission - it was necessary for the model to include ebullition, plant-mediated transport via aerenchyma, and subsurface horizontal water flow. Diffusion of gas through the pore water was relatively unimportant. As a result, 90% of the produced methane escaped the wetland rather than being consumed by methanotrophic organisms in the near-surface pore water. Our model provides a comprehensive picture of methane emission from this bog site by quantifying the vertical profiles of: acetoclastic methanogenesis, hydrogenotrophic methanogenesis, methane oxidation, aerobic respiration, ebullition, plant-mediated transport, subsurface horizontal water flow, and diffusion.

Numerical Simulation of nZVI at the Field Scale

NASA Astrophysics Data System (ADS)

Chowdhury, A. I.; Krol, M.; Sleep, B. E.; O'Carroll, D. M.

2014-12-01

Nano-scale zero valent iron (nZVI) has been used at a number of contaminated sites over the last decade. At most of these sites, significant decreases in contaminant concentrations have resulted from the application of nZVI. However, limited work has been completed investigating nZVI mobility at the field-scale. In this study a three dimensional, three phase, finite difference numerical simulator (CompSim) was used to simulate nZVI and polymer transport in a variably saturated site. The model was able to accurately predict the field observed head data without parameter fitting. In addition, the numerical simulator estimated the amount of nZVI delivered to the saturated and unsaturated zones as well as the phase of nZVI (i.e., attached or aqueous phase). The simulation results showed that the injected slurry migrated radially outward from the injection well, and therefore nZVI transport was governed by injection velocity as well as viscosity of the injected solution. A suite of sensitivity analyses was performed to investigate the impact of different injection scenarios (e.g. different volume and injection rate) on nZVI migration. Simulation results showed that injection of a higher volume of nZVI delivered more iron particles at a given distance; however, not necessarily to a greater distance proportionate to the increase in volume. This study suggests that on-site synthesized nZVI particles are mobile in the subsurface and the numerical simulator can be a valuable tool for optimum design of nZVI applications.

BIOPLUME MODEL FOR CONTAMINANT TRANSPORT AFFECTED BY OXYGEN LIMITED BIODEGRADATION

EPA Science Inventory

Many of the organic pollutants entering ground water are potentially biodegradable in the subsurface. This potential has been demonstrated in aquifers contaminated by wood-creosoting process wastes. The persistence of many of these organic compounds in the subsurface indicated ...

STUDIES OF INTERFACIAL REACTIONS BETWEEN ARSENIC AND MINERALS AND ITS SIGNIFICANCE TO SITE CHARACTERIZATION

EPA Science Inventory

Natural attenuation remediation is based on the intrinsic attenuation capacities of the subsurface. Geochemistry of the subsurface controls the fate, transport, transformation, and bioavailability of contaminants. This paper demonstrates that interfacial reactions (e.g., adsorp...

Sonar imaging of flooded subsurface voids phase I : proof of concept.

DOT National Transportation Integrated Search

2011-04-15

Damage to Ohio highways due to subsidence or collapse of subsurface voids is a serious problem : for the Office of Geotechnical Engineering (OGE) at the Ohio Department of Transportation : (ODOT). These voids have often resulted from past underground...

An analysis of a mixed convection associated with thermal heating in contaminated porous media.

PubMed

Krol, Magdalena M; Johnson, Richard L; Sleep, Brent E

2014-11-15

The occurrence of subsurface buoyant flow during thermal remediation was investigated using a two dimensional electro-thermal model (ETM). The model incorporated electrical current flow associated with electrical resistance heating, energy and mass transport, and density dependent water flow. The model was used to examine the effects of heating on sixteen subsurface scenarios with different applied groundwater fluxes and soil permeabilities. The results were analyzed in terms of the ratio of Rayleigh to thermal Peclet numbers (the buoyancy ratio). It was found that when the buoyancy number was greater than unity and the soil permeability greater than 10(-12) m(2), buoyant flow and contaminant transport were significant. The effects of low permeability layers and electrode placement on heat and mass transport were also investigated. Heating under a clay layer led to flow stagnation zones resulting in the accumulation of contaminant mass and transport into the low permeability layer. The results of this study can be used to develop dimensionless number-based guidelines for site management during subsurface thermal activities. Copyright © 2014 Elsevier B.V. All rights reserved.

Coupling among Microbial Communities, Biogeochemistry, and Mineralogy across Biogeochemical Facies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stegen, James C.; Konopka, Allan; McKinely, Jim

Physical properties of sediments are commonly used to define subsurface lithofacies and these same physical properties influence subsurface microbial communities. This suggests an (unexploited) opportunity to use the spatial distribution of facies to predict spatial variation in biogeochemically relevant microbial attributes. Here, we characterize three biogeochemical facies—oxidized, reduced, and transition—within one lithofacies and elucidate relationships among facies features and microbial community biomass, diversity, and community composition. Consistent with previous observations of biogeochemical hotspots at environmental transition zones, we find elevated biomass within a biogeochemical facies that occurred at the transition between oxidized and reduced biogeochemical facies. Microbial diversity—the number ofmore » microbial taxa—was lower within the reduced facies and was well-explained by a combination of pH and mineralogy. Null modeling revealed that microbial community composition was influenced by ecological selection imposed by redox state and mineralogy, possibly due to effects on nutrient availability or transport. As an illustrative case, we predict microbial biomass concentration across a three-dimensional spatial domain by coupling the spatial distribution of subsurface biogeochemical facies with biomass-facies relationships revealed here. We expect that merging such an approach with hydro-biogeochemical models will provide important constraints on simulated dynamics, thereby reducing uncertainty in model predictions.« less

Geophysical monitoring and reactive transport modeling of ureolytically-driven calcium carbonate precipitation

PubMed Central

2011-01-01

Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH4+ production during urea hydrolysis were incorporated in the model and captured critical changes in the major metal species. The electrical phase increases were potentially due to ion exchange processes that modified charge structure at mineral/water interfaces. Our study revealed the potential of geophysical monitoring for geochemical changes during urea hydrolysis and the advantages of combining multiple approaches to understand complex biogeochemical processes in the subsurface. PMID:21943229

Reinterpretation of Mariner 9 IRIS data on the basis of a simulation of radiative-conductive convective transfer in the dust laden Martian atmosphere

NASA Technical Reports Server (NTRS)

Pallman, A. J.

1974-01-01

Time dependent vertical distributions of atmospheric temperature and static stability were determined by a radiative-convective-conductive heat transfer model attuned to Mariner 9 IRIS radiance data. Of particular interest were conditions of both the dust-laden and dust-free atmosphere in the middle latitudes on Mars during the late S.H. summer season. The numerical model simulates at high spatial and temporal resolution (52 atmospheric and 30 subsurface levels; with a time-step of 7.5 min.) the heat transports in the ground-atmosphere system. The algorithm is based on the solution of the appropriate heating rate equation which includes radiative, molecular-conductive and convective heat transfer terms. Ground and atmosphere are coupled by an internal thermal boundary condition.

Diffusional Transport of Organic Solutes in Subsurface Clay Lenses and Layers

NASA Astrophysics Data System (ADS)

Demond, A. H.; Ayral, D.; Goltz, M. N.

2009-12-01

The storage of organic solvents in clay lenses and layers in the subsurface creates long-term contaminant sources. Because of the low hydraulic conductivities of clay, it is thought that organic movement into clay lenses occurs through the process of diffusion. The ratio of the effective diffusion coefficient in the porous medium and the diffusion coefficient in bulk water is usually given by the tortuosity factor which accounts for the reduced area and the increased path length in the porous medium. However, there is field evidence which suggests that the concentrations in these lenses exceed that which can be accounted for by simple diffusion. There are reports, for example, of tortuosity factors greater than 1.0, which theoretically is not possible. Clays such as montmorillonite or bentonite shrink and swell depending on water content, and similar behavior can occur in the presence of organic solvents. In fact, research has shown that the basal spacing of bentonite can decrease by 50% when permeated with heptane. Such contraction of the clay structure can lead to the formation of cracks and macropores, with a concomitant alteration of the diffusional pathways that solutes follow. Models formulated for diffusional transport in soil are available to calculate the tortuosity factor as a function of water content. In addition, models are available to simulate phenomena in which the diffusion coefficient is concentration dependent. However, calculations of diffusional transport using such models show that they may not adequately reflect the impact of the alteration of the clay structure. However, modeling the transport of organic solutes in clay as a dual-domain system with some minimal advective transport in macropores can yield tortuosity factors greater than 1.0. Thus, it appears the cracking of clay in contact with organic solvents and a resultant advective component to transport of the solute may be an explanation of field observations.

Climate change impacts on the temperature and magnitude of groundwater discharge from shallow, unconfined aquifers

USGS Publications Warehouse

Kurylyk, Barret L.; MacQuarrie, Kerry T.B; Voss, Clifford I.

2014-01-01

Cold groundwater discharge to streams and rivers can provide critical thermal refuge for threatened salmonids and other aquatic species during warm summer periods. Climate change may influence groundwater temperature and flow rates, which may in turn impact riverine ecosystems. This study evaluates the potential impact of climate change on the timing, magnitude, and temperature of groundwater discharge from small, unconfined aquifers that undergo seasonal freezing and thawing. Seven downscaled climate scenarios for 2046–2065 were utilized to drive surficial water and energy balance models (HELP3 and ForHyM2) to obtain future projections for daily ground surface temperature and groundwater recharge. These future surface conditions were then applied as boundary conditions to drive subsurface simulations of variably saturated groundwater flow and energy transport. The subsurface simulations were performed with the U.S. Geological Survey finite element model SUTRA that was recently modified to include the dynamic freeze-thaw process. The SUTRA simulations indicate a potential rise in the magnitude (up to 34%) and temperature (up to 3.6°C) of groundwater discharge to the adjacent river during the summer months due to projected increases in air temperature and precipitation. The thermal response of groundwater to climate change is shown to be strongly dependent on the aquifer dimensions. Thus, the simulations demonstrate that the thermal sensitivity of aquifers and baseflow-dominated streams to decadal climate change may be more complex than previously thought. Furthermore, the results indicate that the probability of exceeding critical temperature thresholds within groundwater-sourced thermal refugia may significantly increase under the most extreme climate scenarios.

Sensitivity analyses of a colloid-facilitated contaminant transport model for unsaturated heterogeneous soil conditions.

NASA Astrophysics Data System (ADS)

Périard, Yann; José Gumiere, Silvio; Rousseau, Alain N.; Caron, Jean

2013-04-01

Certain contaminants may travel faster through soils when they are sorbed to subsurface colloidal particles. Indeed, subsurface colloids may act as carriers of some contaminants accelerating their translocation through the soil into the water table. This phenomenon is known as colloid-facilitated contaminant transport. It plays a significant role in contaminant transport in soils and has been recognized as a source of groundwater contamination. From a mechanistic point of view, the attachment/detachment of the colloidal particles from the soil matrix or from the air-water interface and the straining process may modify the hydraulic properties of the porous media. Šimůnek et al. (2006) developed a model that can simulate the colloid-facilitated contaminant transport in variably saturated porous media. The model is based on the solution of a modified advection-dispersion equation that accounts for several processes, namely: straining, exclusion and attachement/detachement kinetics of colloids through the soil matrix. The solutions of these governing, partial differential equations are obtained using a standard Galerkin-type, linear finite element scheme, implemented in the HYDRUS-2D/3D software (Šimůnek et al., 2012). Modeling colloid transport through the soil and the interaction of colloids with the soil matrix and other contaminants is complex and requires the characterization of many model parameters. In practice, it is very difficult to assess actual transport parameter values, so they are often calibrated. However, before calibration, one needs to know which parameters have the greatest impact on output variables. This kind of information can be obtained through a sensitivity analysis of the model. The main objective of this work is to perform local and global sensitivity analyses of the colloid-facilitated contaminant transport module of HYDRUS. Sensitivity analysis was performed in two steps: (i) we applied a screening method based on Morris' elementary effects and the one-at-a-time approach (O.A.T); and (ii), we applied Sobol's global sensitivity analysis method which is based on variance decompositions. Results illustrate that ψm (maximum sorption rate of mobile colloids), kdmc (solute desorption rate from mobile colloids), and Ks (saturated hydraulic conductivity) are the most sensitive parameters with respect to the contaminant travel time. The analyses indicate that this new module is able to simulate the colloid-facilitated contaminant transport. However, validations under laboratory conditions are needed to confirm the occurrence of the colloid transport phenomenon and to understand model prediction under non-saturated soil conditions. Future work will involve monitoring of the colloidal transport phenomenon through soil column experiments. The anticipated outcome will provide valuable information on the understanding of the dominant mechanisms responsible for colloidal transports, colloid-facilitated contaminant transport and, also, the colloid detachment/deposition processes impacts on soil hydraulic properties. References: Šimůnek, J., C. He, L. Pang, & S. A. Bradford, Colloid-Facilitated Solute Transport in Variably Saturated Porous Media: Numerical Model and Experimental Verification, Vadose Zone Journal, 2006, 5, 1035-1047 Šimůnek, J., M. Šejna, & M. Th. van Genuchten, The C-Ride Module for HYDRUS (2D/3D) Simulating Two-Dimensional Colloid-Facilitated Solute Transport in Variably-Saturated Porous Media, Version 1.0, PC Progress, Prague, Czech Republic, 45 pp., 2012.

Numerical study of wave effects on groundwater flow and solute transport in a laboratory beach.

PubMed

Geng, Xiaolong; Boufadel, Michel C; Xia, Yuqiang; Li, Hailong; Zhao, Lin; Jackson, Nancy L; Miller, Richard S

2014-09-01

A numerical study was undertaken to investigate the effects of waves on groundwater flow and associated inland-released solute transport based on tracer experiments in a laboratory beach. The MARUN model was used to simulate the density-dependent groundwater flow and subsurface solute transport in the saturated and unsaturated regions of the beach subjected to waves. The Computational Fluid Dynamics (CFD) software, Fluent, was used to simulate waves, which were the seaward boundary condition for MARUN. A no-wave case was also simulated for comparison. Simulation results matched the observed water table and concentration at numerous locations. The results revealed that waves generated seawater-groundwater circulations in the swash and surf zones of the beach, which induced a large seawater-groundwater exchange across the beach face. In comparison to the no-wave case, waves significantly increased the residence time and spreading of inland-applied solutes in the beach. Waves also altered solute pathways and shifted the solute discharge zone further seaward. Residence Time Maps (RTM) revealed that the wave-induced residence time of the inland-applied solutes was largest near the solute exit zone to the sea. Sensitivity analyses suggested that the change in the permeability in the beach altered solute transport properties in a nonlinear way. Due to the slow movement of solutes in the unsaturated zone, the mass of the solute in the unsaturated zone, which reached up to 10% of the total mass in some cases, constituted a continuous slow release of solutes to the saturated zone of the beach. This means of control was not addressed in prior studies. Copyright © 2014 Elsevier B.V. All rights reserved.

Migration of conservative and sorbing radionuclides in heterogeneous fractured rock aquifers at the Nevada Test Site

NASA Astrophysics Data System (ADS)

Boryta, J. R.; Wolfsberg, A. V.

2003-12-01

The Nevada Test Site (NTS) is the United States continental nuclear weapons testing site. The larger underground tests, including BENHAM and TYBO, were conducted at Pahute Mesa. The BENHAM test, conducted in 1968, was detonated 1.4 km below the surface and the TYBO test, conducted in 1975, was detonated at a depth of 765 m. Between 1996 and 1998, several radionuclides were discovered in trace concentrations in a monitoring well complex 273 m from TYBO and 1300 m from BENHAM. Previous studies associated with these measurements have focused primarily on a) plutonium discovered in the observation wells, which was identified through isotopic finger printing as originating at BENHAM, b) colloid-facilitated plutonium transport processes, and c) vertical convection in subsurface nuclear test collapse chimneys. In addition to plutonium, several other non-, weakly-, and strongly-sorbing radionuclides were discovered in trace concentrations in the observation wells, including tritium, carbon-14, chlorine-36, iodine-129, technetium-99, neptunium-237, strontium-90, cesium-137, americium-241, and europium-152,154,155. The range in retardation processes affecting these different radionuclides provides additional information for assessing groundwater solute transport model formulations. For all radionuclides, simulation results are most sensitive to the fracture porosity and fracture aperture. Additionally, for weakly sorbing Np, simulation results are highly sensitive to the matrix sorption coefficient. For strongly sorbing species, migration in the absence of colloids can only be simulated if fracture apertures are set very large, reducing the amount of diffusion that can occur. For these species, colloid-facilitated transport appears to be a more likely explanation for the measurements. This is corroborated with colloid-transport model simulations.

Effects of Droplet Size on Intrusion of Sub-Surface Oil Spills

NASA Astrophysics Data System (ADS)

Adams, Eric; Chan, Godine; Wang, Dayang

2014-11-01

We explore effects of droplet size on droplet intrusion and transport in sub-surface oil spills. Negatively buoyant glass beads released continuously to a stratified ambient simulate oil droplets in a rising multiphase plume, and distributions of settled beads are used to infer signatures of surfacing oil. Initial tests used quiescent conditions, while ongoing tests simulate currents by towing the source and a bottom sled. Without current, deposited beads have a Gaussian distribution, with variance increasing with decreasing particle size. Distributions agree with a model assuming first order particle loss from an intrusion layer of constant thickness, and empirically determined flow rate. With current, deposited beads display a parabolic distribution similar to that expected from a source in uniform flow; we are currently comparing observed distributions with similar analytical models. Because chemical dispersants have been used to reduce oil droplet size, our study provides one measure of their effectiveness. Results are applied to conditions from the `Deep Spill' field experiment, and the recent Deepwater Horizon oil spill, and are being used to provide ``inner boundary conditions'' for subsequent far field modeling of these events. This research was made possible by grants from Chevron Energy Technology Co., through the Chevron-MITEI University Partnership Program, and BP/The Gulf of Mexico Research Initiative, GISR.

UBIQUITOUS SOLAR ERUPTIONS DRIVEN BY MAGNETIZED VORTEX TUBES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kitiashvili, I. N.; Kosovichev, A. G.; Lele, S. K.

2013-06-10

The solar surface is covered by high-speed jets transporting mass and energy into the solar corona and feeding the solar wind. The most prominent of these jets have been known as spicules. However, the mechanism initiating these eruption events is still unknown. Using realistic numerical simulations we find that small-scale eruptions are produced by ubiquitous magnetized vortex tubes generated by the Sun's turbulent convection in subsurface layers. The swirling vortex tubes (resembling tornadoes) penetrate into the solar atmosphere, capture and stretch background magnetic field, and push the surrounding material up, generating shocks. Our simulations reveal complicated high-speed flow patterns andmore » thermodynamic and magnetic structure in the erupting vortex tubes. The main new results are: (1) the eruptions are initiated in the subsurface layers and are driven by high-pressure gradients in the subphotosphere and photosphere and by the Lorentz force in the higher atmosphere layers; (2) the fluctuations in the vortex tubes penetrating into the chromosphere are quasi-periodic with a characteristic period of 2-5 minutes; and (3) the eruptions are highly non-uniform: the flows are predominantly downward in the vortex tube cores and upward in their surroundings; the plasma density and temperature vary significantly across the eruptions.« less

Sonar imaging of flooded subsurface voids phase I : proof of concept : executive summary report.

DOT National Transportation Integrated Search

2011-04-15

Damage to Ohio highways due to subsidence : or collapse of subsurface voids is a serious : problem for the Ohio Department of : Transportation (ODOT). These voids have : often resulted from past underground mining : activities for coal, clay, limesto...

Environmental Remediation

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

2017-04-11

At Pacific Northwest National Laboratory, we are a leader in subsurface science and remediation. We use our expertise in these areas to characterize subsurface contaminants and assess contaminant transport. We're also using our capabilities to restore the Hanford Site in southeastern Washington State to a safe, clean environment.

A multi-scale experimental and simulation approach for fractured subsurface systems

NASA Astrophysics Data System (ADS)

Viswanathan, H. S.; Carey, J. W.; Frash, L.; Karra, S.; Hyman, J.; Kang, Q.; Rougier, E.; Srinivasan, G.

2017-12-01

Fractured systems play an important role in numerous subsurface applications including hydraulic fracturing, carbon sequestration, geothermal energy and underground nuclear test detection. Fractures that range in scale from microns to meters and their structure control the behavior of these systems which provide over 85% of our energy and 50% of US drinking water. Determining the key mechanisms in subsurface fractured systems has been impeded due to the lack of sophisticated experimental methods to measure fracture aperture and connectivity, multiphase permeability, and chemical exchange capacities at the high temperature, pressure, and stresses present in the subsurface. In this study, we developed and use microfluidic and triaxial core flood experiments required to reveal the fundamental dynamics of fracture-fluid interactions. In addition we have developed high fidelity fracture propagation and discrete fracture network flow models to simulate these fractured systems. We also have developed reduced order models of these fracture simulators in order to conduct uncertainty quantification for these systems. We demonstrate an integrated experimental/modeling approach that allows for a comprehensive characterization of fractured systems and develop models that can be used to optimize the reservoir operating conditions over a range of subsurface conditions.

Mars Analog Rio Tinto Experiment (MARTE): 2003 Drilling Campaign to Search for a Subsurface Biosphere at Rio Tinto Spain

NASA Astrophysics Data System (ADS)

Stoker, C.; Dunagan, S.; Stevens, T.; Amils, R.; Gómez-Elvira, J.; Fernández, D.; Hall, J.; Lynch, K.; Cannon, H.; Zavaleta, J.; Glass, B.; Lemke, L.

2004-03-01

The results of an drilling experiment to search for a subsurface biosphere in a pyritic mineral deposit at Rio Tinto, Spain, are described. The experiment provides ground truth for a simulation of a Mars drilling mission to search for subsurface life.

Effect of subsurface heterogeneity on free-product recovery from unconfined aquifers

NASA Astrophysics Data System (ADS)

Kaluarachchi, Jagath J.

1996-03-01

Free-product record system designs for light-hydrocarbon-contaminated sites were investigated to evaluate the effects of subsurface heterogeneity using a vertically integrated three-phase flow model. The input stochastic variable of the areal flow analysis was the log-intrinsic permeability and it was generated using the Turning Band method. The results of a series of hypothetical field-scale simulations showed that subsurface heterogeneity has a substantial effect on free-product recovery predictions. As the heterogeneity increased, the recoverable oil volume decreased and the residual trapped oil volume increased. As the subsurface anisotropy increased, these effects together with free- and total-oil contaminated areas were further enhanced. The use of multiple-stage water pumping was found to be insignificant compared to steady uniform pumping due to reduced recovery efficiency and increased residual oil volume. This observation was opposite to that produced under homogeneous scenarios. The effect of subsurface heterogeneity was enhanced at relatively low water pumping rates. The difference in results produced by homogeneous and heterogeneous simulations was substantial, indicating greater attention should be paid in modeling free-product recovery systems with appropriate subsurface heterogeneity.

Biogeochemical Role of Subsurface Coherent Eddies in the Ocean: Tracer Cannonballs, Hypoxic Storms, and Microbial Stewpots?

NASA Astrophysics Data System (ADS)

Frenger, Ivy; Bianchi, Daniele; Stührenberg, Carolin; Oschlies, Andreas; Dunne, John; Deutsch, Curtis; Galbraith, Eric; Schütte, Florian

2018-02-01

Subsurface eddies are known features of ocean circulation, but the sparsity of observations prevents an assessment of their importance for biogeochemistry. Here we use a global eddying (0.1°) ocean-biogeochemical model to carry out a census of subsurface coherent eddies originating from eastern boundary upwelling systems (EBUS) and quantify their biogeochemical effects as they propagate westward into the subtropical gyres. While most eddies exist for a few months, moving over distances of hundreds of kilometers, a small fraction (<5%) of long-lived eddies propagates over distances greater than 1,000 km, carrying the oxygen-poor and nutrient-rich signature of EBUS into the gyre interiors. In the Pacific, transport by subsurface coherent eddies accounts for roughly 10% of the offshore transport of oxygen and nutrients in pycnocline waters. This "leakage" of subsurface waters can be a significant fraction of the transport by nutrient-rich poleward undercurrents and may contribute to the well-known reduction of productivity by eddies in EBUS. Furthermore, at the density layer of their cores, eddies decrease climatological oxygen locally by close to 10%, thereby expanding oxygen minimum zones. Finally, eddies represent low-oxygen extreme events in otherwise oxygenated waters, increasing the area of hypoxic waters by several percent and producing dramatic short-term changes that may play an important ecological role. Capturing these nonlocal effects in global climate models, which typically include noneddying oceans, would require dedicated parameterizations.

Actinobacterial diversity across a marine transgression in the deep subsurface off Shimokita Peninsula, Japan

NASA Astrophysics Data System (ADS)

Harrison, B. K.; Bailey, J. V.

2013-12-01

Sediment horizons represent a significant - but not permanent - barrier to microbial transport. Cells commonly attach to mineral surfaces in unconsolidated sediments. However, by taxis, growth, or passive migration under advecting fluids, some portion of the microbial community may transgress sedimentary boundaries. Few studies have attempted to constrain such transport of community signatures in the marine subsurface and its potential impact on biogeography. Integrated Ocean Drilling Program (IODP) Expedition 337 off the Shimokita Peninsula recovered sediments over a greater than 1km interval representing a gradual decrease of terrestrial influence, from tidal to continental shelf depositional settings. This sequence represents a key opportunity to link subsurface microbial communities to lithological variability and investigate the permanence of community signatures characteristic of distinct depositional regimes. The phylogenetic connectivity between marine and terrestrially-influenced deposits may demonstrate to what degree sediments offer a substantial barrier to cell transport in the subsurface. Previous work has demonstrated that the Actinobacterial phylum is broadly distributed in marine sediments (Maldonado et al., 2005), present and active in the deep subsurface (Orsi et al., 2013), and that marine and terrestrial lineages may potentially be distinguished by 16S rRNA gene sequencing (e.g. Prieto-Davó et al., 2013). We report on Actinobacteria-specific 16S rRNA gene diversity recovered between 1370 and 2642 mbsf with high-throughput sequencing using the Illumina MiSeq platform, as well as selective assembly and analysis of environmental clone libraries.

A Laboratory Approach Relating Complex Resistivity Observations to Flow and Transport in Saturated and Unsaturated Hydrologic Regimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martins, S A; Daily, W D; Ramirez, A L

2002-01-31

Subsurface imaging technology, such as electric resistance tomography (ERT), is rapidly improving as a means for characterizing some soil properties of the near-surface hydrologic regime. While this information can be potentially useful in developing hydrologic models of the subsurface that are required for contaminant transport investigations, an image alone of the subsurface soil regime gives little or no information about how the site will respond to groundwater flow or contaminant transport. In fact, there is some question that tomographic imaging of soils alone can even provide meaningful values of hydraulic properties, such as the permeability structure, which is critical tomore » estimates of contaminant transport at a site. The main objective of this feasibility study was to initiate research on electrical imaging not just as a way to characterize the soil structure by mapping different soil types at a site but as a means of obtaining quantitative information about how a site will respond hydrologically to an infiltration event. To this end, a scaled system of electrode arrays was constructed that simulates the subsurface electrode distribution used at the LLNL Vadose Zone Observatory (VZO) where subsurface imaging of infiltration events has been investigated for several years. The electrode system was immersed in a 10,000-gallon tank to evaluate the fundamental relationship between ERT images and targets of a given volume that approximate infiltration-induced conductivity anomalies. With LDRD funds we have explored what can be initially learned about porous flow and transport using two important electrical imaging methods--electric resistance tomography (ERT) and electric impedance tomography (EIT). These tomographic methods involve passing currents (DC or AC) between two electrodes within or between electrode arrays while measuring the electric potential at the remaining electrodes. With the aid of a computer-based numerical inversion scheme, the potentials are used to solve for the electrical conductivity distribution in the region bounded by the electrode arrays. Groundwater movement resulting from a leak or surface spill will produce measurable conductivity changes that have been imaged using ERT or EIT. The kind of laboratory scale experiments supported by this work will help us to better understand the connection between imaged conductivity anomalies and the groundwater or contaminant flow that causes them. This work will also help to demonstrate the feasibility or value of doing lab experiments in imaging that can be applied to interpreting field-scale experiments. A secondary objective of this study was to initiate a collaboration with researchers at the Rensselaer Polytechnic Institute (RPI; Troyl NY) who are also participants in the newly created NSF Center for Subsurface Imaging and Sensing Systems (CenSSIS) which is managed in part by RPI. During the course of this study C.R. Carrigan and W. Daily visited the electromagnetic imaging lab at RPI to initiate discussions on subsurface imaging technology with Professors David Isaacson, Jon Newell, Gary Salunier and their research graduate students. A major goal of CenSSIS is to promote collaborations among researchers with imaging backgrounds in different disciplines (geosciences, biomedical, civil engineering and biomedical) that will lead to new solutions of common subsurface imaging problems. The geophysical test section constructed for this study included electrode arrays that resemble biomedical array distributions. Comparing images of the same target produced with the 4-array geophysical approach and with the biomedical imaging approach will help us to better understand differences and advantages that are characteristic of the two imaging methods. Our initial interactions with the researchers at RPI concluded that this was a viable problem to consider. The support for this subsequent research will come from a 3-year Office of Basic Energy Sciences (BES) proposal that has just received funding. This feasibility study contributed positively to the successful review and ultimately to the award of this BES funding. A letter (Appendix) from Professor Michael Silevitch, Director of CenSSIS, to Dr. Rokaya Al-Ayat, Director of the LLNL Science & Technology Office, acknowledges the contribution of this LDRD study to obtaining the Basic Energy Science grant that will fund further work in this area.« less

Impact of atmospheric forcing on heat content variability in the sub-surface layer in the Japan/East Sea, 1948-2009

NASA Astrophysics Data System (ADS)

Stepanov, Dmitry; Gusev, Anatoly; Diansky, Nikolay

2016-04-01

Based on numerical simulations the study investigates impact of atmospheric forcing on heat content variability of the sub-surface layer in Japan/East Sea (JES), 1948-2009. We developed a model configuration based on a INMOM model and atmospheric forcing extracted from the CORE phase II experiment dataset 1948-2009, which enables to assess impact of only atmospheric forcing on heat content variability of the sub-surface layer of the JES. An analysis of kinetic energy (KE) and total heat content (THC) in the JES obtained from our numerical simulations showed that the simulated circulation of the JES is being quasi-steady state. It was found that the year-mean KE variations obtained from our numerical simulations are similar those extracted from the SODA reanalysis. Comparison of the simulated THC and that extracted from the SODA reanalysis showed significant consistence between them. An analysis of numerical simulations showed that the simulated circulation structure is very similar that obtained from the PALACE floats in the intermediate and abyssal layers in the JES. Using empirical orthogonal function analysis we studied spatial-temporal variability of the heat content of the sub-surface layer in the JES. Based on comparison of the simulated heat content variations with those obtained from natural observations an assessment of the atmospheric forcing impact on the heat content variability was obtained. Using singular value decomposition analysis we considered relationships between the heat content variability and wind stress curl as well as sensible heat flux in winter. It was established the major role of sensible heat flux in decadal variability of the heat content of the sub-surface layer in the JES. The research was supported by the Russian Foundation for Basic Research (grant N 14-05-00255) and the Council on the Russian Federation President Grants (grant N MK-3241.2015.5)

Ice-Shelf Melt Response to Changing Winds and Glacier Dynamics in the Amundsen Sea Sector, Antarctica

NASA Astrophysics Data System (ADS)

Donat-Magnin, Marion; Jourdain, Nicolas C.; Spence, Paul; Le Sommer, Julien; Gallée, Hubert; Durand, Gaël.

2017-12-01

It has been suggested that the coastal Southern Ocean subsurface may warm over the 21st century in response to strengthening and poleward shifting winds, with potential adverse effects on West Antarctic glaciers. However, using a 1/12° ocean regional model that includes ice-shelf cavities, we find a more complex response to changing winds in the Amundsen Sea. Simulated offshore subsurface waters get colder under strengthened and poleward shifted winds representative of the SAM projected trend. The buoyancy-driven circulation induced by ice-shelf melt transports this cold offshore anomaly onto the continental shelf, leading to cooling and decreased melt below 450 m. In the vicinity of ice-shelf fronts, Ekman pumping contributes to raise the isotherms in response to changing winds. This effect overwhelms the horizontal transport of colder offshore waters at intermediate depths (between 200 and 450 m), and therefore increases melt rates in the upper part of the ice-shelf cavities, which reinforces the buoyancy-driven circulation and further contributes to raise the isotherms. Then, prescribing an extreme grounding line retreat projected for 2100, the total melt rates simulated underneath Thwaites and Pine Island are multiplied by 2.5. Such increase is explained by a larger ocean/ice interface exposed to CDW, which is then amplified by a stronger melt-induced circulation along the ice draft. Our main conclusions are that (1) outputs from ocean models that do not represent ice shelf cavities (e.g., CMIP5 models) should not be directly used to predict the thermal forcing of future ice shelf cavities; (2) coupled ocean/ice sheet models with a velocity-dependent melt formulation are needed for future projections of glaciers experiencing a significant grounding line retreat.

Recovery Act: Web-based CO{sub 2} Subsurface Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paolini, Christopher; Castillo, Jose

2012-11-30

The Web-based CO{sub 2} Subsurface Modeling project focused primarily on extending an existing text-only, command-line driven, isothermal and isobaric, geochemical reaction-transport simulation code, developed and donated by Sienna Geodynamics, into an easier-to-use Web-based application for simulating long-term storage of CO{sub 2} in geologic reservoirs. The Web-based interface developed through this project, publically accessible via URL http://symc.sdsu.edu/, enables rapid prototyping of CO{sub 2} injection scenarios and allows students without advanced knowledge of geochemistry to setup a typical sequestration scenario, invoke a simulation, analyze results, and then vary one or more problem parameters and quickly re-run a simulation to answer what-if questions.more » symc.sdsu.edu has 2x12 core AMD Opteron™ 6174 2.20GHz processors and 16GB RAM. The Web-based application was used to develop a new computational science course at San Diego State University, COMP 670: Numerical Simulation of CO{sub 2} Sequestration, which was taught during the fall semester of 2012. The purpose of the class was to introduce graduate students to Carbon Capture, Use and Storage (CCUS) through numerical modeling and simulation, and to teach students how to interpret simulation results to make predictions about long-term CO{sub 2} storage capacity in deep brine reservoirs. In addition to the training and education component of the project, significant software development efforts took place. Two computational science doctoral and one geological science masters student, under the direction of the PIs, extended the original code developed by Sienna Geodynamics, named Sym.8. New capabilities were added to Sym.8 to simulate non-isothermal and non-isobaric flows of charged aqueous solutes in porous media, in addition to incorporating HPC support into the code for execution on many-core XSEDE clusters. A successful outcome of this project was the funding and training of three new computational science students and one geological science student in technologies relevant to carbon sequestration and problems involving flow in subsurface media. The three computational science students are currently finishing their doctorial studies on different aspects of modeling CO{sub 2} sequestration, while the geological science student completed his master’s thesis in modeling the thermal response of CO{sub 2} injection in brine and, as a direct result of participation in this project, is now employed at ExxonMobil as a full-time staff geologist.« less

Reactive-transport simulation of phosphorus in the sewage plume at the Massachusetts Military Reservation, Cape Cod, Massachusetts

USGS Publications Warehouse

Parkhurst, David L.; Stollenwerk, Kenneth G.; Colman, John A.

2003-01-01

The subsurface transport of phosphorus introduced by the disposal of treated sewage effluent to ground-infiltration disposal beds at the Massachusetts Military Reservation on western Cape Cod was simulated with a three-dimensional reactive-transport model. The simulations were used to estimate the load of phosphorus transported to Ashumet Pond during operation of the sewage-treatment plant?from 1936 to 1995?and for 60 years following cessation of sewage disposal. The model accounted for spatial and temporal changes in water discharge from the sewage-treatment plant, ground-water flow, transport of associated chemical constituents, and a set of chemical reactions, including phosphorus sorption on aquifer materials, dissolution and precipitation of iron- and manganese-oxyhydroxide and iron phosphate minerals, organic carbon sorption and decomposition, cation sorption, and irreversible denitrification. The flow and transport in the aquifer were simulated by using parameters consistent with those used in previous flow models of this area of Cape Cod, except that numerical dispersion was much larger than the physical dispersion estimated in previous studies. Sorption parameters were fit to data derived from phosphorus sorption and desorption laboratory column experiments. Rates of organic carbon decomposition were adjusted to match the location of iron concentrations in an anoxic iron zone within the sewage plume. The sensitivity of the simulated load of phosphorus transported to Ashumet Pond was calculated for a variety of processes and input parameters. Model limitations included large uncertainties associated with the loading of the sewage beds, the flow system, and the chemistry and sorption characteristics in the aquifer. The results of current model simulations indicate a small load of phosphorus transported to Ashumet Pond during 1965?85, but this small load was particularly sensitive to model parameters that specify flow conditions and the chemical process by which non-desorbable phosphorus is incorporated in the sediments. The uncertainties were large enough to make it difficult to determine whether loads of phosphorus transported to Ashumet Pond in the 1990s were greater or less than loads during the previous two decades. The model simulations indicate substantial discharge of phosphorus to Ashumet Pond after about 1965. After the period 2000?10 the simulations indicate that the load of phosphorus transported to Ashumet Pond decreases continuously, but the load of phosphorus remains substantial for many decades. The current simulations indicate a peak in phosphorus discharge to Ashumet Pond of about 1,000 kilograms per year during the 1990s; however, comparisons of simulated phosphorus concentrations with measured concentrations in 1993 indicate that the peak in phosphorus load transported to Ashumet Pond may be larger and moving more quickly in the model simulations than in the aquifer. The results of the three-dimensional reactive-transport simulations are consistent with the loading history, experimental laboratory data, and field measurements. The results of the simulations adequately reproduce the spatial distribution of phosphorus concentrations measured in 1993, the magnitude of changes in phosphorus concentration with time in a profile near the disposal beds following cessation of sewage disposal, the observed iron zone in the sewage plume, the approximate flow of treated sewage effluent into Ashumet Valley, and laboratory-column data for phosphorus sorption and desorption.

Computational Evaluation of Mg–Salen Compounds as Subsurface Fluid Tracers: Molecular Dynamics Simulations in Toluene–Water Mixtures and Clay Mineral Nanopores

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greathouse, Jeffery A.; Boyle, Timothy J.; Kemp, Richard A.

Molecular tracers that can be selectively placed underground and uniquely identified at the surface using simple on-site spectroscopic methods would significantly enhance subsurface fluid monitoring capabilities. To ensure their widespread utility, the solubility of these tracers must be easily tuned to oil- or water-wet conditions as well as reducing or eliminating their propensity to adsorb onto subsurface rock and/or mineral phases. In this work, molecular dynamics simulations were used to investigate the relative solubilities and mineral surface adsorption properties of three candidate tracer compounds comprising Mg–salen derivatives of varying degrees of hydrophilic character. Simulations in water–toluene liquid mixtures indicate thatmore » the partitioning of each Mg–salen compound relative to the interface is strongly influenced by the degree of hydrophobicity of the compound. Simulations of these complexes in fluid-filled mineral nanopores containing neutral (kaolinite) and negatively charged (montmorillonite) mineral surfaces reveal that adsorption tendencies depend upon a variety of parameters, including tracer chemical properties, mineral surface type, and solvent type (water or toluene). Simulation snapshots and averaged density profiles reveal insight into the solvation and adsorption mechanisms that control the partitioning of these complexes in mixed liquid phases and nanopore environments. As a result, this work demonstrates the utility of molecular simulation in the design and screening of molecular tracers for use in subsurface applications.« less

Computational Evaluation of Mg–Salen Compounds as Subsurface Fluid Tracers: Molecular Dynamics Simulations in Toluene–Water Mixtures and Clay Mineral Nanopores

DOE PAGES

Greathouse, Jeffery A.; Boyle, Timothy J.; Kemp, Richard A.

2018-04-11

Molecular tracers that can be selectively placed underground and uniquely identified at the surface using simple on-site spectroscopic methods would significantly enhance subsurface fluid monitoring capabilities. To ensure their widespread utility, the solubility of these tracers must be easily tuned to oil- or water-wet conditions as well as reducing or eliminating their propensity to adsorb onto subsurface rock and/or mineral phases. In this work, molecular dynamics simulations were used to investigate the relative solubilities and mineral surface adsorption properties of three candidate tracer compounds comprising Mg–salen derivatives of varying degrees of hydrophilic character. Simulations in water–toluene liquid mixtures indicate thatmore » the partitioning of each Mg–salen compound relative to the interface is strongly influenced by the degree of hydrophobicity of the compound. Simulations of these complexes in fluid-filled mineral nanopores containing neutral (kaolinite) and negatively charged (montmorillonite) mineral surfaces reveal that adsorption tendencies depend upon a variety of parameters, including tracer chemical properties, mineral surface type, and solvent type (water or toluene). Simulation snapshots and averaged density profiles reveal insight into the solvation and adsorption mechanisms that control the partitioning of these complexes in mixed liquid phases and nanopore environments. As a result, this work demonstrates the utility of molecular simulation in the design and screening of molecular tracers for use in subsurface applications.« less

MODELING MULTIPHASE ORGANIC CHEMICAL TRANSPORT IN SOILS AND GROUND WATER

EPA Science Inventory

Subsurface contamination due to immiscible organic liquids is a widespread problem which poses a serious threat to ground-water resources. n order to understand the movement of such materials in the subsurface, a mathematical model was developed for multiphase flow and multicompo...

Tillage impact on herbicide loss by surface runoff and lateral subsurface flow

USDA-ARS?s Scientific Manuscript database

There is worldwide interest in conservation tillage practices because they can reduce surface runoff, agrichemical, and sediment loss from farm fields. Since these practices typically increase infiltration, their use may increase subsurface transport of water-soluble contaminants. Thus, to assess lo...

Towards a new method for modeling multicomponent, multiphase flow and transport in porous media

NASA Astrophysics Data System (ADS)

Kong, X. Z.; Schaedle, P.; Leal, A. M. M.; Saar, M. O.

2016-12-01

The ability to computationally simulate multiphase-multicomponent fluid flow, coupled with geochemical reactions between fluid species and rock minerals, in porous and/or fractured subsurface systems is of major importance to a vast number of applications. These include (1) carbon dioxide storage in geologic formations, (2) geothermal energy extraction, (3) combinations of the latter two applications during CO2-Plume Geothermal energy extraction, (4) waste fluid and waste storage, as well as (5) groundwater and contaminant transport. Modeling these systems with such a wide variety of coupled physical and chemical processes is both challenging and computationally expensive. In this work we present a new approach to develop a simulator for multicomponent-multiphase flow and reactive transport in porous media by using state of the art numerical tools, namely FEniCS (fenicsproject.org) and Reaktoro (reaktoro.org). The governing partial differential equations for fluid flow and transport are solved using FEniCS, which enables fast and efficient implementation of computer codes for the simulation of complex physical phenomena using finite element methods on unstructured meshes. FEniCS supports a wide range of finite element schemes of special interest to porous media flow. In addition, FEniCS interfaces with many sparse linear solvers and provides convenient tools for adaptive mesh refinement and the capability of massively parallel calculations. A fundamental component of our contribution is the coupling of our FEniCS based flow and transport solver with our chemical reaction simulator, Reaktoro, which implements efficient, robust, and accurate methods for chemical equilibrium and kinetics calculations at every node of the mesh, at every time step. These numerical methods for reaction modeling have been especially developed for performance-critical applications such as reactive transport modeling. Furthermore, Reaktoro is also used for the calculation of thermodynamic properties of rock minerals and fluids. The proposed simulator can, however, be coupled with other back-ends for the calculation of both thermodynamic and thermophysical properties of rock minerals and fluids. We present several example applications of our new approach, demonstrating its capabilities and computation speed.

[Correlation of substrate structure and hydraulic characteristics in subsurface flow constructed wetlands].

PubMed

Bai, Shao-Yuan; Song, Zhi-Xin; Ding, Yan-Li; You, Shao-Hong; He, Shan

2014-02-01

The correlation of substrate structure and hydraulic characteristics was studied by numerical simulation combined with experimental method. The numerical simulation results showed that the permeability coefficient of matrix had a great influence on hydraulic efficiency in subsurface flow constructed wetlands. The filler with a high permeability coefficient had a worse flow field distribution in the constructed wetland with single layer structure. The layered substrate structure with the filler permeability coefficient increased from surface to bottom could avoid the short-circuited flow and dead-zones, and thus, increased the hydraulic efficiency. Two parallel pilot-scale constructed wetlands were built according to the numerical simulation results, and tracer experiments were conducted to validate the simulation results. The tracer experiment result showed that hydraulic characteristics in the layered constructed wetland were obviously better than that in the single layer system, and the substrate effective utilization rates were 0.87 and 0.49, respectively. It was appeared that numerical simulation would be favorable for substrate structure optimization in subsurface flow constructed wetlands.

Microbial-sized, carboxylate-modified microspheres as surrogate tracers in a variety of subsurface environments: An overview

USGS Publications Warehouse

Harvey, Ronald W.; Metge, David W.; LeBlanc, Denis R.

2017-01-01

Since 1986, fluorescent carboxylate-modified polystyrene/latex microspheres (FCM) have been co-injected into aquifers along with conservative tracers and viruses, bacteria, and (or) protozoa. Use of FCM has resulted in new information about subsurface transport behaviors of microorganisms in fractured crystalline rock, karst limestone, soils, and granular aquifers. FCM have been used as surrogates for oocysts of the pathogenic protist Cryptosporidium parvum in karst limestone and granular drinking-water aquifers. The advantages of FCM in subsurface transport studies are that they are safe in tracer applications, negatively charged, easy to detect, chemically inert, and available in wide range of sizes. The limitations of FCM are that the quantities needed for some field transport studies can be prohibitively expensive and that their surface characteristics may not match the microorganisms of interest. These limitations may be ameliorated, in part by using chemically modified FCM so that their surface characteristics are a better match to that of the organisms. Also, more sensitive methods of detection may allow using smaller quantities of FCM. To assess how the transport behaviors of FCM and pathogens might compare at the field scale, it is helpful to conduct side-by-side comparisons of their transport behaviors using the geologic media and site-specific conditions that characterize the field site.

Module-oriented modeling of reactive transport with HYTEC

NASA Astrophysics Data System (ADS)

van der Lee, Jan; De Windt, Laurent; Lagneau, Vincent; Goblet, Patrick

2003-04-01

The paper introduces HYTEC, a coupled reactive transport code currently used for groundwater pollution studies, safety assessment of nuclear waste disposals, geochemical studies and interpretation of laboratory column experiments. Based on a known permeability field, HYTEC evaluates the groundwater flow paths, and simulates the migration of mobile matter (ions, organics, colloids) subject to geochemical reactions. The code forms part of a module-oriented structure which facilitates maintenance and improves coding flexibility. In particular, using the geochemical module CHESS as a common denominator for several reactive transport models significantly facilitates the development of new geochemical features which become automatically available to all models. A first example shows how the model can be used to assess migration of uranium from a sub-surface source under the effect of an oxidation front. The model also accounts for alteration of hydrodynamic parameters (local porosity, permeability) due to precipitation and dissolution of mineral phases, which potentially modifies the migration properties in general. The second example illustrates this feature.

Tracer transport in soils and shallow groundwater: model abstraction with modern tools

USDA-ARS?s Scientific Manuscript database

Vadose zone controls contaminant transport from the surface to groundwater, and modeling transport in vadose zone has become a burgeoning field. Exceedingly complex models of subsurface contaminant transport are often inefficient. Model abstraction is the methodology for reducing the complexity of a...

THERMO-HYDRO-MECHANICAL MODELING OF WORKING FLUID INJECTION AND THERMAL ENERGY EXTRACTION IN EGS FRACTURES AND ROCK MATRIX

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robert Podgorney; Chuan Lu; Hai Huang

2012-01-01

Development of enhanced geothermal systems (EGS) will require creation of a reservoir of sufficient volume to enable commercial-scale heat transfer from the reservoir rocks to the working fluid. A key assumption associated with reservoir creation/stimulation is that sufficient rock volumes can be hydraulically fractured via both tensile and shear failure, and more importantly by reactivation of naturally existing fractures (by shearing), to create the reservoir. The advancement of EGS greatly depends on our understanding of the dynamics of the intimately coupled rock-fracture-fluid-heat system and our ability to reliably predict how reservoirs behave under stimulation and production. Reliable performance predictions ofmore » EGS reservoirs require accurate and robust modeling for strongly coupled thermal-hydrological-mechanical (THM) processes. Conventionally, these types of problems have been solved using operator-splitting methods, usually by coupling a subsurface flow and heat transport simulators with a solid mechanics simulator via input files. An alternative approach is to solve the system of nonlinear partial differential equations that govern multiphase fluid flow, heat transport, and rock mechanics simultaneously, using a fully coupled, fully implicit solution procedure, in which all solution variables (pressure, enthalpy, and rock displacement fields) are solved simultaneously. This paper describes numerical simulations used to investigate the poro- and thermal- elastic effects of working fluid injection and thermal energy extraction on the properties of the fractures and rock matrix of a hypothetical EGS reservoir, using a novel simulation software FALCON (Podgorney et al., 2011), a finite element based simulator solving fully coupled multiphase fluid flow, heat transport, rock deformation, and fracturing using a global implicit approach. Investigations are also conducted on how these poro- and thermal-elastic effects are related to fracture permeability evolution.« less

Numerical simulation of in-situ chemical oxidation (ISCO) and biodegradation of petroleum hydrocarbons using a coupled model for bio-geochemical reactive transport

NASA Astrophysics Data System (ADS)

Marin, I. S.; Molson, J. W.

2013-05-01

Petroleum hydrocarbons (PHCs) are a major source of groundwater contamination, being a worldwide and well-known problem. Formed by a complex mixture of hundreds of organic compounds (including BTEX - benzene, toluene, ethylbenzene and xylenes), many of which are toxic and persistent in the subsurface and are capable of creating a serious risk to human health. Several remediation technologies can be used to clean-up PHC contamination. In-situ chemical oxidation (ISCO) and intrinsic bioremediation (IBR) are two promising techniques that can be applied in this case. However, the interaction of these processes with the background aquifer geochemistry and the design of an efficient treatment presents a challenge. Here we show the development and application of BIONAPL/Phreeqc, a modeling tool capable of simulating groundwater flow, contaminant transport with coupled biological and geochemical processes in porous or fractured porous media. BIONAPL/Phreeqc is based on the well-tested BIONAPL/3D model, using a powerful finite element simulation engine, capable of simulating non-aqueous phase liquid (NAPL) dissolution, density-dependent advective-dispersive transport, and solving the geochemical and kinetic processes with the library Phreeqc. To validate the model, we compared BIONAPL/Phreeqc with results from the literature for different biodegradation processes and different geometries, with good agreement. We then used the model to simulate the behavior of sodium persulfate (NaS2O8) as an oxidant for BTEX degradation, coupled with sequential biodegradation in a 2D case and to evaluate the effect of inorganic geochemistry reactions. The results show the advantages of a treatment train remediation scheme based on ISCO and IBR. The numerical performance and stability of the integrated BIONAPL/Phreeqc model was also verified.

Vadose Zone Fate and Transport Simulation of Chemicals Associated with Coal Seam Gas Extraction

NASA Astrophysics Data System (ADS)

Simunek, J.; Mallants, D.; Jacques, D.; Van Genuchten, M.

2017-12-01

The HYDRUS-1D and HYDRUS (2D/3D) computer software packages are widely used finite element models for simulating the one-, and two- or three-dimensional movement of water, heat, and multiple solutes in variably-saturated media, respectively. While the standard HYDRUS models consider only the fate and transport of individual solutes or solutes subject to first-order degradation reactions, several specialized HYDRUS add-on modules can simulate far more complex biogeochemical processes. The objective of this presentation is to provide an overview of the HYDRUS models and their add-on modules, and to demonstrate applications of the software to the subsurface fate and transport of chemicals involved in coal seam gas extraction and water management operations. One application uses the standard HYDRUS model to evaluate the natural soil attenuation potential of hydraulic fracturing chemicals and their transformation products in case of an accidental release. By coupling the processes of retardation, first-order degradation and convective-dispersive transport of the biocide bronopol and its degradation products, we demonstrated how natural attenuation reduces initial concentrations by more than a factor of hundred in the top 5 cm of the vadose zone. A second application uses the UnsatChem module to explore the possible use of coal seam gas produced water for sustainable irrigation. Simulations with different irrigation waters (untreated, amended with surface water, and reverse osmosis treated) provided detailed results regarding chemical indicators of soil and plant health, notably SAR, EC and sodium concentrations. A third application uses the coupled HYDRUS-PHREEQC module to analyze trace metal transport involving cation exchange and surface complexation sorption reactions in the vadose zone leached with coal seam gas produced water following some accidental water release scenario. Results show that the main process responsible for trace metal migration is complexation of naturally present trace metals with inorganic ligands such as (bi)carbonate that enter the soil upon infiltration with alkaline produced water.

Numerical simulations of the impact of seasonal heat storage on source zone emission in a TCE contaminated aquifer

NASA Astrophysics Data System (ADS)

Popp, Steffi; Beyer, Christof; Dahmke, Andreas; Bauer, Sebastian

2016-04-01

In urban regions, with high population densities and heat demand, seasonal high temperature heat storage in the shallow subsurface represents an attractive and efficient option for a sustainable heat supply. In fact, the major fraction of energy consumed in German households is used for room heating and hot water production. Especially in urbanized areas, however, the installation of high temperature heat storage systems is currently restricted due to concerns on negative influences on groundwater quality caused e.g. by possible interactions between heat storages and subsurface contaminants, which are a common problem in the urban subsurface. Detailed studies on the overall impact of the operation of high temperature heat storages on groundwater quality are scarce. Therefore, this work investigates possible interactions between groundwater temperature changes induced by heat storage via borehole heat exchangers and subsurface contaminations by numerical scenario analysis. For the simulation of non-isothermal groundwater flow, and reactive transport processes the OpenGeoSys code is used. A 2D horizontal cross section of a shallow groundwater aquifer is assumed in the simulated scenario, consisting of a sandy sediment typical for Northern Germany. Within the aquifer a residual trichloroethene (TCE) contaminant source zone is present. Temperature changes are induced by a seasonal heat storage placed within the aquifer with scenarios of maximum temperatures of 20°C, 40°C and 60°C, respectively, during heat injection and minimum temperatures of 2°C during heat extraction. In the scenario analysis also the location of the heat storage relative to the TCE source zone and plume was modified. Simulations were performed in a homogeneous aquifer as well as in a set of heterogeneous aquifers with hydraulic conductivity as spatially correlated random fields. In both cases, results show that the temperature increase in the heat plume and the consequential reduction of water viscosity lead to locally increased groundwater flow. Depending on the positioning of the heat storage relative to the TCE contamination, groundwater fluxes hence may be induced to increase within or partially bypass the TCE source zone. At the same time, TCE solubility decreases between 10 and 40 °C, which reduces TCE emission and almost compensates for the effects of a temperature induced increase of groundwater flow through the source zone. In total, the numerical simulations thus show only minor influences of the heat plume on the TCE emission compared to a thermally undisturbed aquifer. Acknowledgments: This work is part of the ANGUS+ project (www.angusplus.de) and funded by the German Federal Ministry of Education and Research (BMBF) as part of the energy storage initiative "Energiespeicher".

Detecting seasonal variations of soil parameters via field measurements and stochastic simulations in the hillslope

NASA Astrophysics Data System (ADS)

Noh, Seong Jin; An, Hyunuk; Kim, Sanghyun

2015-04-01

Soil moisture, a critical factor in hydrologic systems, plays a key role in synthesizing interactions among soil, climate, hydrological response, solute transport and ecosystem dynamics. The spatial and temporal distribution of soil moisture at a hillslope scale is essential for understanding hillslope runoff generation processes. In this study, we implement Monte Carlo simulations in the hillslope scale using a three-dimensional surface-subsurface integrated model (3D model). Numerical simulations are compared with multiple soil moistures which had been measured using TDR(Mini_TRASE) for 22 locations in 2 or 3 depths during a whole year at a hillslope (area: 2100 square meters) located in Bongsunsa Watershed, South Korea. In stochastic simulations via Monte Carlo, uncertainty of the soil parameters and input forcing are considered and model ensembles showing good performance are selected separately for several seasonal periods. The presentation will be focused on the characterization of seasonal variations of model parameters based on simulations with field measurements. In addition, structural limitations of the contemporary modeling method will be discussed.

Quantifying uncertainty and computational complexity for pore-scale simulations

NASA Astrophysics Data System (ADS)

Chen, C.; Yuan, Z.; Wang, P.; Yang, X.; Zhenyan, L.

2016-12-01

Pore-scale simulation is an essential tool to understand the complex physical process in many environmental problems, from multi-phase flow in the subsurface to fuel cells. However, in practice, factors such as sample heterogeneity, data sparsity and in general, our insufficient knowledge of the underlying process, render many simulation parameters and hence the prediction results uncertain. Meanwhile, most pore-scale simulations (in particular, direct numerical simulation) incur high computational cost due to finely-resolved spatio-temporal scales, which further limits our data/samples collection. To address those challenges, we propose a novel framework based on the general polynomial chaos (gPC) and build a surrogate model representing the essential features of the underlying system. To be specific, we apply the novel framework to analyze the uncertainties of the system behavior based on a series of pore-scale numerical experiments, such as flow and reactive transport in 2D heterogeneous porous media and 3D packed beds. Comparing with recent pore-scale uncertainty quantification studies using Monte Carlo techniques, our new framework requires fewer number of realizations and hence considerably reduce the overall computational cost, while maintaining the desired accuracy.

MOBILIZATION AND CHARACTERIZATION OF COLLOIDS GENERATED FROM CEMENT LEACHATES MOVING THROUGH A SRS SANDY SEDIMENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, D.; Roberts, K.; Kaplan, D.

Naturally occurring mobile colloids are ubiquitous and are involved in many important processes in the subsurface zone. For example, colloid generation and subsequent mobilization represent a possible mechanism for the transport of contaminants including radionuclides in the subsurface environments. For colloid-facilitated transport to be significant, three criteria must be met: (1) colloids must be generated; (2) contaminants must associate with the colloids preferentially to the immobile solid phase (aquifer); and (3) colloids must be transported through the groundwater or in subsurface environments - once these colloids start moving they become 'mobile colloids'. Although some experimental investigations of particle release inmore » natural porous media have been conducted, the detailed mechanisms of release and re-deposition of colloidal particles within natural porous media are poorly understood. Even though this vector of transport is known, the extent of its importance is not known yet. Colloid-facilitated transport of trace radionuclides has been observed in the field, thus demonstrating a possible radiological risk associated with the colloids. The objective of this study was to determine if cementitious leachate would promote the in situ mobilization of natural colloidal particles from a SRS sandy sediment. The intent was to determine whether cementitious surface or subsurface structure would create plumes that could produce conditions conducive to sediment dispersion and mobile colloid generation. Column studies were conducted and the cation chemistries of influents and effluents were analyzed by ICP-OES, while the mobilized colloids were characterized using XRD, SEM, EDX, PSD and Zeta potential. The mobilization mechanisms of colloids in a SRS sandy sediment by cement leachates were studied.« less

The subsurface geology of Río Tinto: material examined during a simulated Mars drilling mission for the Mars Astrobiology Research and Technology Experiment (MARTE).

PubMed

Prieto-Ballesteros, Olga; Martínez-Frías, Jesús; Schutt, John; Sutter, Brad; Heldmann, Jennifer L; Bell, Mary Sue; Battler, Melissa; Cannon, Howard; Gómez-Elvira, Javier; Stoker, Carol R

2008-10-01

The 2005 Mars Astrobiology Research and Technology Experiment (MARTE) project conducted a simulated 1-month Mars drilling mission in the Río Tinto district, Spain. Dry robotic drilling, core sampling, and biological and geological analytical technologies were collectively tested for the first time for potential use on Mars. Drilling and subsurface sampling and analytical technologies are being explored for Mars because the subsurface is the most likely place to find life on Mars. The objectives of this work are to describe drilling, sampling, and analytical procedures; present the geological analysis of core and borehole material; and examine lessons learned from the drilling simulation. Drilling occurred at an undisclosed location, causing the science team to rely only on mission data for geological and biological interpretations. Core and borehole imaging was used for micromorphological analysis of rock, targeting rock for biological analysis, and making decisions regarding the next day's drilling operations. Drilling reached 606 cm depth into poorly consolidated gossan that allowed only 35% of core recovery and contributed to borehole wall failure during drilling. Core material containing any indication of biology was sampled and analyzed in more detail for its confirmation. Despite the poorly consolidated nature of the subsurface gossan, dry drilling was able to retrieve useful core material for geological and biological analysis. Lessons learned from this drilling simulation can guide the development of dry drilling and subsurface geological and biological analytical technologies for future Mars drilling missions.

The Subsurface Geology of Río Tinto: Material Examined During a Simulated Mars Drilling Mission for the Mars Astrobiology Research and Technology Experiment (MARTE)

NASA Astrophysics Data System (ADS)

Prieto-Ballesteros, Olga; Martínez-Frías, Jesús; Schutt, John; Sutter, Brad; Heldmann, Jennifer L.; Bell Johnson, Mary Sue; Battler, Melissa; Cannon, Howard; Gómez-Elvira, Javier; Stoker, Carol R.

2008-10-01

The 2005 Mars Astrobiology Research and Technology Experiment (MARTE) project conducted a simulated 1-month Mars drilling mission in the Río Tinto district, Spain. Dry robotic drilling, core sampling, and biological and geological analytical technologies were collectively tested for the first time for potential use on Mars. Drilling and subsurface sampling and analytical technologies are being explored for Mars because the subsurface is the most likely place to find life on Mars. The objectives of this work are to describe drilling, sampling, and analytical procedures; present the geological analysis of core and borehole material; and examine lessons learned from the drilling simulation. Drilling occurred at an undis closed location, causing the science team to rely only on mission data for geological and biological interpretations. Core and borehole imaging was used for micromorphological analysis of rock, targeting rock for biological analysis, and making decisions regarding the next day's drilling operations. Drilling reached 606 cm depth into poorly consolidated gossan that allowed only 35% of core recovery and contributed to borehole wall failure during drilling. Core material containing any indication of biology was sampled and analyzed in more detail for its confirmation. Despite the poorly consolidated nature of the subsurface gossan, dry drilling was able to retrieve useful core material for geological and biological analysis. Lessons learned from this drilling simulation can guide the development of dry drilling and subsurface geological and biological analytical technologies for future Mars drilling missions.

Ground Water Issue. BASIC CONCEPTS OF CONTAMINANT SORPTION AT HAZARDOUS WASTE SITES

EPA Science Inventory

One of the major issues of concern to the Regional Superfund Ground Water Forum is the transport and fate of contaminants in soil and ground water as related to subsurface remediation. Processes which influence the behavior of contaminants in the subsurface must be considered bot...

Quantification of the Mass Transfer at Fluid Interfaces in Microfluidic Channels

NASA Astrophysics Data System (ADS)

Wismeth, Carina; Manhart, Michael; Niessner, Reinhard; Baumann, Thomas

2017-04-01

Mass transfer rates at interfaces in a complex porous media are relevant in many environmental applications and control the functions of natural filter systems in subsurface environments. The mass transfer at fluid interfaces is associated with interface convection caused by local inhomogeneities in interface tension and hydrodynamic instabilities at the interface. If there is a surface tension gradient along the surface a shear stress jump is generated that results in fluid motion along the surface that is called Marangoni effect. These spontaneous convection currents can lead to an increased mass transfer of the transition component at the phase boundary and to an increased mixing of the phases. Therefore compensatory currents at the interface can have a significant influence on the subsurface transport of contaminants in the groundwater area, especially in the vadose zone. Using microfluidic channels and advanced experimental techniques it is possible to measure the fluid flow and mass transfer rates directly and to quantify the effect of the Marangoni convection on the mass transfer at interfaces between a non-aqueous liquid and water with high temporal and spatial resolution. The use of fluorescent particles as well as the recording and analysis of their trajectories is intended to visualize interfacial processes and to quantify the mass transfer at fluid phase boundaries. Concentration gradients at the interface are analysed by spectroscopic methods and allow an assessment of the enrichment and depletion at the phase boundaries. Extensive test series provide the experimental basis for quantifying and analysing the impact of the Marangoni effect on the mass transfer rates at interfaces in porous media in subsurface aquatic environments. Within this research project we concentrate on the effect of Marangoni convection on the mass transfer near an 1-octanol-water interface, which serves as a well defined proxy for non-aqueous phase liquids in porous media. Experiments and a numerical simulation are closely coupled to provide a generic data set with high reproducibility and used to obtain highly resolved three-dimensional data of mass transfer in two- and three-phase systems to foster the understanding of subsurface transport, especially in the vadose zone.

Detachment of particulate iron sulfide during shale-water interaction

NASA Astrophysics Data System (ADS)

Emmanuel, S.; Kreisserman, Y.

2017-12-01

Hydraulic fracturing, a commonly used technique to extract oil and gas from shales, is controversial in part because of the threat it poses to water resources. The technique involves the injection into the subsurface of large amounts of fluid, which can become contaminated by fluid-rock interaction. The dissolution of pyrite is thought to be a primary pathway for the contamination of fracturing fluids with toxic elements, such as arsenic and lead. In this study, we use direct observations with atomic force microscopy to show that the dissolution of carbonate minerals in Eagle Ford shale leads to the physical detachment of embedded pyrite grains. To simulate the way fluid interacts with a fractured shale surface, we also reacted rock samples in a flow-through cell, and used environmental scanning electron microscopy to compare the surfaces before and after interaction with water. Crucially, our results show that the flux of particulate iron sulfide into the fluid may be orders of magnitude higher than the flux of pyrite from chemical dissolution. This result suggests that mechanical detachment of pyrite grains could be the dominant mode by which arsenic and other inorganic elements are mobilized in the subsurface. Thus, during hydraulic fracturing operations and in groundwater systems containing pyrite, the transport of many toxic species may be controlled by the transport of colloidal iron sulfide particles.

Detection of Noble Gas Radionuclides from an Underground Nuclear Explosion During a CTBT On-Site Inspection

NASA Astrophysics Data System (ADS)

Carrigan, Charles R.; Sun, Yunwei

2014-03-01

The development of a technically sound approach to detecting the subsurface release of noble gas radionuclides is a critical component of the on-site inspection (OSI) protocol under the Comprehensive Nuclear Test Ban Treaty. In this context, we are investigating a variety of technical challenges that have a significant bearing on policy development and technical guidance regarding the detection of noble gases and the creation of a technically justifiable OSI concept of operation. The work focuses on optimizing the ability to capture radioactive noble gases subject to the constraints of possible OSI scenarios. This focus results from recognizing the difficulty of detecting gas releases in geologic environments—a lesson we learned previously from the non-proliferation experiment (NPE). Most of our evaluations of a sampling or transport issue necessarily involve computer simulations. This is partly due to the lack of OSI-relevant field data, such as that provided by the NPE, and partly a result of the ability of computer-based models to test a range of geologic and atmospheric scenarios far beyond what could ever be studied by field experiments, making this approach very highly cost effective. We review some highlights of the transport and sampling issues we have investigated and complete the discussion of these issues with a description of a preliminary design for subsurface sampling that addresses some of the sampling challenges discussed here.

Exchange of groundwater and surface-water mediated by permafrost response to seasonal and long term air temperature variation

USGS Publications Warehouse

Ge, S.; McKenzie, J.; Voss, C.; Wu, Q.

2011-01-01

Permafrost dynamics impact hydrologic cycle processes by promoting or impeding groundwater and surface water exchange. Under seasonal and decadal air temperature variations, permafrost temperature changes control the exchanges between groundwater and surface water. A coupled heat transport and groundwater flow model, SUTRA, was modified to simulate groundwater flow and heat transport in the subsurface containing permafrost. The northern central Tibet Plateau was used as an example of model application. Modeling results show that in a yearly cycle, groundwater flow occurs in the active layer from May to October. Maximum groundwater discharge to the surface lags the maximum subsurface temperature by two months. Under an increasing air temperature scenario of 3C per 100 years, over the initial 40-year period, the active layer thickness can increase by three-fold. Annual groundwater discharge to the surface can experience a similar three-fold increase in the same period. An implication of these modeling results is that with increased warming there will be more groundwater flow in the active layer and therefore increased groundwater discharge to rivers. However, this finding only holds if sufficient upgradient water is available to replenish the increased discharge. Otherwise, there will be an overall lowering of the water table in the recharge portion of the catchment. Copyright 2011 by the American Geophysical Union.

Flow and Transport in Complex Microporous Carbonates as a Consequence of Separation of Scales

NASA Astrophysics Data System (ADS)

Bijeljic, B.; Raeini, A. Q.; Lin, Q.; Blunt, M. J.

2017-12-01

Some of the most important examples of flow and transport in complex pore structures are found in subsurface applications such as contaminant hydrology, carbon storage and enhanced oil recovery. Carbonate rock structures contain most of the world's oil reserves, considerable amount of water reserves, and potentially hold a storage capacity for carbon dioxide. However, this type of pore space is difficult to represent due to complexities associated with a wide range of pore sizes and variation in connectivity which poses a considerable challenge for quantitative predictions of transport across multiple scales.A new concept unifying X-ray tomography experiment and direct numerical simulation has been developed that relies on full description flow and solute transport at the pore scale. Differential imaging method (Lin et al. 2016) provides rich information in microporous space, while advective and diffusive mass transport are simulated on micro-CT images of pore-space: Navier-Stokes equations are solved for flow in the image voxels comprising the pore space, streamline-based simulation is used to account for advection, and diffusion is superimposed by random walk.Quantitative validation has been done on analytical solutions for diffusion and by comparing the model predictions versus the experimental NMR measurements in the dual porosity beadpack. Furthermore, we discriminate signatures of multi-scale transport behaviour for a range of carbonate rock (Figure 1), dependent on the heterogeneity of the inter- and intra-grain pore space, heterogeneity in the flow field, and the mass transfer characteristics of the porous media. Finally, we demonstrate the predictive capabilities of the model through an analysis that includes a number of probability density functions flow and transport (PDFs) measures of non-Fickian transport on the micro-CT i935mages. In complex porous media separation of scales exists, leading to flow and transport signatures that need to be described by multiple functions with distinct flow field and transport characteristics. Reference: Lin, Q., Al-Khulaifi Y., Blunt, M.J. and Bijeljic B. (2016). Advances in Water Resources, 96, 306-322, doi:10.1016/j.advwatres.2016.08.002.

EVALUATING THE SENSITIVITY OF A SUBSURFACE MULTICOMPONENT REACTIVE TRANSPORT MODEL WITH RESPECT TO TRANSPORT AND REACTION PARAMETERS

EPA Science Inventory

The input variables for a numerical model of reactive solute transport in groundwater include both transport parameters, such as hydraulic conductivity and infiltration, and reaction parameters that describe the important chemical and biological processes in the system. These pa...

Modeling flow and transport in fracture networks using graphs

NASA Astrophysics Data System (ADS)

Karra, S.; O'Malley, D.; Hyman, J. D.; Viswanathan, H. S.; Srinivasan, G.

2018-03-01

Fractures form the main pathways for flow in the subsurface within low-permeability rock. For this reason, accurately predicting flow and transport in fractured systems is vital for improving the performance of subsurface applications. Fracture sizes in these systems can range from millimeters to kilometers. Although modeling flow and transport using the discrete fracture network (DFN) approach is known to be more accurate due to incorporation of the detailed fracture network structure over continuum-based methods, capturing the flow and transport in such a wide range of scales is still computationally intractable. Furthermore, if one has to quantify uncertainty, hundreds of realizations of these DFN models have to be run. To reduce the computational burden, we solve flow and transport on a graph representation of a DFN. We study the accuracy of the graph approach by comparing breakthrough times and tracer particle statistical data between the graph-based and the high-fidelity DFN approaches, for fracture networks with varying number of fractures and degree of heterogeneity. Due to our recent developments in capabilities to perform DFN high-fidelity simulations on fracture networks with large number of fractures, we are in a unique position to perform such a comparison. We show that the graph approach shows a consistent bias with up to an order of magnitude slower breakthrough when compared to the DFN approach. We show that this is due to graph algorithm's underprediction of the pressure gradients across intersections on a given fracture, leading to slower tracer particle speeds between intersections and longer travel times. We present a bias correction methodology to the graph algorithm that reduces the discrepancy between the DFN and graph predictions. We show that with this bias correction, the graph algorithm predictions significantly improve and the results are very accurate. The good accuracy and the low computational cost, with O (104) times lower times than the DFN, makes the graph algorithm an ideal technique to incorporate in uncertainty quantification methods.

Modeling flow and transport in fracture networks using graphs.

PubMed

Karra, S; O'Malley, D; Hyman, J D; Viswanathan, H S; Srinivasan, G

2018-03-01

Fractures form the main pathways for flow in the subsurface within low-permeability rock. For this reason, accurately predicting flow and transport in fractured systems is vital for improving the performance of subsurface applications. Fracture sizes in these systems can range from millimeters to kilometers. Although modeling flow and transport using the discrete fracture network (DFN) approach is known to be more accurate due to incorporation of the detailed fracture network structure over continuum-based methods, capturing the flow and transport in such a wide range of scales is still computationally intractable. Furthermore, if one has to quantify uncertainty, hundreds of realizations of these DFN models have to be run. To reduce the computational burden, we solve flow and transport on a graph representation of a DFN. We study the accuracy of the graph approach by comparing breakthrough times and tracer particle statistical data between the graph-based and the high-fidelity DFN approaches, for fracture networks with varying number of fractures and degree of heterogeneity. Due to our recent developments in capabilities to perform DFN high-fidelity simulations on fracture networks with large number of fractures, we are in a unique position to perform such a comparison. We show that the graph approach shows a consistent bias with up to an order of magnitude slower breakthrough when compared to the DFN approach. We show that this is due to graph algorithm's underprediction of the pressure gradients across intersections on a given fracture, leading to slower tracer particle speeds between intersections and longer travel times. We present a bias correction methodology to the graph algorithm that reduces the discrepancy between the DFN and graph predictions. We show that with this bias correction, the graph algorithm predictions significantly improve and the results are very accurate. The good accuracy and the low computational cost, with O(10^{4}) times lower times than the DFN, makes the graph algorithm an ideal technique to incorporate in uncertainty quantification methods.

Modeling flow and transport in fracture networks using graphs

DOE PAGES

Karra, S.; O'Malley, D.; Hyman, J. D.; ...

2018-03-09

Fractures form the main pathways for flow in the subsurface within low-permeability rock. For this reason, accurately predicting flow and transport in fractured systems is vital for improving the performance of subsurface applications. Fracture sizes in these systems can range from millimeters to kilometers. Although modeling flow and transport using the discrete fracture network (DFN) approach is known to be more accurate due to incorporation of the detailed fracture network structure over continuum-based methods, capturing the flow and transport in such a wide range of scales is still computationally intractable. Furthermore, if one has to quantify uncertainty, hundreds of realizationsmore » of these DFN models have to be run. To reduce the computational burden, we solve flow and transport on a graph representation of a DFN. We study the accuracy of the graph approach by comparing breakthrough times and tracer particle statistical data between the graph-based and the high-fidelity DFN approaches, for fracture networks with varying number of fractures and degree of heterogeneity. Due to our recent developments in capabilities to perform DFN high-fidelity simulations on fracture networks with large number of fractures, we are in a unique position to perform such a comparison. We show that the graph approach shows a consistent bias with up to an order of magnitude slower breakthrough when compared to the DFN approach. We show that this is due to graph algorithm's underprediction of the pressure gradients across intersections on a given fracture, leading to slower tracer particle speeds between intersections and longer travel times. We present a bias correction methodology to the graph algorithm that reduces the discrepancy between the DFN and graph predictions. We show that with this bias correction, the graph algorithm predictions significantly improve and the results are very accurate. In conclusion, the good accuracy and the low computational cost, with O(10 4) times lower times than the DFN, makes the graph algorithm an ideal technique to incorporate in uncertainty quantification methods.« less

Modeling flow and transport in fracture networks using graphs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karra, S.; O'Malley, D.; Hyman, J. D.

Fractures form the main pathways for flow in the subsurface within low-permeability rock. For this reason, accurately predicting flow and transport in fractured systems is vital for improving the performance of subsurface applications. Fracture sizes in these systems can range from millimeters to kilometers. Although modeling flow and transport using the discrete fracture network (DFN) approach is known to be more accurate due to incorporation of the detailed fracture network structure over continuum-based methods, capturing the flow and transport in such a wide range of scales is still computationally intractable. Furthermore, if one has to quantify uncertainty, hundreds of realizationsmore » of these DFN models have to be run. To reduce the computational burden, we solve flow and transport on a graph representation of a DFN. We study the accuracy of the graph approach by comparing breakthrough times and tracer particle statistical data between the graph-based and the high-fidelity DFN approaches, for fracture networks with varying number of fractures and degree of heterogeneity. Due to our recent developments in capabilities to perform DFN high-fidelity simulations on fracture networks with large number of fractures, we are in a unique position to perform such a comparison. We show that the graph approach shows a consistent bias with up to an order of magnitude slower breakthrough when compared to the DFN approach. We show that this is due to graph algorithm's underprediction of the pressure gradients across intersections on a given fracture, leading to slower tracer particle speeds between intersections and longer travel times. We present a bias correction methodology to the graph algorithm that reduces the discrepancy between the DFN and graph predictions. We show that with this bias correction, the graph algorithm predictions significantly improve and the results are very accurate. In conclusion, the good accuracy and the low computational cost, with O(10 4) times lower times than the DFN, makes the graph algorithm an ideal technique to incorporate in uncertainty quantification methods.« less

Integrated geophysical methods for geotechnical subsurface investigations : final report.

DOT National Transportation Integrated Search

2006-01-01

This report summarizes the New Hampshire Department of Transportations (NHDOTs) investigation of : geophysical techniques to supplement conventional test borings and other explorations on transportation projects. : The Departments geotechnic...

Effects of Temperature on Solute Transport Parameters in Differently-Textured Soils at Saturated Condition

NASA Astrophysics Data System (ADS)

Hamamoto, S.; Arihara, M.; Kawamoto, K.; Nishimura, T.; Komatsu, T.; Moldrup, P.

2014-12-01

Subsurface warming driven by global warming, urban heat islands, and increasing use of shallow geothermal heating and cooling systems such as the ground source heat pump, potentially causes changes in subsurface mass transport. Therefore, understanding temperature dependency of the solute transport characteristics is essential to accurately assess environmental risks due to increased subsurface temperature. In this study, one-dimensional solute transport experiments were conducted in soil columns under temperature control to investigate effects of temperature on solute transport parameters, such as solute dispersion and diffusion coefficients, hydraulic conductivity, and retardation factor. Toyoura sand, Kaolin clay, and intact loamy soils were used in the experiments. Intact loamy soils were taken during a deep well boring at the Arakawa Lowland in Saitama Prefecture, Japan. In the transport experiments, the core sample with 5-cm diameter and 4-cm height was first isotropically consolidated, whereafter 0.01M KCl solution was injected to the sample from the bottom. The concentrations of K+ and Cl- in the effluents were analyzed by an ion chromatograph to obtain solute breakthrough curves. The solute transport parameters were calculated from the breakthrough curves. The experiments were conducted under different temperature conditions (15, 25, and 40 oC). The retardation factor for the intact loamy soils decreased with increasing temperature, while water permeability increased due to reduced viscosity of water at higher temperature. Opposite, the effect of temperature on solute dispersivity for the intact loamy soils was insignificant. The effects of soil texture on the temperature dependency of the solute transport characteristics will be further investigated from comparison of results from differently-textured samples.

Plant-based plume-scale mapping of tritium contamination in desert soils

USGS Publications Warehouse

Andraski, Brian J.; Stonestrom, David A.; Michel, R.L.; Halford, K.J.; Radyk, J.C.

2005-01-01

Plant-based techniques were tested for field-scale evaluation of tritium contamination adjacent to a low-level radioactive waste (LLRW) facility in the Amargosa Desert, Nevada. Objectives were to (i) characterize and map the spatial variability of tritium in plant water, (ii) develop empirical relations to predict and map subsurface contamination from plant-water concentrations, and (iii) gain insight into tritium migration pathways and processes. Plant sampling [creosote bush, Larrea tridentata (Sessé & Moc. ex DC.) Coville] required one-fifth the time of soil water vapor sampling. Plant concentrations were spatially correlated to a separation distance of 380 m; measurement uncertainty accounted for <0.1% of the total variability in the data. Regression equations based on plant tritium explained 96 and 90% of the variation in root-zone and sub-root-zone soil water vapor concentrations, respectively. The equations were combined with kriged plant-water concentrations to map subsurface contamination. Mapping showed preferential lateral movement of tritium through a dry, coarse-textured layer beneath the root zone, with concurrent upward movement through the root zone. Analysis of subsurface fluxes along a transect perpendicular to the LLRW facility showed that upward diffusive-vapor transport dominates other transport modes beneath native vegetation. Downward advective-liquid transport dominates at one endpoint of the transect, beneath a devegetated road immediately adjacent to the facility. To our knowledge, this study is the first to document large-scale subsurface vapor-phase tritium migration from a LLRW facility. Plant-based methods provide a noninvasive, cost-effective approach to mapping subsurface tritium migration in desert areas.

Direct coupling of a genome-scale microbial in silico model and a groundwater reactive transport model.

PubMed

Fang, Yilin; Scheibe, Timothy D; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E; Lovley, Derek R

2011-03-25

The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The modeling system is designed in such a way that constraint-based models targeting different microorganisms or competing organism communities can be easily plugged into the system. Constraint-based modeling is very costly given the size of a genome-scale reaction network. To save computation time, a binary tree is traversed to examine the concentration and solution pool generated during the simulation in order to decide whether the constraint-based model should be called. We also show preliminary results from the integrated model including a comparison of the direct and indirect coupling approaches and evaluated the ability of the approach to simulate field experiment. Published by Elsevier B.V.

Optimal experimental design for placement of boreholes

NASA Astrophysics Data System (ADS)

Padalkina, Kateryna; Bücker, H. Martin; Seidler, Ralf; Rath, Volker; Marquart, Gabriele; Niederau, Jan; Herty, Michael

2014-05-01

Drilling for deep resources is an expensive endeavor. Among the many problems finding the optimal drilling location for boreholes is one of the challenging questions. We contribute to this discussion by using a simulation based assessment of possible future borehole locations. We study the problem of finding a new borehole location in a given geothermal reservoir in terms of a numerical optimization problem. In a geothermal reservoir the temporal and spatial distribution of temperature and hydraulic pressure may be simulated using the coupled differential equations for heat transport and mass and momentum conservation for Darcy flow. Within this model the permeability and thermal conductivity are dependent on the geological layers present in the subsurface model of the reservoir. In general, those values involve some uncertainty making it difficult to predict actual heat source in the ground. Within optimal experimental the question is which location and to which depth to drill the borehole in order to estimate conductivity and permeability with minimal uncertainty. We introduce a measure for computing the uncertainty based on simulations of the coupled differential equations. The measure is based on the Fisher information matrix of temperature data obtained through the simulations. We assume that the temperature data is available within the full borehole. A minimization of the measure representing the uncertainty in the unknown permeability and conductivity parameters is performed to determine the optimal borehole location. We present the theoretical framework as well as numerical results for several 2d subsurface models including up to six geological layers. Also, the effect of unknown layers on the introduced measure is studied. Finally, to obtain a more realistic estimate of optimal borehole locations, we couple the optimization to a cost model for deep drilling problems.

Genome-enabled Modeling of Microbial Biogeochemistry using a Trait-based Approach. Does Increasing Metabolic Complexity Increase Predictive Capabilities?

NASA Astrophysics Data System (ADS)

King, E.; Karaoz, U.; Molins, S.; Bouskill, N.; Anantharaman, K.; Beller, H. R.; Banfield, J. F.; Steefel, C. I.; Brodie, E.

2015-12-01

The biogeochemical functioning of ecosystems is shaped in part by genomic information stored in the subsurface microbiome. Cultivation-independent approaches allow us to extract this information through reconstruction of thousands of genomes from a microbial community. Analysis of these genomes, in turn, gives an indication of the organisms present and their functional roles. However, metagenomic analyses can currently deliver thousands of different genomes that range in abundance/importance, requiring the identification and assimilation of key physiologies and metabolisms to be represented as traits for successful simulation of subsurface processes. Here we focus on incorporating -omics information into BioCrunch, a genome-informed trait-based model that represents the diversity of microbial functional processes within a reactive transport framework. This approach models the rate of nutrient uptake and the thermodynamics of coupled electron donors and acceptors for a range of microbial metabolisms including heterotrophs and chemolithotrophs. Metabolism of exogenous substrates fuels catabolic and anabolic processes, with the proportion of energy used for cellular maintenance, respiration, biomass development, and enzyme production based upon dynamic intracellular and environmental conditions. This internal resource partitioning represents a trade-off against biomass formation and results in microbial community emergence across a fitness landscape. Biocrunch was used here in simulations that included organisms and metabolic pathways derived from a dataset of ~1200 non-redundant genomes reflecting a microbial community in a floodplain aquifer. Metagenomic data was directly used to parameterize trait values related to growth and to identify trait linkages associated with respiration, fermentation, and key enzymatic functions such as plant polymer degradation. Simulations spanned a range of metabolic complexities and highlight benefits originating from simulations including a larger number of organisms that more appropriately reflect the in situ microbial community.

Optical clearing of vaginal tissues

NASA Astrophysics Data System (ADS)

Chang, Chun-Hung; Myers, Erinn M.; Kennelly, Michael J.; Fried, Nathaniel M.

2017-02-01

Near-IR laser energy in conjunction with applied tissue cooling is being investigated for thermal remodeling of endopelvic fascia during minimally invasive treatment of female stress urinary incontinence. Previous simulations of light transport, heat transfer, and tissue thermal damage have shown that a transvaginal approach is more feasible than a transurethral approach. However, undesirable thermal insult to vaginal wall was predicted. This study explores whether an optical clearing agent (OCA) can improve optical penetration depth and completely preserve vaginal wall during subsurface treatment of endopelvic fascia. Several OCA mixtures were tested, and 100% glycerol was found to be optimal. Optical transmission studies, optical coherence tomography, reflection spectroscopy, and computer simulations of thermal damage to tissue using glycerol were performed. The OCA produced a 61% increase in optical transmission through porcine vaginal wall at 37 °C after 30 min. Monte Carlo (MC) light transport, heat transfer, and Arrhenius integral thermal damage simulations were performed. MC model showed improved energy deposition in endopelvic fascia using OCA. Without OCA, 62, 37, and 1% of energy was deposited in vaginal wall, endopelvic fascia, and urethral wall, compared with 50, 49, and 1% with OCA. Use of OCA also yielded 0.5 mm increase in treatment depth, allowing potential thermal tissue remodeling at 3 mm depth.

Numerical Modeling of Artificial Recharge: Determining Spatial/Temporal Sampling Resolution to Quantify Infiltration Rates and Effective Hydraulic Conductivity

NASA Astrophysics Data System (ADS)

Glose, T. J.; Hausner, M. B.; Lowry, C.

2016-12-01

The accurate, fine scale quantification of groundwater-surface water (GW-SW) interactions over large expanses in hydrologic systems is a fundamental need in order to accurately characterize critical zones of biogeochemical transformation and fluxes, as well as to provide insight into near-surface geologic heterogeneity. Paired fiber-optic distributed temperature sensing (FO-DTS) is a tool that is capable of synoptically sampling hydrologic systems, allowing GW-SW interactions to be examined at a fine scale over large distances. Within managed aquifer recharge (MAR) sites, differential recharge dynamics controlled by bed clogging and subsurface heterogeneity dictate the effectiveness of these sites at infiltrating water. Numerical modeling indicates that the use of paired FO-DTS in an MAR site can provide accurate quantification of flux at the GW-SW interface, as well as provide insight to the areal extent of geologic heterogeneity in the subsurface. However, the lateral and vertical separation of the fiber-optic cables is of vital importance. Here we present a 2-D, fully coupled groundwater flow and heat transport model with prescribed heterogeneity. Following a forward modeling approach, realizations simulating varying fiber-optic cable positioning, differential bed clogging, and hydraulic conductivity variability were analyzed over a suite of scenarios. The results from the model were then used as observations to calculate groundwater recharge rates and calibration targets for an inverse model to estimate subsurface heterogeneity.

Review on subsurface colloids and colloid-associated contaminant transport in saturated porous media.

PubMed

Kanti Sen, Tushar; Khilar, Kartic C

2006-02-28

In this review article, the authors present up-to-date developments on experimental, modeling and field studies on the role of subsurface colloidal fines on contaminant transport in saturated porous media. It is a complex phenomenon in porous media involving several basic processes such as colloidal fines release, dispersion stabilization, migration and fines entrapment/plugging at the pore constrictions and adsorption at solid/liquid interface. The effects of these basic processes on the contaminant transport have been compiled. Here the authors first present the compilation on in situ colloidal fines sources, release, stabilization of colloidal dispersion and migration which are a function of physical and chemical conditions of subsurface environment and finally their role in inorganic and organic contaminants transport in porous media. The important aspects of this article are as follows: (i) it gives not only complete compilation on colloidal fines-facilitated contaminant transport but also reviews the new role of colloidal fines in contaminant retardation due to plugging of pore constrictions. This plugging phenomenon also depends on various factors such as concentration of colloidal fines, superficial velocity and bead-to-particle size ratio. This plugging-based contaminant transport can be used to develop containment technique in soil and groundwater remediation. (ii) It also presents the importance of critical salt concentration (CSC), critical ionic strength for mixed salt, critical shear stressor critical particle concentration (CPC) on in situ colloidal fines release and migration and consequently their role on contaminant transport in porous media. (iii) It also reviews another class of colloidal fines called biocolloids and their transport in porous media. Finally, the authors highlight the future research based on their critical review on colloid-associated contaminant transport in saturated porous media.

Surface Modification and Surface - Subsurface Exchange Processes on Europa

NASA Astrophysics Data System (ADS)

Phillips, Cynthia B.; Molaro, Jamie; Hand, Kevin P.

2017-10-01

The surface of Jupiter’s moon Europa is modified by exogenic processes such as sputtering, gardening, radiolysis, sulfur ion implantation, and thermal processing, as well as endogenic processes including tidal shaking, mass wasting, and the effects of subsurface tectonic and perhaps cryovolcanic activity. New materials are created or deposited on the surface (radiolysis, micrometeorite impacts, sulfur ion implantation, cryovolcanic plume deposits), modified in place (thermal segregation, sintering), transported either vertically or horizontally (sputtering, gardening, mass wasting, tectonic and cryovolcanic activity), or lost from Europa completely (sputtering, plumes, larger impacts). Some of these processes vary spatially, as visible in Europa’s leading-trailing hemisphere brightness asymmetry.Endogenic geologic processes also vary spatially, depending on terrain type. The surface can be classified into general landform categories that include tectonic features (ridges, bands, cracks); disrupted “chaos-type” terrain (chaos blocks, matrix, domes, pits, spots); and impact craters (simple, complex, multi-ring). The spatial distribution of these terrain types is relatively random, with some differences in apex-antiapex cratering rates and latitudinal variation in chaos vs. tectonic features.In this work, we extrapolate surface processes and rates from the top meter of the surface in conjunction with global estimates of transport and resurfacing rates. We combine near-surface modification with an estimate of surface-subsurface (and vice versa) transport rates for various geologic terrains based on an average of proposed formation mechanisms, and a spatial distribution of each landform type over Europa’s surface area.Understanding the rates and mass balance for each of these processes, as well as their spatial and temporal variability, allows us to estimate surface - subsurface exchange rates over the average surface age (~50myr) of Europa. Quantifying the timescale and volume of transported material will yield insight on whether such a process may provide fuel to sustain a biosphere in Europa’s subsurface ocean, which is relevant to searches for life by a future mission such as a potential Europa Lander.

Surface Modification and Surface - Subsurface Exchange Processes on Europa

NASA Astrophysics Data System (ADS)

Phillips, C. B.; Molaro, J.; Hand, K. P.

2017-12-01

The surface of Jupiter's moon Europa is modified by exogenic processes such as sputtering, gardening, radiolysis, sulfur ion implantation, and thermal processing, as well as endogenic processes including tidal shaking, mass wasting, and the effects of subsurface tectonic and perhaps cryovolcanic activity. New materials are created or deposited on the surface (radiolysis, micrometeorite impacts, sulfur ion implantation, cryovolcanic plume deposits), modified in place (thermal segregation, sintering), transported either vertically or horizontally (sputtering, gardening, mass wasting, tectonic and cryovolcanic activity), or lost from Europa completely (sputtering, plumes, larger impacts). Some of these processes vary spatially, as visible in Europa's leading-trailing hemisphere brightness asymmetry. Endogenic geologic processes also vary spatially, depending on terrain type. The surface can be classified into general landform categories that include tectonic features (ridges, bands, cracks); disrupted "chaos-type" terrain (chaos blocks, matrix, domes, pits, spots); and impact craters (simple, complex, multi-ring). The spatial distribution of these terrain types is relatively random, with some differences in apex-antiapex cratering rates and latitudinal variation in chaos vs. tectonic features. In this work, we extrapolate surface processes and rates from the top meter of the surface in conjunction with global estimates of transport and resurfacing rates. We combine near-surface modification with an estimate of surface-subsurface (and vice versa) transport rates for various geologic terrains based on an average of proposed formation mechanisms, and a spatial distribution of each landform type over Europa's surface area. Understanding the rates and mass balance for each of these processes, as well as their spatial and temporal variability, allows us to estimate surface - subsurface exchange rates over the average surface age ( 50myr) of Europa. Quantifying the timescale and volume of transported material will yield insight on whether such a process may provide fuel to sustain a biosphere in Europa's subsurface ocean, which is relevant to searches for life by a future mission such as a potential Europa Lander.

Scaling of flow and transport behavior in heterogeneous groundwater systems

NASA Astrophysics Data System (ADS)

Scheibe, Timothy; Yabusaki, Steven

1998-11-01

Three-dimensional numerical simulations using a detailed synthetic hydraulic conductivity field developed from geological considerations provide insight into the scaling of subsurface flow and transport processes. Flow and advective transport in the highly resolved heterogeneous field were modeled using massively parallel computers, providing a realistic baseline for evaluation of the impacts of parameter scaling. Upscaling of hydraulic conductivity was performed at a variety of scales using a flexible power law averaging technique. A series of tests were performed to determine the effects of varying the scaling exponent on a number of metrics of flow and transport behavior. Flow and transport simulation on high-performance computers and three-dimensional scientific visualization combine to form a powerful tool for gaining insight into the behavior of complex heterogeneous systems. Many quantitative groundwater models utilize upscaled hydraulic conductivity parameters, either implicitly or explicitly. These parameters are designed to reproduce the bulk flow characteristics at the grid or field scale while not requiring detailed quantification of local-scale conductivity variations. An example from applied groundwater modeling is the common practice of calibrating grid-scale model hydraulic conductivity or transmissivity parameters so as to approximate observed hydraulic head and boundary flux values. Such parameterizations, perhaps with a bulk dispersivity imposed, are then sometimes used to predict transport of reactive or non-reactive solutes. However, this work demonstrates that those parameters that lead to the best upscaling for hydraulic conductivity and head do not necessarily correspond to the best upscaling for prediction of a variety of transport behaviors. This result reflects the fact that transport is strongly impacted by the existence and connectedness of extreme-valued hydraulic conductivities, in contrast to bulk flow which depends more strongly on mean values. It provides motivation for continued research into upscaling methods for transport that directly address advection in heterogeneous porous media. An electronic version of this article is available online at the journal's homepage at http://www.elsevier.nl/locate/advwatres or http://www.elsevier.com/locate/advwatres (see "Special section on vizualization". The online version contains additional supporting information, graphics, and a 3D animation of simulated particle movement. Limited. All rights reserved

An information theory application to improve understanding of subsurface flow and transport conditions at the BARC OPE3 site

USDA-ARS?s Scientific Manuscript database

Improving understanding of subsurface conditions includes comparison and discrimination of concurrent models. Additional observations can be useful for that purpose. The objective of this work was to implement and test a novel method for optimization of selecting locations for additional observation...

Measurements of Capillary Pressure-Saturation Relationships for Silica Sands Using Light Transmission Visualization and a Rapid Pseudo Static Methods

EPA Science Inventory

Measurement of water saturation in porous media is essential for many types of studies including subsurface water flow, subsurface colloids transport and contaminant remediation to name a few. Water saturation (S) in porous media is dependent on the capillary pressure (Pc) which,...

Synthetic Sediments and Stochastic Groundwater Hydrology

NASA Astrophysics Data System (ADS)

Wilson, J. L.

2002-12-01

For over twenty years the groundwater community has pursued the somewhat elusive goal of describing the effects of aquifer heterogeneity on subsurface flow and chemical transport. While small perturbation stochastic moment methods have significantly advanced theoretical understanding, why is it that stochastic applications use instead simulations of flow and transport through multiple realizations of synthetic geology? Allan Gutjahr was a principle proponent of the Fast Fourier Transform method for the synthetic generation of aquifer properties and recently explored new, more geologically sound, synthetic methods based on multi-scale Markov random fields. Focusing on sedimentary aquifers, how has the state-of-the-art of synthetic generation changed and what new developments can be expected, for example, to deal with issues like conceptual model uncertainty, the differences between measurement and modeling scales, and subgrid scale variability? What will it take to get stochastic methods, whether based on moments, multiple realizations, or some other approach, into widespread application?

Exploration criteria for low permeability geothermal resources. Final report. [Coso KGRA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Norton, D.

1977-10-01

Low permeability geothermal systems related to high temperature plutons in the upper crust were analyzed in order to ascertain those characteristics of these systems which could be detected by surface and shallow subsurface exploration methods. Analyses were designed to integrate data and concepts from the literature, which relate to the transport processes, together with computer simulation of idealized systems. The systems were analyzed by systematically varying input parameters in order to understand their effect on the variables which might be measured in an exploration-assessment program. The methods were applied to a prospective system in its early stages of evaluation. Datamore » from the Coso system were used. The study represents a first-order approximation to transport processes in geothermal systems, which consist of high temperature intrusions, host rock, and fluids. Included in an appendix are operations procedures for interactive graphics programs developed during the study. (MHR)« less

Role of subsurface ocean in decadal climate predictability over the South Atlantic.

PubMed

Morioka, Yushi; Doi, Takeshi; Storto, Andrea; Masina, Simona; Behera, Swadhin K

2018-06-04

Decadal climate predictability in the South Atlantic is explored by performing reforecast experiments using a coupled general circulation model with two initialization schemes; one is assimilated with observed sea surface temperature (SST) only, and the other is additionally assimilated with observed subsurface ocean temperature and salinity. The South Atlantic is known to undergo decadal variability exhibiting a meridional dipole of SST anomalies through variations in the subtropical high and ocean heat transport. Decadal reforecast experiments in which only the model SST is initialized with the observation do not predict well the observed decadal SST variability in the South Atlantic, while the other experiments in which the model SST and subsurface ocean are initialized with the observation skillfully predict the observed decadal SST variability, particularly in the Southeast Atlantic. In-depth analysis of upper-ocean heat content reveals that a significant improvement of zonal heat transport in the Southeast Atlantic leads to skillful prediction of decadal SST variability there. These results demonstrate potential roles of subsurface ocean assimilation in the skillful prediction of decadal climate variability over the South Atlantic.

Elucidating the fate of a mixed toluene, DHM, methanol, and i-propanol plume during in situ bioremediation

NASA Astrophysics Data System (ADS)

Verardo, E.; Atteia, O.; Prommer, H.

2017-06-01

Organic pollutants such as solvents or petroleum products are widespread contaminants in soil and groundwater systems. In-situ bioremediation is a commonly used remediation technology to clean up the subsurface to eliminate the risks of toxic substances to reach potential receptors in surface waters or drinking water wells. This study discusses the development of a subsurface model to analyse the performance of an actively operating field-scale enhanced bioremediation scheme. The study site was affected by a mixed toluene, dihydromyrcenol (DHM), methanol, and i-propanol plume. A high-resolution, time-series of data was used to constrain the model development and calibration. The analysis shows that the observed failure of the treatment system is linked to an inefficient oxygen injection pattern. Moreover, the model simulations also suggest that additional contaminant spillages have occurred in 2012. Those additional spillages and their associated additional oxygen demand resulted in a significant increase in contaminant fluxes that remained untreated. The study emphasises the important role that reactive transport modelling can play in data analyses and for enhancing remediation efficiency.

Wind-driven Sea-Ice Changes Intensify Subsurface Warm Water Intrusion into the West Antarctic Land Ice Front

NASA Astrophysics Data System (ADS)

Li, X.; Gille, S. T.; shang-Ping, X.; Xie, S. P.; Holland, D. M.; Holland, M. M.

2016-12-01

The climate change observed around Antarctica in recent decades is characterized by distinct zonally asymmetric patterns, with the strongest changes over West Antarctica. These changes are marked by strong land ice melting and sea ice redistribution around West Antarctica. This is associated with temperature and circulation anomalies in the ocean and atmosphere around the same area. In this study, we comprehensively examine the coherency between these changes using a combination of observations and numerical simulations. Results show that the atmospheric circulation changes distinctly drive the changes in ocean circulation and sea ice distribution. In addition, the atmospheric circulation induced sea ice changes play an important role in lifting the subsurface ocean temperature and salinity around the West Antarctica. During recent decades, the Amundsen Sea Low (ASL) has deepened, especially in austral autumn and winter. This deepened ASL has intensified the offshore wind near the coastal regions of the Ross Sea. Driven by these atmospheric changes, more sea ice has formed near West Antarctica in winter. In contrast, more sea ice melts during the summer. This strengthened sea ice seasonality has been observed and successfully reproduced in the model simulation. The wind-driven sea ice changes causes a surface freshening over the Ross and Amundsen Seas, with a subsurface salinity increase over the Ross Sea. The additional fresh/salt water fluxes thus further change the vertical distribution of salinity and strengthen the stratification in the Ross and Amundsen Seas. As a result of the above ice-ocean process, the mixed-layer depth around the Ross and Amundsen Seas shallows. By weakening the vertical heat transport near the surface layer, and inducing an upward movement of the circumpolar deep water (CDW), this process freshened and cooled the surface layer, while the salinity and temperature in the sub-surface ocean are increased, extending from 150 meters to >700 meters. Around the Amundsen Sea, warm water touches the continent, which could potentially contribute to the accelerated land ice melting over this area.

E. coli transport through surface-connected biopores identified from smoke injection tests

USDA-ARS?s Scientific Manuscript database

Macropores are the primary mechanism by which fecal bacteria from surface-applied manure can be transported into subsurface drains or shallow groundwater bypassing the soil matrix. Limited research has been performed investigating fecal bacteria transport through specific macropores identified in th...

Wells for In Situ Extraction of Volatiles from Regolith (WIEVR)

NASA Technical Reports Server (NTRS)

Walton, Otis R.

2013-01-01

A document discusses WIEVRs, a means to extract water ice more efficiently than previous approaches. This water may exist in subsurface deposits on the Moon, in many NEOs (Near- Earth Objects), and on Mars. The WIEVR approach utilizes heat from the Sun to vaporize subsurface ice; the water (or other volatile) vapor is transported to a surface collection vessel where it is condensed (and collected). The method does not involve mining and extracting regolith before removing the frozen volatiles, so it uses less energy and is less costly than approaches that require mining of regolith. The only drilling required for establishing the WIEVR collection/recovery system is a well-bore drill hole. In its simplest form, the WIEVRs will function without pumps, compressors, or other gas-moving equipment, relying instead on diffusive transport and thermally induced convection of the vaporized volatiles for transport to the collection location(s). These volatile extraction wells could represent a significant advance in extraction efficiency for recovery of frozen volatiles in subsurface deposits on the Moon, Mars, or other extraterrestrial bodies.

TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, T.; Spycher, N.; Sonnenthal, E.

2010-08-01

TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media, and was developed by introducing reactive chemistry into the multiphase fluid and heat flow simulator TOUGH2 V2. The first version of TOUGHREACT was released to the public through the U.S. Department of Energy's Energy Science and Technology Software Center (ESTSC) in August 2004. It is among the most frequently requested of ESTSC's codes. The code has been widely used for studies in CO{sub 2} geological sequestration, nuclear waste isolation, geothermal energy development, environmental remediation, and increasingly for petroleum applications. Over themore » past several years, many new capabilities have been developed, which were incorporated into Version 2 of TOUGHREACT. Major additions and improvements in Version 2 are discussed here, and two application examples are presented: (1) long-term fate of injected CO{sub 2} in a storage reservoir and (2) biogeochemical cycling of metals in mining-impacted lake sediments.« less

Can biophysical properties of submersed macrophytes be determined by remote sensing?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malthus, T.J.; Ciraolo, G.; La Loggia, G.

1997-06-01

This paper details the development of a computationally efficient Monte Carlo simulation program to model photon transport through submersed plant canopies, with emphasis on Seagrass communities. The model incorporates three components: the transmission of photons through a water column of varying depth and turbidity; the interaction of photons within a submersed plant canopy of varying biomass; and interactions with the bottom substrate. The three components of the model are discussed. Simulations were performed based on measured parameters for Posidonia oceanica and compared to measured subsurface reflectance spectra made over comparable seagrass communities in Sicilian coastal waters. It is shown thatmore » the output is realistic. Further simulations are undertaken to investigate the effect of depth and turbidity of the overlying water column. Both sets of results indicate the rapid loss of canopy signal as depth increases and water column phytoplankton concentrations increase. The implications for the development of algorithms for the estimation of submersed canopy biophysical parameters are briefly discussed.« less

Evidence for link between modelled trends in Antarctic sea ice and underestimated westerly wind changes

PubMed Central

Purich, Ariaan; Cai, Wenju; England, Matthew H.; Cowan, Tim

2016-01-01

Despite global warming, total Antarctic sea ice coverage increased over 1979–2013. However, the majority of Coupled Model Intercomparison Project phase 5 models simulate a decline. Mechanisms causing this discrepancy have so far remained elusive. Here we show that weaker trends in the intensification of the Southern Hemisphere westerly wind jet simulated by the models may contribute to this disparity. During austral summer, a strengthened jet leads to increased upwelling of cooler subsurface water and strengthened equatorward transport, conducive to increased sea ice. As the majority of models underestimate summer jet trends, this cooling process is underestimated compared with observations and is insufficient to offset warming in the models. Through the sea ice-albedo feedback, models produce a high-latitude surface ocean warming and sea ice decline, contrasting the observed net cooling and sea ice increase. A realistic simulation of observed wind changes may be crucial for reproducing the recent observed sea ice increase. PMID:26842498

Evidence for link between modelled trends in Antarctic sea ice and underestimated westerly wind changes.

PubMed

Purich, Ariaan; Cai, Wenju; England, Matthew H; Cowan, Tim

2016-02-04

Despite global warming, total Antarctic sea ice coverage increased over 1979-2013. However, the majority of Coupled Model Intercomparison Project phase 5 models simulate a decline. Mechanisms causing this discrepancy have so far remained elusive. Here we show that weaker trends in the intensification of the Southern Hemisphere westerly wind jet simulated by the models may contribute to this disparity. During austral summer, a strengthened jet leads to increased upwelling of cooler subsurface water and strengthened equatorward transport, conducive to increased sea ice. As the majority of models underestimate summer jet trends, this cooling process is underestimated compared with observations and is insufficient to offset warming in the models. Through the sea ice-albedo feedback, models produce a high-latitude surface ocean warming and sea ice decline, contrasting the observed net cooling and sea ice increase. A realistic simulation of observed wind changes may be crucial for reproducing the recent observed sea ice increase.

Numerische Szenariosimulationen zur Ausbreitung von hochmineralisiertem Wasser in oberflächennahen Süßwasseraquiferen

NASA Astrophysics Data System (ADS)

Wiegers, Carla Elisabeth; Schäfer, Dirk

2015-06-01

In areas where the geological subsurface is used for storage of gases or fracking, there is a risk of saline formation water entering protected aquifers. The impact of such potential leakage therefore needs to be evaluated at relevant sites to develop practical monitoring concepts. Three-dimensional numerical simulations and a sensitivity analysis are performed to determine the influence of aquifer parameters, ground water flow, aquifer morphology, leakage rate and NaCl-concentration of the intruding water on the propagation behaviour of saline water. Two example scenarios were simulated based on a realistic site-scale conceptual model, one with water from the lower Braunkohlensande, (NaCl = 7.61 g/l) the other with saline water from the Bunter sandstone formation (NaCl = 280.3 g/l). The simulations show that saltwater migrates along the bottom of the aquifer, and that groundwater flow can dominate the transport of chloride. In this case the spreading of denser water is not influenced by the aquifer's morphology.

Inputs and losses by surface runoff and subsurface leaching for pastures managed by continuous or rotational stocking.

PubMed

Owens, L B; Barker, D J; Loerch, S C; Shipitalo, M J; Bonta, J V; Sulc, R M

2012-01-01

Pasture management practices can affect forage quality and production, animal health and production, and surface and groundwater quality. In a 5-yr study conducted at the North Appalachian Experimental Watershed near Coshocton, Ohio, we compared the effects of two contrasting grazing methods on surface and subsurface water quantity and quality. Four pastures, each including a small, instrumented watershed (0.51-1.09 ha) for surface runoff measurements and a developed spring for subsurface flow collection, received 112 kg N ha(-1) yr(-1) and were grazed at similar stocking rates (1.8-1.9 cows ha(-1)). Two pastures were continuously stocked; two were subdivided so that they were grazed with frequent rotational stocking (5-6 times weekly). In the preceding 5 yr, these pastures received 112 kg N ha(-1) yr(-1) after several years of 0 N fertilizer and were grazed with weekly rotational stocking. Surface runoff losses of N were minimal. During these two periods, some years had precipitation up to 50% greater than the long-term average, which increased subsurface flow and NO(3)-N transport. Average annual NO(3)-N transported in subsurface flow from the four watersheds during the two 5-yr periods ranged from 11.3 to 22.7 kg N ha(-1), which was similar to or less than the mineral-N received in precipitation. Flow and transport variations were greater among seasons than among watersheds. Flow-weighted seasonal NO(3)-N concentrations in subsurface flow did not exceed 7 mg L(-1). Variations in NO(3)-N leached from pastures were primarily due to variable precipitation rather than the effects of continuous, weekly rotational, or frequent rotational stocking practices. This suggests that there was no difference among these grazing practices in terms of NO(3)-N leaching. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

3D printing application and numerical simulations in a fracture system

NASA Astrophysics Data System (ADS)

Yoon, H.; Martinez, M. J.

2017-12-01

The hydrogeological and mechanical properties in fractured and porous media are fundamental to predicting coupled multiphysics processes in the subsurface. Recent advances in experimental methods and multi-scale imaging capabilities have revolutionized our ability to quantitatively characterize geomaterials and digital counterparts are now routinely used for numerical simulations to characterize petrophysical and mechanical properties across scales. 3D printing is a very effective and creative technique that reproduce the digital images in a controlled way. For geoscience applications, 3D printing can be co-opted to print reproducible porous and fractured structures derived from CT-imaging of actual rocks and theoretical algorithms for experimental testing. In this work we used a stereolithography (SLA) method to create a single fracture network. The fracture in shale was first scanned using a microCT system and then the digital fracture network was printed into two parts and assembled. Aperture ranges from 0.3 to 1 mm. In particular, we discuss the design of single fracture network and the progress of printing practices to reproduce the fracture network system. Printed samples at different scales are used to measure the permeability and surface roughness. Various numerical simulations including (non-)reactive transport and multiphase flow cases are performed to study fluid flow characterization. We will also discuss the innovative advancement of 3D printing techniques applicable for coupled processes in the subsurface. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Field study and simulation of diurnal temperature effects on infiltration and variably saturated flow beneath an ephemeral stream

USGS Publications Warehouse

Dudek Ronan, Anne; Prudic, David E.; Thodal, Carl E.; Constantz, Jim

1998-01-01

Two experiments were performed to investigate flow beneath an ephemeral stream and to estimate streambed infiltration rates. Discharge and stream-area measurements were used to determine infiltration rates. Stream and subsurface temperatures were used to interpret subsurface flow through variably saturated sediments beneath the stream. Spatial variations in subsurface temperatures suggest that flow beneath the streambed is dependent on the orientation of the stream in the canyon and the layering of the sediments. Streamflow and infiltration rates vary diurnally: Streamflow is lowest in late afternoon when stream temperature is greatest and highest in early morning when stream temperature is least. The lower afternoon Streamflow is attributed to increased infiltration rates; evapotranspiration is insufficient to account for the decreased Streamflow. The increased infiltration rates are attributed to viscosity effects on hydraulic conductivity from increased stream temperatures. The first set of field data was used to calibrate a two-dimensional variably saturated flow model that includes heat transport. The model was calibrated to (1) temperature fluctuations in the subsurface and (2) infiltration rates determined from measured Streamflow losses. The second set of field data was to evaluate the ability to predict infiltration rates on the basis of temperature measurements alone. Results indicate that the variably saturated subsurface flow depends on downcanyon layering of the sediments. They also support the field observations in indicating that diurnal changes in infiltration can be explained by temperature dependence of hydraulic conductivity. Over the range of temperatures and flows monitored, diurnal stream temperature changes can be used to estimate streambed infiltration rates. It is often impractical to maintain equipment for determining infiltration rates by traditional means; however, once a model is calibrated using both infiltration and temperature data, only relatively inexpensive temperature monitoring can later yield infiltration rates that are within the correct order of magnitude.

Modeling reactive transport with particle tracking and kernel estimators

NASA Astrophysics Data System (ADS)

Rahbaralam, Maryam; Fernandez-Garcia, Daniel; Sanchez-Vila, Xavier

2015-04-01

Groundwater reactive transport models are useful to assess and quantify the fate and transport of contaminants in subsurface media and are an essential tool for the analysis of coupled physical, chemical, and biological processes in Earth Systems. Particle Tracking Method (PTM) provides a computationally efficient and adaptable approach to solve the solute transport partial differential equation. On a molecular level, chemical reactions are the result of collisions, combinations, and/or decay of different species. For a well-mixed system, the chem- ical reactions are controlled by the classical thermodynamic rate coefficient. Each of these actions occurs with some probability that is a function of solute concentrations. PTM is based on considering that each particle actually represents a group of molecules. To properly simulate this system, an infinite number of particles is required, which is computationally unfeasible. On the other hand, a finite number of particles lead to a poor-mixed system which is limited by diffusion. Recent works have used this effect to actually model incomplete mix- ing in naturally occurring porous media. In this work, we demonstrate that this effect in most cases should be attributed to a defficient estimation of the concentrations and not to the occurrence of true incomplete mixing processes in porous media. To illustrate this, we show that a Kernel Density Estimation (KDE) of the concentrations can approach the well-mixed solution with a limited number of particles. KDEs provide weighting functions of each particle mass that expands its region of influence, hence providing a wider region for chemical reactions with time. Simulation results show that KDEs are powerful tools to improve state-of-the-art simulations of chemical reactions and indicates that incomplete mixing in diluted systems should be modeled based on alternative conceptual models and not on a limited number of particles.

An approach to understanding hydrologic connectivity on the hillslope and the implications for nutrient transport

USGS Publications Warehouse

Stieglitz, M.; Shaman, J.; McNamara, J.; Engel, V.; Shanley, J.; Kling, G.W.

2003-01-01

Hydrologic processes control much of the export of organic matter and nutrients from the land surface. It is the variability of these hydrologic processes that produces variable patterns of nutrient transport in both space and time. In this paper, we explore how hydrologic "connectivity" potentially affects nutrient transport. Hydrologic connectivity is defined as the condition by which disparate regions on the hillslope are linked via subsurface water flow. We present simulations that suggest that for much of the year, water draining through a catchment is spatially isolated. Only rarely, during storm and snowmelt events when antecedent soil moisture is high, do our simulations suggest that mid-slope saturation (or near saturation) occurs and that a catchment connects from ridge to valley. Observations during snowmelt at a small headwater catchment in Idaho are consistent with these model simulations. During early season discharge episodes, in which the mid-slope soil column is not saturated, the electrical conductivity in the stream remains low, reflecting a restricted, local (lower slope) source of stream water and the continued isolation of upper and mid-slope soil water and nutrients from the stream system. Increased streamflow and higher stream water electrical conductivity, presumably reflecting the release of water from the upper reaches of the catchment, are simultaneously observed when the mid-slope becomes sufficiently wet. This study provides preliminary evidence that the seasonal timing of hydrologic connectivity may affect a range of ecological processes, including downslope nutrient transport, C/N cycling, and biological productivity along the toposequence. A better elucidation of hydrologic connectivity will be necessary for understanding local processes as well as material export from land to water at regional and global scales. Copyright 2003 by the American Geophysical Union.

Uranium transport in a crushed granodiorite: Experiments and reactive transport modeling

DOE PAGES

Dittrich, T. M.; Reimus, P. W.

2015-02-12

The primary objective of this study was to develop and demonstrate an experimental method to refine and better parameterize process models for reactive contaminant transport in aqueous subsurface environments and to reduce conservatism in such models without attempting to fully describe the geochemical system.

Capabilities of seismic and georadar 2D/3D imaging of shallow subsurface of transport route using the Seismobile system

NASA Astrophysics Data System (ADS)

Pilecki, Zenon; Isakow, Zbigniew; Czarny, Rafał; Pilecka, Elżbieta; Harba, Paulina; Barnaś, Maciej

2017-08-01

In this work, the capabilities of the Seismobile system for shallow subsurface imaging of transport routes, such as roads, railways, and airport runways, in different geological conditions were presented. The Seismobile system combines the advantages of seismic profiling using landstreamer and georadar (GPR) profiling. It consists of up to four seismic measuring lines and carriage with a suspended GPR antenna. Shallow subsurface recognition may be achieved to a maximum width of 10.5 m for a distance of 3.5 m between the measurement lines. GPR measurement is performed in the axis of the construction. Seismobile allows the measurement time, labour and costs to be reduced due to easy technique of its installation, remote data transmission from geophones to accompanying measuring modules, automated location of the system based on GPS and a highly automated method of seismic wave excitation. In this paper, the results of field tests carried out in different geological conditions were presented. The methodologies of acquisition, processing and interpretation of seismic and GPR measurements were broadly described. Seismograms and its spectrum registered by Seismobile system were compared to the ones registered by Geode seismograph of Geometrix. Seismic data processing and interpretation software allows for the obtaining of 2D/3D models of P- and S-wave velocities. Combined seismic and GPR results achieved sufficient imaging of shallow subsurface to a depth of over a dozen metres. The obtained geophysical information correlated with geological information from the boreholes with good quality. The results of performed tests proved the efficiency of the Seismobile system in seismic and GPR imaging of a shallow subsurface of transport routes under compound conditions.

Debates - Stochastic subsurface hydrology from theory to practice: Introduction

NASA Astrophysics Data System (ADS)

Rajaram, Harihar

2016-12-01

This paper introduces the papers in the "Debates - Stochastic Subsurface Hydrology from Theory to Practice" series. Beginning in the 1970s, the field of stochastic subsurface hydrology has been an active field of research, with over 3500 journal publications, of which over 850 have appeared in Water Resources Research. We are fortunate to have insightful contributions from four groups of distinguished authors who discuss the reasons why the advanced research framework established in stochastic subsurface hydrology has not impacted the practice of groundwater flow and transport modeling and design significantly. There is reasonable consensus that a community effort aimed at developing "toolboxes" for applications of stochastic methods will make them more accessible and encourage practical applications.

Subsurface fate and transport of sulfamethoxazole, 4-nonylphenol, and 17β-estradiol

USGS Publications Warehouse

Barber, L.B.; Meyer, M.T.; LeBlanc, D.R.; Kolpin, Dana W.; Radley, Paul; Chapelle, F.; Rubio, F.

2008-01-01

Subsurface fate and transport of the antibiotic sulfamethoxazole (SX), the non-ionic surfactant degradation product 4-nonylphenol (NP), and the sex hormone 17β-estradiol (E2) were evaluated in a plume of contaminated groundwater at Cape Cod, Massachusetts, USA. The plume is the result of 60 years of wastewater treatment plant effluent disposal into rapid infiltration beds. Natural-gradient, in situ tracer experiments were used to evaluate subsurface transport of SX, NP, and E2 (injected at 300, 530, and 0.55 µg/L, respectively) relative to the conservative tracer bromide. Two geochemical zones were evaluated: (1) uncontaminated groundwater overlying the plume, and (2) contaminated groundwater within the plume that has recently become oxic after decades of anoxic conditions. The uncontaminated groundwater is characterized by a microbial community unacclimated to treated wastewater, whereas the contaminated groundwater is characterized by microbes acclimated to wastewater contaminants. Results from the tracer tests in both zones showed that the antibiotic SX was co-transported with the conservative tracer bromide, with little retardation or mass removal. In contrast, NP and E2, which are more hydrophobic and biodegradable, showed sorption (relative retardation factors ranged up to 5.9) and mass loss at both the uncontaminated and contaminated sites.

A software tool to assess uncertainty in transient-storage model parameters using Monte Carlo simulations

USGS Publications Warehouse

Ward, Adam S.; Kelleher, Christa A.; Mason, Seth J. K.; Wagener, Thorsten; McIntyre, Neil; McGlynn, Brian L.; Runkel, Robert L.; Payn, Robert A.

2017-01-01

Researchers and practitioners alike often need to understand and characterize how water and solutes move through a stream in terms of the relative importance of in-stream and near-stream storage and transport processes. In-channel and subsurface storage processes are highly variable in space and time and difficult to measure. Storage estimates are commonly obtained using transient-storage models (TSMs) of the experimentally obtained solute-tracer test data. The TSM equations represent key transport and storage processes with a suite of numerical parameters. Parameter values are estimated via inverse modeling, in which parameter values are iteratively changed until model simulations closely match observed solute-tracer data. Several investigators have shown that TSM parameter estimates can be highly uncertain. When this is the case, parameter values cannot be used reliably to interpret stream-reach functioning. However, authors of most TSM studies do not evaluate or report parameter certainty. Here, we present a software tool linked to the One-dimensional Transport with Inflow and Storage (OTIS) model that enables researchers to conduct uncertainty analyses via Monte-Carlo parameter sampling and to visualize uncertainty and sensitivity results. We demonstrate application of our tool to 2 case studies and compare our results to output obtained from more traditional implementation of the OTIS model. We conclude by suggesting best practices for transient-storage modeling and recommend that future applications of TSMs include assessments of parameter certainty to support comparisons and more reliable interpretations of transport processes.

Impact of Equatorial Waves on the Variability of Upwelling Process Along West Coast of India

NASA Astrophysics Data System (ADS)

Prakash, K. R.; Nigam, T.; Pant, V.

2017-12-01

Coastal upwelling is a seasonal phenomenon along the south eastern Arabian Sea (SEAS) due to favourable wind setup during Indian Summer Monsoon Season (June-September). This upwelling brings subsurface cold and nutrient rich water to the surface layers. The cold water transported northward by the altered along shore current of west coast of India in the post-monsoon season. The different climatological forcing of positive Indian Ocean Dipole (IOD) and normal years were utilised to simulate the upwelling off the west coast of India using a three dimensional Regional Ocean Modelling System (ROMS). Strength of upwelling and the northward transport were found to be weaken for positive IOD simulations as compared to normal years. Analysis suggests that the meridional wind stress weakening resulted into a decrease in strength of West India Coastal Current (WICC) and, therefore, reduced magnitude of offshore Ekman transport. The mixed layer heat budget calculation also supports the findings by showing dominated vertical process in comparison to net heat flux effect. The post-monsoon northward transport of cold water was found to be correlated with the coastally trapped downwelling Kelvin waves. These waves are the only remote forcing from the Bay of Bengal that reaches to the south-eastern Arabian Sea during the months of October-December. The composite of sea surface height anomalies for the positive IOD and normal years shows that the downwelling Kelwin wave was absent during October-December.

Mineral Precipitation in Fractures: Multiscale Imaging and Geochemical Modeling

NASA Astrophysics Data System (ADS)

Hajirezaie, S.; Peters, C. A.; Swift, A.; Sheets, J. M.; Cole, D. R.; Crandall, D.; Cheshire, M.; Stack, A. G.; Anovitz, L. M.

2017-12-01

For subsurface energy technologies such as geologic carbon sequestration, fractures are potential pathways for fluid migration from target formations. Highly permeable fractures may become sealed by mineral precipitation. In this study, we examined shale specimens with existing cemented fractures as natural analogues, using an array of imaging methods to characterize mineralogy and porosity at several spatial scales. In addition, we used reactive transport modeling to investigate geochemical conditions that can lead to extensive mineral precipitation and to simulate the impacts on fracture hydraulic properties. The naturally-cemented fractured rock specimens were from the Upper Wolfcamp formation in Texas, at 10,000 ft depth. The specimens were scanned using x-ray computed tomography (xCT) at resolution of 13 microns. The xCT images revealed an original fracture aperture of 1.9 mm filled with several distinct mineral phases and vuggy void regions, and the mineral phase volumes and surface areas were quantified and mapped in 3D. Specimens were thin-sectioned and examined at micron- and submicron-scales using petrographic microscopy (PM), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and small angle X-ray scattering (SAXS). Collectively these methods revealed crystals of dolomite as large as 900 microns in length overlain with a heterogeneous mixture of carbonate minerals including calcite, dolomite, and Fe-rich dolomite, interspersed at spatial scales as small as 5 microns. In addition, secondary precipitation of SiO2 was found to fill some of the void space. This multiscale imaging was used to inform the reactive transport modeling employed to examine the conditions that can cause the observed mineral precipitation in fractures at a larger scale. Two brines containing solutions that when mixed would lead to precipitation of various carbonate minerals were simulated as injectants into a fracture domain. In particular, the competing effects of transport dynamics and reaction kinetics were investigated in the context of profiles of the precipitated minerals and permeability behavior of the fracture flow path. This study contributes rich knowledge toward mastering the subsurface for energy production and storage and for the management of energy waste streams.

Nanoscale Controls on CO2-water-rock Interactions in Saline Reservoirs

NASA Astrophysics Data System (ADS)

Deyoreo, J.; Depaolo, D. J.

2009-12-01

It is becoming increasingly widely recognized that geologic sequestration of CO2, when combined with economical means of capture, may be one of the most effective approaches to reducing net CO2 emissions to the atmosphere over the next century. Injection of CO2 into saline geologic formations involves forcing a buoyant, low-viscosity fluid into a more dense, higher viscosity fluid. The difference in wetting properties of the two fluids, their partial miscibility, the fact that CO2 and H2O form an acid, and the heterogeneity of geologic formations combine to make the flow and transport details fascinating but difficult to fully characterize and predict. A major question is whether the flow of CO2 into subsurface formations, the efficiency of pore space filling, and the trapping efficiency can be not only predicted but controlled over the decades of injection that might be associated with the life of a power plant. The major technological gaps to controlling and ultimately sequestering subsurface CO2 can be traced to far-from-equilibrum processes that originate at the molecular and nanoscale, but are expressed as complex emergent behavior at larger scales. Essential knowledge gaps involve the effects of nanoscale confinement on material properties, flow and chemical reactions, the effects of nanoparticles, mineral surface dynamics, and microbiota on mineral dissolution/precipitation and fluid flow, and the dynamics of fluid-fluid and fluid-mineral interfaces. To address these scientific and technical challenges, the Energy Frontier Research Center recently established, involving collaboration between LBNL, ORNL, MIT, UC Berkeley, UC Davis and LLNL, will attempt to bring new approaches to the study of nanoscale phenomena in fluid-rock systems to bear on the problem of CO2 behavior in saline formations. The stated goal is to use molecular, nanoscale, and pore-network scale approaches to control flow, dissolution, and precipitation in deep subsurface rock formations to achieve the efficient filling of pore space while maximizing solubility and mineral trapping and reducing potential leakage. Advanced knowledge of these small-scale processes is an important step toward developing a next-generation predictive capability for reactive transport of CO2-brine systems. The Center involves scientists with expertise in hydrology, geochemistry, materials science, mineralogy, chemistry, microbiology, geophysics, and reactive transport modeling and simulation. This presentation will describe the initial stages of some of the research, which in total involves the use of synchrotron light sources, neutron scattering methods, NanoSIMS, molecular dynamics simulations, thermochemistry, molecular biology, nanotechnology, laboratory scale experiments, and advanced computation applied to flow and reactive transport in heterogeneous porous media. The Center for Nanoscale Control of Geologic CO2 key personnel: Director - D. DePaolo, Co-Director - J. DeYoreo; Research Area Leads - K. Knauss (LBNL), G. Waychunas (LBNL), J. Banfield (UCB/LBNL), A Navrotsky (UC Davis), F.J. Ryerson (LLNL); G. Sposito (UCB/LBNL), T. Tokunaga (LBNL), D. Cole (ORNL), C. Steefel (LBNL), D. Rothman (MIT), S. Pride (LBNL).

Impact of tropical cyclones on the intensity and phase propagation of fall Wyrtki jets

NASA Astrophysics Data System (ADS)

Sreenivas, P.; Chowdary, J. S.; Gnanaseelan, C.

2012-11-01

Observations and model simulations are used to study the impact of tropical cyclones (TC) on the fall Wyrtki jets (WJ). These strong narrow equatorial currents peak during November and play a vital role in the energy and mass transport in the tropical Indian Ocean (TIO). Maximum number of TCs is observed over TIO during November with longer than normal life span (8-15 days). These TCs enhance equatorial westerly winds (surface) and amplify monthly mean WJs (both at surface and subsurface) by 0.4 ms-1 (anomalies exceed 0.7 ms-1 during TC), which is about half of the climatological amplitude. Intensified WJs increase the heat content of eastern TIO and modulate air-sea interaction. It is also shown that movement of TCs is mainly responsible for the westward phase propagation of WJs, a previously unexplored mechanism. These features are evident in ECCO2 simulations as well.

FATE AND TRANSPORT OF MTBE AND OTHER GASOLINE COMPONENTS

EPA Science Inventory

This book chapter reviews the processes and interactions that control the transport and fate of MTBE and TBA in the subsurface. It describes the transport and fate of vapors of MTBE in the unsaturated zone, the partitioning of MTBE from gasoline spills directly into water, and t...

THE INTERPLAY BETWEEN GEOCHEMICAL REACTIONS AND ADVECTION-DISPERSION IN CONTAMINANT TRANSPORT AT A URANIUM MILL TAILINGS SITE

EPA Science Inventory

It is well known that the fate and transport of contaminants in the subsurface are controlled by complex processes including advection, dispersion-diffusion, and chemical reactions. However, the interplay between the physical transport processes and chemical reactions, and their...

Comparison of contaminant transport in agricultural drainage water and urban stormwater runoff

USDA-ARS?s Scientific Manuscript database

Transport of nitrogen and phosphorus from agricultural and urban landscapes to surface water bodies can cause adverse environmental impacts including hypoxia and harmful algal blooms. The main objective of this long-term study was to quantify and compare contaminant transport from a subsurface-drain...

MODELING MICROBIAL TRANSPORT IN SOIL AND GROUNDWATER: MICROBIOLOGISTS CAN ASSIST IN THE DEVELOPMENT OF MODELS OF CONTAMINANT TRANSPORT

EPA Science Inventory

A large body of literature describes the processes affecting the fate of microorganisms in the subsurface environment (i.e., soil and groundwater). The fate of microorganisms depends on two main components: survival and transport. other components must be considered when determin...

Quantifying subsurface hydrology effects on chemical transport in drainage ditches using a 20-meter flume

USDA-ARS?s Scientific Manuscript database

Agriculture drainage ditches serve as the veins of the Midwestern agricultural landscapes. The transport of chemical fertilizers and pesticides in these ditches affect the local and downstream ecosystems. Although much research has already been conducted on chemical transport in streams and drainage...

Transport of tylosin and tylosin-resistance genes in subsurface drainage water from manured fields

USDA-ARS?s Scientific Manuscript database

Animal agriculture appears to contribute to the spread of antibiotic resistance genes, but few studies have quantified gene transport in agricultural fields. The transport of tylosin, tylosin-resistance genes (erm B, F, A) and tylosin-resistant Enterococcus were measured in tile drainage water from ...

Landform Erosion and Volatile Redistribution on Ganymede and Callisto

NASA Technical Reports Server (NTRS)

Moore, Jeffrey Morgan; Howard, Alan D.; McKinnon, William B.; Schenk, Paul M.; Wood, Stephen E.

2009-01-01

We have been modeling landscape evolution on the Galilean satellites driven by volatile transport. Our work directly addresses some of the most fundamental issues pertinent to deciphering icy Galilean satellite geologic histories by employing techniques currently at the forefront of terrestrial, martian, and icy satellite landscape evolution studies [e.g., 1-6], including modeling of surface and subsurface energy and volatile exchanges, and computer simulation of long-term landform evolution by a variety of processes. A quantitative understanding of the expression and rates of landform erosion, and of volatile redistribution on landforms, is especially essential in interpreting endogenic landforms that have, in many cases, been significantly modified by erosion [e.g., 7-9].

Foam Transport in Porous Media - A Review

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Z. F.; Freedman, Vicky L.; Zhong, Lirong

2009-11-11

Amendment solutions with or without surfactants have been used to remove contaminants from soil. However, it has drawbacks such that the amendment solution often mobilizes the plume, and its movement is controlled by gravity and preferential flow paths. Foam is an emulsion-like, two-phase system in which gas cells are dispersed in a liquid and separated by thin liquid films called lamellae. Potential advantages of using foams in sub-surface remediation include providing better control on the volume of fluids injected, uniformity of contact, and the ability to contain the migration of contaminant laden liquids. It is expected that foam can servemore » as a carrier of amendments for vadose zone remediation, e.g., at the Hanford Site. As part of the U.S. Department of Energy’s EM-20 program, a numerical simulation capability will be added to the Subsurface Transport Over Multiple Phases (STOMP) flow simulator. The primary purpose of this document is to review the modeling approaches of foam transport in porous media. However, as an aid to understanding the simulation approaches, some experiments under unsaturated conditions and the processes of foam transport are also reviewed. Foam may be formed when the surfactant concentration is above the critical micelle concentration. There are two main types of foams – the ball foam (microfoam) and the polyhedral foam. The characteristics of bulk foam are described by the properties such as foam quality, texture, stability, density, surface tension, disjoining pressure, etc. Foam has been used to flush contaminants such as metals, organics, and nonaqueous phase liquids from unsaturated soil. Ball foam, or colloidal gas aphrons, reportedly have been used for soil flushing in contaminated site remediation and was found to be more efficient than surfactant solutions on the basis of weight of contaminant removed per gram of surfactant. Experiments also indicate that the polyhedral foam can be used to enhance soil remediation. The transport of foam in porous media is complicated in that the number of lamellae present governs flow characteristics such as viscosity, relative permeability, fluid distribution, and interactions between fluids. Hence, foam is a non-Newtonian fluid. During transport, foam destruction and formation occur. The net result of the two processes determines the foam texture (i.e., bubble density). Some of the foam may be trapped during transport. According to the impacts of the aqueous and gas flow rates, foam flow generally has two regimes – weak and strong foam. There is also a minimum pressure gradient to initiate foam flow and a critical capillary for foam to be sustained. Similar to other fluids, the transport of foam is described by Darcy’s law with the exception that the foam viscosity is variable. Three major approaches to modeling foam transport in porous media are the empirical, semi-empirical, and mechanistic methods. Mechanistic approaches can be complete in principal but may be difficult to obtain reliable parameters, whereas empirical and semi-empirical approaches can be limited by the detail used to describe foam rheology and mobility. Mechanistic approaches include the bubble population-balance model, the network/percolation theory, the catastrophe theory, and the filtration theory. Among these methods, all were developed for modeling polyhedral foam with the exception that the method based on the filtration theory was for the ball foam (microfoam).« less

An undercurrent off the east coast of Sri Lanka

NASA Astrophysics Data System (ADS)

Anutaliya, Arachaporn; Send, Uwe; McClean, Julie L.; Sprintall, Janet; Rainville, Luc; Lee, Craig M.; Priyantha Jinadasa, S. U.; Wallcraft, Alan J.; Metzger, E. Joseph

2017-12-01

The existence of a seasonally varying undercurrent along 8° N off the east coast of Sri Lanka is inferred from shipboard hydrography, Argo floats, glider measurements, and two ocean general circulation model simulations. Together, they reveal an undercurrent below 100-200 m flowing in the opposite direction to the surface current, which is most pronounced during boreal spring and summer and switches direction between these two seasons. The volume transport of the undercurrent (200-1000 m layer) can be more than 10 Sv in either direction, exceeding the transport of 1-6 Sv carried by the surface current (0-200 m layer). The undercurrent transports relatively fresher water southward during spring, while it advects more saline water northward along the east coast of Sri Lanka during summer. Although the undercurrent is potentially a pathway of salt exchange between the Arabian Sea and the Bay of Bengal, the observations and the ocean general circulation models suggest that the salinity contrast between seasons and between the boundary current and interior is less than 0.09 in the subsurface layer, suggesting a small salt transport by the undercurrent of less than 4 % of the salinity deficit in the Bay of Bengal.

Enhanced recharge rates and altered recharge sensitivity to climate variability through subsurface heterogeneity

NASA Astrophysics Data System (ADS)

Hartmann, Andreas; Gleeson, Tom; Wada, Yoshihide; Wagener, Thorsten

2017-04-01

Karst aquifers in Europe are an important source of fresh water contributing up to half of the total drinking water supply in some countries. Karstic groundwater recharge is one of the most important components of the water balance of karst systems as it feeds the karst aquifers. Presently available large-scale hydrological models do not consider karst heterogeneity adequately. Projections of current and potential future groundwater recharge of Europe's karst aquifers are therefore unclear. In this study we compare simulations of present (1991-2010) and future (2080-2099) recharge using two different models to simulate groundwater recharge processes. One model includes karst processes (subsurface heterogeneity, lateral flow and concentrated recharge), while the other is based on the conceptual understanding of common hydrological systems (homogeneous subsurface, saturation excess overland flow). Both models are driven by the bias-corrected 5 GCMs of the ISI-MIP project (RCP8.5). To further assess sensitivity of groundwater recharge to climate variability, we calculate the elasticity of recharge rates to annual precipitation, temperature and average intensity of rainfall events, which is the median change of recharge that corresponds to the median change of these climate variables within the present and future time period, respectively. Our model comparison shows that karst regions over Europe have enhanced recharge rates with greater inter-annual variability compared to those with more homogenous subsurface properties. Furthermore, the heterogeneous representation shows stronger elasticity concerning climate variability than the homogeneous subsurface representation. This difference tends to increase towards the future. Our results suggest that water management in regions with heterogeneous subsurface can expect a higher water availability than estimated by most of the current large-scale simulations, while measures should be taken to prepare for increasingly variable groundwater recharge rates.

Silica-coated titania and zirconia colloids for subsurface transport field experiments

USGS Publications Warehouse

Ryan, Joseph N.; Elimelech, Menachem; Baeseman, Jenny L.; Magelky, Robin D.

2000-01-01

Silica-coated titania (TiO2) and zirconia (ZrO2) colloids were synthesized in two sizes to provide easily traced mineral colloids for subsurface transport experiments. Electrophoretic mobility measurements showed that coating with silica imparted surface properties similar to pure silica to the titania and zirconia colloids. Measurements of steady electrophoretic mobility and size (by dynamic light scattering) over a 90-day period showed that the silica-coated colloids were stable to aggregation and loss of coating. A natural gradient field experiment conducted in an iron oxide-coated sand and gravel aquifer also showed that the surface properties of the silica-coated colloids were similar. Colloid transport was traced at μg L-1 concentrations by inductively coupled plasma-atomic emission spectroscopy measurement of Ti and Zr in acidified samples.

Fluid pressure responses for a Devil's Slide-like system: problem formulation and simulation

USGS Publications Warehouse

Thomas, Matthew A.; Loague, Keith; Voss, Clifford I.

2015-01-01

This study employs a hydrogeologic simulation approach to investigate subsurface fluid pressures for a landslide-prone section of the central California, USA, coast known as Devil's Slide. Understanding the relative changes in subsurface fluid pressures is important for systems, such as Devil's Slide, where slope creep can be interrupted by episodic slip events. Surface mapping, exploratory core, tunnel excavation records, and dip meter data were leveraged to conceptualize the parameter space for three-dimensional (3D) Devil's Slide-like simulations. Field observations (i.e. seepage meter, water retention, and infiltration experiments; well records; and piezometric data) and groundwater flow simulation (i.e. one-dimensional vertical, transient, and variably saturated) were used to design the boundary conditions for 3D Devil's Slide-like problems. Twenty-four simulations of steady-state saturated subsurface flow were conducted in a concept-development mode. Recharge, heterogeneity, and anisotropy are shown to increase fluid pressures for failure-prone locations by up to 18.1, 4.5, and 1.8% respectively. Previous estimates of slope stability, driven by simple water balances, are significantly improved upon with the fluid pressures reported here. The results, for a Devil's Slide-like system, provide a foundation for future investigations

MoMaS reactive transport benchmark using PFLOTRAN

NASA Astrophysics Data System (ADS)

Park, H.

2017-12-01

MoMaS benchmark was developed to enhance numerical simulation capability for reactive transport modeling in porous media. The benchmark was published in late September of 2009; it is not taken from a real chemical system, but realistic and numerically challenging tests. PFLOTRAN is a state-of-art massively parallel subsurface flow and reactive transport code that is being used in multiple nuclear waste repository projects at Sandia National Laboratories including Waste Isolation Pilot Plant and Used Fuel Disposition. MoMaS benchmark has three independent tests with easy, medium, and hard chemical complexity. This paper demonstrates how PFLOTRAN is applied to this benchmark exercise and shows results of the easy benchmark test case which includes mixing of aqueous components and surface complexation. Surface complexations consist of monodentate and bidentate reactions which introduces difficulty in defining selectivity coefficient if the reaction applies to a bulk reference volume. The selectivity coefficient becomes porosity dependent for bidentate reaction in heterogeneous porous media. The benchmark is solved by PFLOTRAN with minimal modification to address the issue and unit conversions were made properly to suit PFLOTRAN.

Evaluation of the BioVapor Model

EPA Science Inventory

The BioVapor model addresses transport and biodegradation of petroleum vapors in the subsurface. This presentation describes basic background on the nature and scientific basis of environmental transport models. It then describes a series of parameter uncertainty runs of the Bi...

A new solar cycle model including meridional circulation

NASA Technical Reports Server (NTRS)

Wang, Y.-M.; Sheeley, N. R., Jr.; Nash, A. G.

1991-01-01

A kinematic model is presented for the solar cycle which includes not only the transport of magnetic flux by supergranular diffusion and a poleward bulk flow at the sun's surface, but also the effects of turbulent diffusion and an equatorward 'return flow' beneath the surface. As in the earlier models of Babcock and Leighton, the rotational shearing of a subsurface poloidal field generates toroidal flux that erupts at the surface in the form of bipolar magnetic regions. However, such eruptions do not result in any net loss of toroidal flux from the sun (as assumed by Babcock and Leighton); instead, the large-scale toroidal field is destroyed both by 'unwinding' as the local poloidal field reverses its polarity, and by diffusion as the toroidal flux is transported equatorward by the subsurface flow and merged with its opposite hemisphere counterpart. The inclusion of meridional circulation allows stable oscillations of the magnetic field, accompanied by the equatorward progression of flux eruptions, to be achieved even in the absence of a radial gradient in the angular velocity. An illustrative case in which a subsurface flow speed of order 1 m/s and subsurface diffusion rate of order 10 sq km/s yield 22-yr oscillations in qualitative agreement with observations.

Methane clathrate stability zone variations and gas transport in the Martian subsurface

NASA Astrophysics Data System (ADS)

Karatekin, O.; Gloesener, E.; Dehant, V. M. A.; Temel, O.

2016-12-01

During the last years, several detections of methane in the atmosphere of Mars were reported from Earth-based and Mars orbit instruments with abundances ranging to tens of parts-per-billion by volume (ppbv). Recently, the Curiosity rover detected methane with background levels of 0.7 ppbv and episodic releases of 7 ppbv. Although the methane sources are still unknown, this gas may have been stored in reservoirs of clathrate hydrate in the Martian subsurface where thermodynamics conditions are favourable to their presence. Clathrate hydrates are crystalline compounds constituted by cages formed by hydrogen-bonded water molecules inside of which guest gas molecules are trapped. In this study, methane clathrate stability in the Martian subsurface are investigated and their temporal and spatial variations are studied. Present-day maps of methane clathrate stability zone are produced by coupling the stability conditions of methane clathrate with a subsurface model using the available observations such as the the thermal inertia derived from TES MGS data. Then, a gas transport model has been used to study the methane flux at the surface due to the diffusion of different plausible methane volumes released by clathrate hydrates at variable depths under the Martian surface.

The future of stochastic and upscaling methods in hydrogeology

NASA Astrophysics Data System (ADS)

Nœtinger, Benoît; Artus, Vincent; Zargar, Ghassem

2005-03-01

Geological formations are complex features resulting from geological, mechanical, and physico-chemical processes occurring over a very wide range of length scales and time scales. Transport phenomena ranging from the molecular scale to several hundreds of kilometers may influence the overall behavior of fluid flow in these formations. Heterogeneities that cover a large range of spatial scales play an essential role to channel fluid-flows, especially when they are coupled with non-linearities inherent to transport processes in porous media. These issues have considerable practical importance in groundwater management, and in the oil industry, particularly in solving new problems posed by projects concerned with the trapping of CO2 in the subsurface. In order to manage this complexity, one must be able to prioritize the respective influences of various relevant geological and physico-chemical phenomena occurring at several ranges of length and time scales as well as understand and use the increasingly rich and complex geostatistical models to provide realistic simulations of subsurface conditions. Multiscale simulation of fluid transport in these formations should help engineers to focus on the crucial phenomena that control the flow. This provides a natural framework to integrate data, to solve inverse problems involving large amounts of data, resulting in a reduction of the uncertainties of the subsurface description that must be evaluated. This allows in turn the making of more relevant practical decisions. In this paper, some perspectives on the development of upscaling approaches are presented, highlighting some recent multiscale concepts, discarding the fractured media case. Upscaling can be used as a useful framework to simultaneously manage scale-dependant problems, stochastic approaches and inverse problems. Actual and potential applications of upscaling to the elaboration of subsurface models constrained to observed data, and the management of uncertainties and sensitivity studies in a global multiscale framework is emphasized. In particular, upscaling can help in finding the parameters that control the overall behavior of the flow. Finally, upscaling approaches of non-linear transport equations appear as a new frontier in this area of research. Les formations géologiques sont des entités complexes résultant de processus géologiques, mécaniques et physico-chimiques, à de larges palettes d'échelles de temps et d'espace. Les phénomènes de transport, qui sont définis de l'échelle moléculaire à l'échelle pluri-kilométrique, peut influencer le comportement global des écoulements dans les formations. Les hétérogénéités qui recouvrent plusieurs échelles spatiales jouent un rôle essentiel pour les écoulements canaliser, et plus spécialement lorsque les écoulements sont couplés avec des non-linéarités inhérentes aux processus de transport dans les milieux poreux. Les problémes ont une importance pratique considérable sur la gestion de l'eau souterraine, et dans l'industrie du pétrole, et plus particulièrement pour la résolution de nouveaux problèmes po sés par les projets concernés par le piégeage du CO2 en subsurface. De manière à gérer cette complexité, il faut être capable de donner la priorité aux influences respectives des phénomènes géologiques et physico-chimiques utiles, intervenant à différentes échelles de temps et d'espace, et comprendre et utiliser les modèles géostatistiques, riches et complexes, permettant de se munir de simulations réalistes des conditions de sub-surface. Les simulations de l'écoulement à plusieurs échelles, dans ces formations, peuvent aider les ingénieurs à se focaliser sur les phénomènes cruciaux qui contrôlent l'écoulement. Ceci apporte un cadre de travail pour intégrer les données, résoudre les problèmes inverses impliquant une grande quantité de données, résultant en une réduction de l'incertitude de la description de la subsurface devant être évaluée. Ceci permet de prendre des décisions plus pertinentes et pratiques. Dans cet article, certaines perspectives sur le développement d'approches «upscaling» (changement d' échelle) sont présentées, mettant en lumière des concepts mutli-échelles récents, en mettant de côté le problème du milieu fracturé. L'upscalling peut être utilisé comme un cadre utile pour gérer simultanément les problèmes d'échelle de travail, les approches stochastiques et les problèmes inverses. Les applications effectives et potentielles de l'upscalling sont mis en lumière, dans l'élaboration de modèles de subsurface contraints aux données observées, et la gestion des incertitudes et des études de sensibilité dans un cadre multi-échelle global. L'upscaling peut, en particulier, aider à trouver les paramètres qui contrôlent le comportement global de l'écoulement. Finalement, les approches par upscaling des équations non-linéaires de transport apparaissent comme une nouvelle frontière dans cette aire de recherche. Las formaciones geológicas son entidades complejas que resultan de procesos geológicos, mecánicos, y físico-químicos que ocurren en un rango muy amplio de escalas espaciales y escalas temporales. Los procesos de transporte que varían de la escala molecular a varios cientos de kilómetros pueden influenciar el comportamiento global del flujo de fluido en estas formaciones. Las heterogeneidades que cubren un rango amplio de escalas espaciales juegan un papel esencial para canalizar flujos de fluidos, especialmente cuando están acoplados con no linealidades inherentes a procesos de transporte en medios porosos. Estos asuntos tienen importancia práctica considerable en la gestión de aguas subterráneas, y en la industria petrolera, particularmente en la solución de problemas nuevos ocasionados por proyectos relacionados con el entrampamiento de CO2 en el subsuelo. Para gestionar esta complejidad uno tiene que priorizar las influencias respectivas de varios fenómenos relevantes geológicos y físico-químicos que ocurren en varios rangos de escalas espaciales y escalas temporales así como entender y utilizar modelos geoestadísticos complejos y cada vez más acaudalados para aportar simulaciones realisticas de los condiciones del subsuelo. La simulación en escalas múltiples del transporte de fluidos en estas formaciones debería de ayudar a los ingenieros a enfocarse en fenómenos cruciales que controlan el flujo. Esto aporta un marco natural para integrar datos, resolver problemas inversos que involucran gran cantidad de datos, resultando en una reducción de las incertidumbres de la descripción del subsuelo que tiene que evaluarse. Esto permite a la vez tomar más decisiones practicas relevantes. En este artículo se presentan algunas perspectivas sobre el desarrollo de los enfoques de escala alta, resaltando algunos conceptos de escalas múltiples recientes, descartando el caso de medio fracturado. La escala alta puede utilizarse como un marco útil para manejar simultáneamente problemas dependientes de escala, enfoques estocásticos y problemas inversos. Se enfatiza las aplicaciones reales y potenciales de escala alta para la elaboración de modelos subsuperficiales confrontados con datos observados, y el manejo de incertidumbres y estudios de sensitividad en un marco global de escalas múltiples. En particular, la escala a lta puede ayudar a encontrar los parámetros que controlan el comportamiento global del flujo. Finalmente, los enfoques de escala alta de ecuaciones de transporte no lineal aparecen como una nueva frontera en esta área de la investigación.

Final Technical Report: Viral Infection of Subsurface Microorganisms and Metal/Radionuclide Transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weber, Karrie A.; Bender, Kelly S.; Li, Yusong

Microbially mediated metabolisms have been identified as a significant factor either directly or indirectly impacting the fate and transport of heavy metal/radionuclide contaminants. To date microorganisms have been isolated from contaminated environments. Examination of annotated finished genome sequences of many of these subsurface isolates from DOE sites, revealed evidence of prior viral infection. To date the role that viruses play influencing microbial mortality and the resulting community structure which directly influences biogeochemical cycling in soils and sedimentary environments remains poorly understood. The objective of this exploratory study was to investigate the role of viral infection of subsurface bacteria and themore » formation of contaminant-bearing viral particles. This objective was approached by examining the following working hypotheses: (i) subsurface microorganisms are susceptible to viral infections by the indigenous subsurface viral community, and (ii) viral surfaces will adsorb heavy metals and radionuclides. Our results have addressed basic research needed to accomplish the BER Long Term Measure to provide sufficient scientific understanding such that DOE sites would be able to incorporate coupled physical, chemical and biological processes into decision making for environmental remediation or natural attenuation and long-term stewardship by establishing viral-microbial relationships on the subsequent fate and transport of heavy metals and radionuclides. Here we demonstrated that viruses play a significant role in microbial mortality and community structure in terrestrial subsurface sedimentary systems. The production of viral-like particles within subsurface sediments in response to biostimulation with dissolved organic carbon and a terminal electron acceptor resulted in the production of viral-like particles. Organic carbon alone did not result in significant viral production and required the addition of a terminal electron acceptor (nitrate), indicating that nutrients are not limiting viral production, but rather substrates that can be converted into energy for host metabolism. Our results also revealed that cell abundance was not correlated to the mineralization of organic carbon, but rather viruses were positively correlated with carbon mineralization. This is a result of viral-mediated cell lysis and demonstrates that viruses are sensitive indicators of microbial activity. Viruses as an indicator of microbial activity was not unique to batch culture studies as results obtained from an in situ field experiment conducted at the DOE Old Rifle Field site. This study revealed that viral abundance increased in response to the injection of oxygenated groundwater and influx of dissolved organic carbon whereas cell abundance changes were minimal. However, the extent to which viral-mediated cell lysis alters organic matter pools subsequently influencing microbial community structure and biogeochemical function remains a critical question in subsurface biogeochemical cycling. The production of significant numbers of viruses in groundwater has implications for nanoparticulate metal as well as carbon transport in groundwater. We have demonstrated that the virus surface is reactive and will adsorb heavy metals. Thus viruses can promote colloidal contaminant mobility. Interestingly, the presence of heavy metals has a positive effect on infectivity of the phage, increasing phage infection which could lead to further production of viruses. Together, the results indicate that the sorption of metals to the surface of viruses could not only contribute to nanoparticulate metal as well as carbon transport but could also enhance infectivity further contributing to cell lysis which could subsequently influence biogeochemical cycling. As more viruses infect host microbial populations the high concentration of metals would enhance infection, resulting in cell lysis, and decreasing the metabolically active host population while yielding greater numbers of viruses capable of transporting contaminats. Additional studies will be necessary to further establish the potential relationship(s) between viruses, cells, carbon, and metals/radionuclides to provide sufficient scientific understanding to incorporate coupled physical, chemical, and biological processes into agent based and reactive transport models.« less

Experimental and simulated ultrasonic characterization of complex damage in fused silica.

PubMed

Martin, L Peter; Chambers, David H; Thomas, Graham H

2002-02-01

The growth of a laser-induced, surface damage site in a fused silica window was monitored by the ultrasonic pulse-echo technique. The laser damage was grown using 12-ns pulses of 1.053-microm wavelength light at a fluence of approximately 27 J/cm2. The ultrasonic data were acquired after each pulse of the laser beam for 19 pulses. In addition, optical images of the surface and subsurface damage shape were recorded after each pulse of the laser. The ultrasonic signal amplitude exhibited variations with the damage size, which were attributed to the subsurface morphology of the damage site. A mechanism for the observed ultrasonic data based on the interaction of the ultrasound with cracks radiating from the damage site was tested using two-dimensional numerical simulations. The simulated results exhibit qualitatively similar characteristics to the experimental data and demonstrate the usefulness of numerical simulation as an aid for ultrasonic signal interpretation. The observed sensitivity to subsurface morphology makes the ultrasonic methodology a promising tool for monitoring laser damage in large aperture laser optics used in fusion energy research.

STRUCTURE AND FUNCTION OF SUBSURFACE MICROBIAL COMMUNITIES AFFECTING RADIONUCLIDE TRANSPORT AND BIOIMMOBILIZATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joel E. Kostka; Lee Kerkhof; Kuk-Jeong Chin

2011-06-15

The objectives of this project were to: (1) isolate and characterize novel anaerobic prokaryotes from subsurface environments exposed to high levels of mixed contaminants (U(VI), nitrate, sulfate), (2) elucidate the diversity and distribution of metabolically active metal- and nitrate-reducing prokaryotes in subsurface sediments, and (3) determine the biotic and abiotic mechanisms linking electron transport processes (nitrate, Fe(III), and sulfate reduction) to radionuclide reduction and immobilization. Mechanisms of electron transport and U(VI) transformation were examined under near in situ conditions in sediment microcosms and in field investigations at the Oak Ridge Field Research Center (ORFRC), in Oak Ridge, Tennessee, where themore » subsurface is exposed to mixed contamination predominated by uranium and nitrate. A total of 20 publications (16 published or 'in press' and 4 in review), 10 invited talks, and 43 contributed seminars/ meeting presentations were completed during the past four years of the project. PI Kostka served on one proposal review panel each year for the U.S. DOE Office of Science during the four year project period. The PI leveraged funds from the state of Florida to purchase new instrumentation that aided the project. Support was also leveraged by the PI from the Joint Genome Institute in the form of two successful proposals for genome sequencing. Draft genomes are now available for two novel species isolated during our studies and 5 more genomes are in the pipeline. We effectively addressed each of the three project objectives and research highlights are provided. Task I - Isolation and characterization of novel anaerobes: (1) A wide range of pure cultures of metal-reducing bacteria, sulfate-reducing bacteria, and denitrifying bacteria (32 strains) were isolated from subsurface sediments of the Oak Ridge Field Research Center (ORFRC), where the subsurface is exposed to mixed contamination of uranium and nitrate. These isolates which are new to science all show high sequence identity to sequences retrieved from ORFRC subsurface. (2) Based on physiological and phylogenetic characterization, two new species of subsurface bacteria were described: the metal-reducer Geobacter daltonii, and the denitrifier Rhodanobacter denitrificans. (3) Strains isolated from the ORFRC show that Rhodanobacter species are well adapted to the contaminated subsurface. Strains 2APBS1 and 116-2 grow at high salt (3% NaCl), low pH (3.5) and tolerate high concentrations of nitrate (400mM) and nitrite (100mM). Strain 2APBS1 was demonstrated to grow at in situ acidic pHs down to 2.5. (4) R. denitrificans strain 2APBS1 is the first described Rhodanobacter species shown to denitrify. Nitrate is almost entirely converted to N2O, which may account for the large accumulation of N2O in the ORFRC subsurface. (5) G. daltonii, isolated from uranium- and hydrocarbon-contaminated subsurface sediments of the ORFRC, is the first organism from the subsurface clade of the genus Geobacter that is capable of growth on aromatic hydrocarbons. (6) High quality draft genome sequences and a complete eco-physiological description are completed for R. denitrificans strain 2APBS1 and G. daltonii strain FRC-32. (7) Given their demonstrated relevance to DOE remediation efforts and the availability of detailed genotypic/phenotypic characterization, Rhodanobacter denitrificans strain 2APBS1 and Geobacter daltonii strain FRC-32 represent ideal model organisms to provide a predictive understanding of subsurface microbial activity through metabolic modeling. Tasks II and III-Diversity and distribution of active anaerobes and Mechanisms linking electron transport and the fate of radionuclides: (1) Our study showed that members of genus Rhodanobacter and Geobacter are abundant and active in the uranium and nitrate contaminated subsurface. In the contaminant source zone of the Oak Ridge site, Rhodanobacter spp. are the predominant, active organisms detected (comprising 50% to 100% of rRNA detected). (2) We demonstrated for the first time that the function of microbial communities can be quantified in subsurface sediments using messenger RNA assays (molecular proxies) under in situ conditions. (3) Active Geobacteraceae were identified and phylogenetically characterized from the cDNA of messenger RNA extracted from ORFRC subsurface sediment cores. Multiple clone sequences were retrieved from G. uraniireducens, G. daltonii, and G. metallireducens. (4) Results show that Geobacter strain FRC-32 is capable of growth on benzoate, toluene and benzene as the electron donor, thereby providing evidence that this strain is physiologically distinct from other described members of the subsurface Geobacter clade. (5) Fe(III)-reducing bacteria transform structural Fe in clay minerals from their layer edges rather than from their basal surfaces.« less

Erosion, Transportation, and Deposition on Outer Solar System Satellites: Landform Evolution Modeling Studies

NASA Technical Reports Server (NTRS)

Moore, Jeffrey Morgan; Howard, Alan D.; Schenk, Paul M.

2013-01-01

Mass movement and landform degradation reduces topographic relief by moving surface materials to a lower gravitational potential. In addition to the obvious role of gravity, abrasive mechanical erosion plays a role, often in combination with the lowering of cohesion, which allows disaggregation of the relief-forming material. The identification of specific landform types associated with mass movement and landform degradation provides information about local sediment particle size and abundance and transportation processes. Generally, mass movements can be classified in terms of the particle sizes of the transported material and the speed the material moved during transport. Most degradation on outer planet satellites appears consistent with sliding or slumping, impact erosion, and regolith evolution. Some satellites, such as Callisto and perhaps Hyperion and Iapetus, have an appearance that implies that some additional process is at work, most likely sublimation-driven landform modification and mass wasting. A variant on this process is thermally driven frost segregation as seen on all three icy Galilean satellites and perhaps elsewhere. Titan is unique among outer planet satellites in that Aeolian and fluvial processes also operate to erode, transport, and deposit material. We will evaluate the sequence and extent of various landform-modifying erosional and volatile redistribution processes that have shaped these icy satellites using a 3-D model that simulates the following surface and subsurface processes: 1) sublimation and re-condensation of volatiles; 2) development of refractory lag deposits; 3) disaggregation and downward sloughing of surficial material; 4) radiative heating/cooling of the surface (including reflection, emission, and shadowing by other surface elements); 5) thermal diffusion; and 6) vapor diffusion. The model will provide explicit simulations of landform development and thusly predicts the topographic and volatile evolution of the surface and final landscape form as constrained by DEMs. We have also simulated fluvial and lacustrine modification of icy satellites landscapes to evaluate the degree to which fluvial erosion of representative initial landscapes can replicate the present Titan landscape.

A Reactive Transport Model for the Distribution and Age of Carbon in Soils and Sediments Through Direct Simulation of the Stable and Radiogenic Isotopologues

NASA Astrophysics Data System (ADS)

Druhan, J. L.; Lawrence, C. R.

2015-12-01

We present a reactive transport (RT) approach to link hydrologic transport, geochemical transformations and microbial activity influencing the magnitude and residence time of different carbon pools under variably saturated conditions. This model explicitly simulates the simultaneous transport, transformation, fractionation and decay of the three isotopes of carbon (12C, 13C and 14C) through a mechanistic framework. This is demonstrated with a modification of the CrunchTope multi-component RT software to extend the isotope-specific versions of both microbially-mediated and transition state theory (TST) rate laws to accommodate a three-isotope system. In addition both aqueous and solid phase decay of 14C are tracked, yielding in an implicit means of accounting for the 13C/12C correction in normalized radiocarbon ages. The capacity of this approach to quantify the storage and flux of carbon through subsurface compartments is demonstrated using two examples distinguished by timescale. The first considers a simplified flow path in which an influent containing labile organic carbon is distributed by biogenic reduction and mineralization into a suite of reaction products. The residence time of these pools and their characteristic stable isotope ratios are tracked through a variety of transient processes occurring at short timescales (e.g. months). These include a change in fluid flow rate, a limitation of ammonium supporting anabolic growth and an influx of oxygenated fluid. The second example considers the distribution of carbon over the timescale of soil development (e.g., millennia), using a dataset of stable isotope ratios and radiocarbon ages of organic and inorganic carbon present in both dissolved and solid phases from a soil chronosequence near Santa Cruz, CA. The results of these model simulations suggest the promise of this tool for improving our understanding of coupling between hydrologic transport and biogeochemical reactions in soils.

Mars Analog Rio Tinto Experiment (MARTE): 2003 Drilling Campaign to Search for a Subsurface Biosphere at Rio Tinto Spain

NASA Technical Reports Server (NTRS)

Stoker, Carol; Dunagan, Stephen; Stevens, Todd; Amils, Ricardo; Gomez-Elvira, Javier; Fernandez, David; Hall, James; Lynch, Kennda; Cannon, Howard; Zavaleta, Jhony

2004-01-01

The MARTE (Mars Astrobiology Research and Technology Experiment) project, an ASTEP field experiment, is exploring for a hypothesized subsurface anaerobic chemoautotrophic biosphere in the region of the Tinto River- or Rio Tinto- in southwestern Spain. It is also demonstrating technology needed to search for a subsurface biosphere on Mars. The project has three primary objectives: (1) search for and characterize subsurface life at Rio Tinto along with the physical and chemical properties and sustaining energy sources of its environment, (2) perform a high fidelity simulation of a robotic Mars drilling mission to search for life, and (3) demonstrate the drilling, sample handling, and instrument technologies relevant to searching for life on Mars. The simulation of the robotic drilling mission is guided by the results of the aseptic drilling campaign to search for life at Rio Tinto. This paper describes results of the first phase of the aseptic drilling campaign.

A locally conservative stabilized continuous Galerkin finite element method for two-phase flow in poroelastic subsurfaces

NASA Astrophysics Data System (ADS)

Deng, Q.; Ginting, V.; McCaskill, B.; Torsu, P.

2017-10-01

We study the application of a stabilized continuous Galerkin finite element method (CGFEM) in the simulation of multiphase flow in poroelastic subsurfaces. The system involves a nonlinear coupling between the fluid pressure, subsurface's deformation, and the fluid phase saturation, and as such, we represent this coupling through an iterative procedure. Spatial discretization of the poroelastic system employs the standard linear finite element in combination with a numerical diffusion term to maintain stability of the algebraic system. Furthermore, direct calculation of the normal velocities from pressure and deformation does not entail a locally conservative field. To alleviate this drawback, we propose an element based post-processing technique through which local conservation can be established. The performance of the method is validated through several examples illustrating the convergence of the method, the effectivity of the stabilization term, and the ability to achieve locally conservative normal velocities. Finally, the efficacy of the method is demonstrated through simulations of realistic multiphase flow in poroelastic subsurfaces.

The Development of 3d Sub-Surface Mapping Scheme and its Application to Martian Lobate Debris Aprons

NASA Astrophysics Data System (ADS)

Baik, H.; Kim, J.

2017-07-01

The Shallow Subsurface Radar (SHARAD), a sounding radar equipped on the Mars Reconnaissance Orbiter (MRO), has produced highly valuable information about the Martian subsurface. In particular, the complicated substructures of Mars such as polar deposit, pedestal crater and the other geomorphic features involving possible subsurface ice body has been successfully investigated by SHARAD. In this study, we established a 3D subsurface mapping strategy employing the multiple SHARAD profiles. A number of interpretation components of SHARAD signals were integrated into a subsurface mapping scheme using radargram information and topographic data, then applied over a few mid latitude Lobate Debris Aprons (LDAs). From the identified subsurface layers of LDA, and the GIS data base incorporating the other interpretation outcomes, we are expecting to trace the origin of LDAs. Also, the subsurface mapping scheme developed in this study will be further applied to other interesting Martian geological features such as inter crater structures, aeolian deposits and fluvial sediments. To achieve higher precision sub-surface mapping, the clutter simulation employing the high resolution topographic data and the upgraded clustering algorithms assuming multiple sub-surface layers will be also developed.

Subsurface energy storage and transport for solar-powered geysers on Triton

NASA Technical Reports Server (NTRS)

Kirk, Randolph L.; Soderblom, Laurence A.; Brown, Robert H.

1990-01-01

The location of active geyser-like eruptions and related features close to the current subsolar latitude on Triton suggests a solar energy source for these phenomena. Solid-state greenhouse calculations have shown that sunlight can generate substantially elevated subsurface temperatures. A variety of models for the storage of solar energy in a subgreenhouse layer and for the supply of gas and energy to a geyser are examined. 'Leaky greenhouse' models with only vertical gas transport are inconsistent with the observed upper limit on geyser radius of about 1.5 km. However, lateral transport of energy by gas flow in a porous N2 layer with a block size on the order of a meter can supply the required amount of gas to a source region about 1 km in radius. The decline of gas output to steady state may occur over a period comparable with the inferred active geyser lifetime of 5 earth years. The required subsurface permeability may be maintained by thermal fracturing of the residual N2 polar cap. A lower limit on geyser source radius of about 50 to 100 m predicted by a theory of negatively buoyant jets is not readily attained.

Subsurface transport of orthophosphate in five agricultural watersheds, USA

USGS Publications Warehouse

Domagalski, Joseph L.; Johnson, Henry M.

2011-01-01

Concentrations of dissolved orthophosphate (ortho P) in the unsaturated zone, groundwater, tile drains, and groundwater/stream water interfaces were assessed in five agricultural watersheds to determine the potential for subsurface transport. Concentrations of iron oxides were measured in the aquifer material and adsorption of ortho P on oxide surfaces was assessed by geochemical modeling. Attenuation of ortho P in these aquifers was attributed primarily to sorption onto iron oxides, and in one location onto clay minerals. Only one location showed a clear indication of phosphorus transport to a stream from groundwater discharge, although groundwater did contribute to the stream load elsewhere. Subsurface ortho P movement at a site in California resulted in a plume down gradient from orchards, which was attenuated by a 200 m thick riparian zone with natural vegetation. Iron oxides had an effect on phosphorus movement and concentrations at all locations, and groundwater chemistry, especially pH, exerted a major control on the amount of phosphorus adsorbed. Groundwater pH at a site in Maryland was below 5 and that resulted in complete sequestration of phosphorus and no movement toward the stream. Geochemical modeling indicated that as the surfaces approached saturation, groundwater concentrations of ortho P rise rapidly.

Bead-Based Microfluidic Sediment Analogues: Fabrication and Colloid Transport.

PubMed

Guo, Yang; Huang, Jingwei; Xiao, Feng; Yin, Xiaolong; Chun, Jaehun; Um, Wooyong; Neeves, Keith B; Wu, Ning

2016-09-13

Mobile colloids can act as carriers for low-solubility contaminants in the environment. However, the dominant mechanism for this colloid-facilitated transport of chemicals is unclear. Therefore, we developed a bead-based microfluidic platform of sediment analogues and measured both single and population transport of model colloids. The porous medium is assembled through a bead-by-bead injection method. This approach has the versatility to build both electrostatically homogeneous and heterogeneous media at the pore scale. A T-junction at the exit also allowed for encapsulation and enumeration of colloids effluent at single particle resolution to give population dynamics. Tortuosity calculated from pore-scale trajectory analysis and its comparison with lattice Boltzmann simulations revealed that transport of colloids was influenced by the size exclusion effect. The porous media packed by positively and negatively charged beads into two layers showed distinctive colloidal particle retention and significant remobilization and re-adsorption of particles during water flushing. We demonstrated the potential of our method to fabricate porous media with surface heterogeneities at the pore scale. With both single and population dynamics measurement, our platform has the potential to connect pore-scale and macroscale colloid transport on a lab scale and to quantify the impact of grain surface heterogeneities that are natural in the subsurface environment.

Heat and mass transport during a groundwater replenishment trial in a highly heterogeneous aquifer

NASA Astrophysics Data System (ADS)

Seibert, Simone; Prommer, Henning; Siade, Adam; Harris, Brett; Trefry, Mike; Martin, Michael

2014-12-01

Changes in subsurface temperature distribution resulting from the injection of fluids into aquifers may impact physiochemical and microbial processes as well as basin resource management strategies. We have completed a 2 year field trial in a hydrogeologically and geochemically heterogeneous aquifer below Perth, Western Australia in which highly treated wastewater was injected for large-scale groundwater replenishment. During the trial, chloride and temperature data were collected from conventional monitoring wells and by time-lapse temperature logging. We used a joint inversion of these solute tracer and temperature data to parameterize a numerical flow and multispecies transport model and to analyze the solute and heat propagation characteristics that prevailed during the trial. The simulation results illustrate that while solute transport is largely confined to the most permeable lithological units, heat transport was also affected by heat exchange with lithological units that have a much lower hydraulic conductivity. Heat transfer by heat conduction was found to significantly influence the complex temporal and spatial temperature distribution, especially with growing radial distance and in aquifer sequences with a heterogeneous hydraulic conductivity distribution. We attempted to estimate spatially varying thermal transport parameters during the data inversion to illustrate the anticipated correlations of these parameters with lithological heterogeneities, but estimates could not be uniquely determined on the basis of the collected data.

Effect of electrochemical corrosion on the subsurface microstructure evolution of a CoCrMo alloy in albumin containing environment

NASA Astrophysics Data System (ADS)

Wang, Zhongwei; Yan, Yu; Su, Yanjing; Qiao, Lijie

2017-06-01

The subsurface microstructures of metallic implants play a key role in bio-tribocorrosion. Due to wear or change of local environment, the implant surface can have inhomogeneous electrochemical corrosion properties. In this work, the effect of electrochemical corrosion conditions on the subsurface microstructure evolution of CoCrMo alloys for artificial joints was investigated. Transmission electron microscope (TEM) was employed to observe the subsurface microstructures of worn areas at different applied potentials in a simulated physiological solution. The results showed that applied potentials could affect the severity of the subsurface deformation not only by changing the surface passivation but also affecting the adsorption of protein on the alloy surface.

El Nino and the Global Ocean Observing System

NASA Technical Reports Server (NTRS)

Halpern, David

1999-01-01

Until a decade ago, an often-quoted expression in oceanography is that very few observations are recorded throughout the ocean. Now, the sentiment is no longer valid in the uppermost 10% of the tropical Pacific Ocean nor at the surface of the global ocean. One of the remarkable legacies of the 1985-1994 Tropical Oceans Global Atmosphere (TOGA) Program is an in situ marine meteorological and upper oceanographic measurement array throughout the equatorial Pacific to monitor the development and maintenance of El Nino episodes. The TOGA Observing System, which initially consisted of moored- and drifting-buoy arrays, a network of commercial ships, and coastal and island stations, now includes a constellation of satellites and data-assimilating models to simulate subsurface oceanographic conditions. The El Nino and La Nina tropical Pacific Ocean observing system represents the initial phase of an integrated global ocean observing system. Remarkable improvements have been made in ocean model simulation of subsurface currents, but some problems persist. For example, the simulation of the South Equatorial Current (SEC) remains an important challenge in the 2S-2N Pacific equatorial wave guide. During El Nino the SEC at the equator is reduced and sometimes the direction is reversed, becoming eastward. Both conditions allow warm water stored in the western Pacific to invade the eastern region, creating an El Nino episode. Assimilation of data is a tenet of faith to correct simulation errors caused by deficiencies in surface fluxes (especially wind stress) and parameterizations of subgrid-scale physical processes. In the first of two numerical experiments, the Pacific SEC was simulated with and without assimilation of subsurface temperature data. Along the equator, a very weak SEC occurred throughout the eastern Pacific, independent of assimilation of data. However, as displayed in the diagram, in the western Pacific there was no satisfactory agreement between the two simulations. To help determine reliability of the simulated SEC in the western Pacific, current measurements recorded during the 9-19 October 1994 voyage of the French research vessel L'Atalante are also shown in the diagram. With data assimilation, the simulated SEC was in much better agreement with L'Atalante observations. The simulated SEC with data assimilation was far from perfect, in part because of the sparsity of subsurface temperature observations. In the next experiment, TOPEX/POSEIDON sea surface height data in combination with subsurface temperatures will be assimilated to assess further improvement of the simulation of the SEC.

BACTERIAL TRANSPORT THROUGH HOMOGENEOUS SOIL

EPA Science Inventory

The transport of microorganisms in soils is of major importance for bioremediation of subsurface polluted zones and for pollution of groundwater with pathogens. A procedure for evaluating the relative mobility and recovery of bacteria in the soil matrix was developed. In the meth...

USING SUBSURFACE TRANSPORT RESEARCH TO ACHIEVE AGENCY OUTCOMES

EPA Science Inventory

Gasoline leaks from underground storage tanks can cause ground water contamination because there are a number of organic chemicals in gasoline. These chemicals have varying properties that influence how far contamination extends from the release. Research on transport of these ...

Implementation of gINT software at the Virginia Department of Transportation.

DOT National Transportation Integrated Search

2008-01-01

A set of software tools was developed to enable staff of the Virginia Department of Transportation (VDOT) and consultants to streamline processing of subsurface exploration data. Built around the gINT program (geotechnical database and graphics packa...

BioVapor Model Evaluation (St. Louis, MO)

EPA Science Inventory

The BioVapor model addresses transport and biodegradation of petroleum vapors in the subsurface. This presentation describes basic background on the nature and scientific basis of environmental transport models. It then describes a series of parameter uncertainty runs of the Bi...

SELECTION AND CALIBRATION OF SUBSURFACE REACTIVE TRANSPORT MODELS USING A SURROGATE-MODEL APPROACH

EPA Science Inventory

While standard techniques for uncertainty analysis have been successfully applied to groundwater flow models, extension to reactive transport is frustrated by numerous difficulties, including excessive computational burden and parameter non-uniqueness. This research introduces a...

APPROXIMATE MULTIPHASE FLOW MODELING BY CHARACTERISTIC METHODS

EPA Science Inventory

The flow of petroleum hydrocarbons, organic solvents and other liquids that are immiscible with water presents the nation with some of the most difficult subsurface remediation problems. One aspect of contaminant transport associated releases of such liquids is the transport as a...

Structural adjustment for accurate conditioning in large-scale subsurface systems

NASA Astrophysics Data System (ADS)

Tahmasebi, Pejman

2017-03-01

Most of the current subsurface simulation approaches consider a priority list for honoring the well and any other auxiliary data, and eventually adopt a middle ground between the quality of the model and conditioning it to hard data. However, as the number of datasets increases, such methods often produce undesirable features in the subsurface model. Due to their high flexibility, subsurface modeling based on training images (TIs) is becoming popular. Providing comprehensive TIs remains, however, an outstanding problem. In addition, identifying a pattern similar to those in the TI that honors the well and other conditioning data is often difficult. Moreover, the current subsurface modeling approaches do not account for small perturbations that may occur in a subsurface system. Such perturbations are active in most of the depositional systems. In this paper, a new methodology is presented that is based on an irregular gridding scheme that accounts for incomplete TIs and minor offsets. Use of the methodology enables one to use a small or incomplete TI and adaptively change the patterns in the simulation grid in order to simultaneously honor the well data and take into account the effect of the local offsets. Furthermore, the proposed method was used on various complex process-based models and their structures are deformed for matching with the conditioning point data. The accuracy and robustness of the proposed algorithm are successfully demonstrated by applying it to models of several complex examples.

Modeling of Near-Surface Leakage and Seepage of CO2 for Risk Characterization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oldenburg, Curtis M.; Unger, Andre A.J.

2004-02-18

The injection of carbon dioxide (CO2) into deep geologic carbon sequestration sites entails risk that CO2 will leak away from the primary storage formation and migrate upwards to the unsaturated zone from which it can seep out of the ground. We have developed a coupled modeling framework called T2CA for simulating CO2 leakage and seepage in the subsurface and in the atmospheric surface layer. The results of model simulations can be used to calculate the two key health, safety, and environmental (HSE) risk drivers, namely CO2 seepage flux and nearsurface CO2 concentrations. Sensitivity studies for a subsurface system with amore » thick unsaturated zone show limited leakage attenuation resulting in correspondingly large CO2 concentrations in the shallow subsurface. Large CO2 concentrations in the shallow subsurface present a risk to plant and tree roots, and to humans and other animals in subsurface structures such as basements or utility vaults. Whereas CO2 concentrations in the subsurface can be high, surfacelayer winds reduce CO2 concentrations to low levels for the fluxes investigated. We recommend more verification and case studies be carried out with T2CA, along with the development of extensions to handle additional scenarios such as calm conditions, topographic effects, and catastrophic surface-layer discharge events.« less

Surface segregation in a binary mixture of ionic liquids: Comparison between high-resolution RBS measurements and moleculardynamics simulations.

PubMed

Nakajima, Kaoru; Nakanishi, Shunto; Chval, Zdeněk; Lísal, Martin; Kimura, Kenji

2016-11-14

Surface structure of equimolar mixture of 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C 2 C 1 Im][Tf 2 N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C 2 C 1 Im][BF 4 ]) is studied using high-resolution Rutherford backscattering spectroscopy (HRBS) and molecular dynamics (MD) simulations. Both HRBS and MD simulations show enrichment of [Tf 2 N] in the first molecular layer although the degree of enrichment observed by HRBS is more pronounced than that predicted by the MD simulation. In the subsurface region, MD simulation shows a small depletion of [Tf 2 N] while HRBS shows a small enrichment here. This discrepancy is partially attributed to the artifact of the MD simulations. Since the number of each ion is fixed in a finite-size simulation box, surface enrichment of particular ion results in its artificial depletion in the subsurface region.

Surface segregation in a binary mixture of ionic liquids: Comparison between high-resolution RBS measurements and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Nakajima, Kaoru; Nakanishi, Shunto; Chval, Zdeněk; Lísal, Martin; Kimura, Kenji

2016-11-01

Surface structure of equimolar mixture of 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C2C1Im][Tf2N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C2C1Im][BF4]) is studied using high-resolution Rutherford backscattering spectroscopy (HRBS) and molecular dynamics (MD) simulations. Both HRBS and MD simulations show enrichment of [Tf2N] in the first molecular layer although the degree of enrichment observed by HRBS is more pronounced than that predicted by the MD simulation. In the subsurface region, MD simulation shows a small depletion of [Tf2N] while HRBS shows a small enrichment here. This discrepancy is partially attributed to the artifact of the MD simulations. Since the number of each ion is fixed in a finite-size simulation box, surface enrichment of particular ion results in its artificial depletion in the subsurface region.

Effects of cell surface characteristics and manure-application practices on Escherichia coli populations in the subsurface: A three-farm study

NASA Astrophysics Data System (ADS)

Salvucci, A. E.; Elton, M.; Siler, J. D.; Zhang, W.; Richards, B. K.; Geohring, L. D.; Warnick, L. D.; Hay, A. G.; Steenhuis, T.

2010-12-01

The introduction of microbial pathogens into the environment from untreated manure represents a threat to water quality and human health. Thus, understanding the effect of manure management strategies is imperative to effectively mitigate the inadvertent release of pathogens, particularly in subsurface environments where they can be transported through macropores to the groundwater or through agricultural tile line to open water bodies. The production of cell-surface biomolecules is also suspected to play an important role in the environmental survival and transport of enterobacterial pathogens. This study collected Escherichia coli samples from three dairy farms with artificial tile drainage systems and active manure spreading in the Central New York region over a three-month period. Sampling targeted four potential source locations on each farm: (i) cow housing, (ii) manure storage facilities, (iii) field soil, and (iv) subsurface drainage effluent. Over 2800 E. coli isolates were recovered and consequently analyzed for the cell surface components, cellulose and curli, traits associated with increased environmental survival, altered transport and pathogenicity. The E. coli isolates from locations i-iii displayed highly variable curli and cellulose-producing communities, while isolates collected from subsurface runoff on each farm had stable curli and cellulose production communities over all sampling dates. Furthermore, the method of manure application to the fields influenced the population characteristics found in drainage effluent isolates. Incorporation of manure into the soil was correlated to isolate populations largely deficient of curli and cellulose; whereas farms that only surface-applied manure were correlated to isolate populations of high curli and cellulose production. The production of curli and cellulose has previously been shown to be a response to environmental stress on the cell. Therefore, incorporation of manure directly into the soil appears to minimize environmental stresses, like UV radiation, desiccation and temperature fluctuation, typically found on the soil surface. Our findings indicate that E. coli strains above the surface are largely diverse, until they enter subsurface environments where specific extracellular characteristics are likely advantageous for survival and/or transport.

Reoxidation of estuarine sediments during simulated resuspension events: Effects on nutrient and trace metal mobilisation

NASA Astrophysics Data System (ADS)

Vidal-Durà, Andrea; Burke, Ian T.; Stewart, Douglas I.; Mortimer, Robert J. G.

2018-07-01

Estuarine environments are considered to be nutrient buffer systems as they regulate the delivery of nutrients from rivers to the ocean. In the Humber Estuary (UK) seawater and freshwater mixing during tidal cycles leads to the mobilisation of oxic surface sediments (0-1 cm). However, less frequent seasonal events can also mobilise anoxic subsurface (5-10 cm) sediments, which may have further implications for the estuarine geochemistry. A series of batch experiments were carried out on surface and subsurface sediments taken from along the salinity gradient of the Humber Estuary. The aim was to investigate the geochemical processes driving major element (N, Fe, S, and Mn) redox cycling and trace metal behaviour during simulated resuspension events. The magnitude of major nutrient and metal release was significantly greater during the resuspension of outer estuarine sediments rather than from inner estuarine sediments. When comparing resuspension of surface versus subsurface sediment, only the outer estuary experiments showed significant differences in major nutrient behaviour with sediment depth. In general, any ammonium, manganese and trace metals (Cu and Zn) released during the resuspension experiments were rapidly removed from solution as new sorption sites (i.e. Fe/Mn oxyhydroxides) formed. Therefore Humber estuary sediments showed a scavenging capacity for these dissolved species and hence may act as an ultimate sink for these elements. Due to the larger aerial extent of the outer estuary intertidal mudflats in comparison with the inner estuary area, the mobilisation of the outer estuary sediments (more reducing and richer in sulphides and iron) may have a greater impact on the transport and cycling of nutrients and trace metals. Climate change-associated sea level rise combined with an increasing frequency of major storm events in temperate zones, which are more likely to mobilise deeper sediment regions, will impact the nutrient and metal inputs to the coastal waters, and therefore enhance the likelihood of eutrophication in this environment.

Effect of Selected Modeling Assumptions on Subsurface Radionuclide Transport Projections for the Potential Environmental Management Disposal Facility at Oak Ridge, Tennessee

DOE Office of Scientific and Technical Information (OSTI.GOV)

Painter, Scott L.

2016-06-28

The Department of Energy’s Office of Environmental Management recently revised a Remedial Investigation/ Feasibility Study (RI/FS) that included an analysis of subsurface radionuclide transport at a potential new Environmental Management Disposal Facility (EMDF) in East Bear Creek Valley near Oak Ridge, Tennessee. The effect of three simplifying assumptions used in the RI/FS analyses are investigated using the same subsurface pathway conceptualization but with more flexible modeling tools. Neglect of vadose zone dispersion was found to be conservative or non-conservative, depending on the retarded travel time and the half-life. For a given equilibrium distribution coefficient, a relatively narrow range of half-lifemore » was identified for which neglect of vadose zone transport is non-conservative and radionuclide discharge into surface water is non-negligible. However, there are two additional conservative simplifications in the reference case that compensate for the non-conservative effect of neglecting vadose zone dispersion: the use of a steady infiltration rate and vadose zone velocity, and the way equilibrium sorption is used to represent transport in the fractured material of the saturated aquifer. With more realistic representations of all three processes, the RI/FS reference case was found to either provide a reasonably good approximation to the peak concentration or was significantly conservative (pessimistic) for all parameter combinations considered.« less

BASIMO - Borehole Heat Exchanger Array Simulation and Optimization Tool

NASA Astrophysics Data System (ADS)

Schulte, Daniel O.; Bastian, Welsch; Wolfram, Rühaak; Kristian, Bär; Ingo, Sass

2017-04-01

Arrays of borehole heat exchangers are an increasingly popular source for renewable energy. Furthermore, they can serve as borehole thermal energy storage (BTES) systems for seasonally fluctuating heat sources like solar thermal energy or district heating grids. The high temperature level of these heat sources prohibits the use of the shallow subsurface for environmental reasons. Therefore, deeper reservoirs have to be accessed instead. The increased depth of the systems results in high investment costs and has hindered the implementation of this technology until now. Therefore, research of medium deep BTES systems relies on numerical simulation models. Current simulation tools cannot - or only to some extent - describe key features like partly insulated boreholes unless they run fully discretized models of the borehole heat exchangers. However, fully discretized models often come at a high computational cost, especially for large arrays of borehole heat exchangers. We give an update on the development of BASIMO: a tool, which uses one dimensional thermal resistance and capacity models for the borehole heat exchangers coupled with a numerical finite element model for the subsurface heat transport in a dual-continuum approach. An unstructured tetrahedral mesh bypasses the limitations of structured grids for borehole path geometries, while the thermal resistance and capacity model is improved to account for borehole heat exchanger properties changing with depth. Thereby, partly insulated boreholes can be considered in the model. Furthermore, BASIMO can be used to improve the design of BTES systems: the tool allows for automated parameter variations and is readily coupled to other code like mathematical optimization algorithms. Optimization can be used to determine the required minimum system size or to increase the system performance.

Glaciation and regional groundwater flow in the Fennoscandian shield

USGS Publications Warehouse

Provost, A.M.; Voss, C.I.; Neuzil, C.E.

2012-01-01

Regional-scale groundwater flow modeling of the Fennoscandian shield suggests that groundwater flow can be strongly affected by future climate change and glaciation. We considered variable-density groundwater flow in a 1500-km-long and approximately 10-km-deep cross-section through southern Sweden. Groundwater flow and shield brine transport in the cross-sectional model were analyzed under projected surface conditions for the next 140 ka. Simulations suggest that blockage of recharge and discharge by low-permeability permafrost or cold-based ice causes sinking of brine and consequent freshening of near-surface water in areas of natural discharge. Although recharge of basal meltwater is limited by the requirement that water pressure at the base of the ice sheet not exceed the pressure exerted by the weight of the ice, warm-based ice with basal melting creates a potential for groundwater recharge rates much larger than those of present, ice-free conditions. In the simulations, regional-scale redistribution of recharged water by subsurface flow is minor over the duration of a glacial advance (approximately 10 ka). During glacial retreat, significant upward flow of groundwater may occur below the ice sheet owing to pressure release. If the mechanical loading efficiency of the rocks is high, both subsurface penetration of meltwater during glacial advance and up-flow during glacial retreat are reduced because of loading-induced pressure changes. The maximum rate of groundwater discharge in the simulations occurs at the receding ice margin, and some discharge occurs below incursive postglacial seas. Recharge of basal meltwater could decrease the concentration of dissolved solids significantly below present-day levels at depths of up to several kilometers and may bring oxygenated conditions to an otherwise reducing chemical environment for periods exceeding 10 ka.

Modeling subsurface stormflow initiation in low-relief landscapes

NASA Astrophysics Data System (ADS)

Hopp, Luisa; Vaché, Kellie B.; Rhett Jackson, C.; McDonnell, Jeffrey J.

2015-04-01

Shallow lateral subsurface flow as a runoff generating mechanism at the hillslope scale has mostly been studied in steeper terrain with typical hillside angles of 10 - 45 degrees. These studies have shown that subsurface stormflow is often initiated at the interface between a permeable upper soil layer and a lower conductivity impeding layer, e.g. a B horizon or bedrock. Many studies have identified thresholds of event size and soil moisture states that need to be exceeded before subsurface stormflow is initiated. However, subsurface stormflow generation on low-relief hillslopes has been much less studied. Here we present a modeling study that investigates the initiation of subsurface stormflow on low-relief hillslopes in the Upper Coastal Plain of South Carolina, USA. Hillslopes in this region typically have slope angles of 2-5 degrees. Topsoils are sandy, underlain by a low-conductivity sandy clay loam Bt horizon. Subsurface stormflow has only been intercepted occasionally in a 120 m long trench, and often subsurface flow was not well correlated with stream signals, suggesting a disconnect between subsurface flow on the hillslopes and stream flow. We therefore used a hydrologic model to better understand which conditions promote the initiation of subsurface flow in this landscape, addressing following questions: Is there a threshold event size and soil moisture state for producing lateral subsurface flow? What role does the spatial pattern of depth to the impeding clay layer play for subsurface stormflow dynamics? We reproduced a section of a hillslope, for which high-resolution topographic data and depth to clay measurements were available, in the hydrologic model HYDRUS-3D. Soil hydraulic parameters were based on experimentally-derived data. The threshold analysis was first performed using hourly climate data records for 2009-2010 from the study site to drive the simulation. For this period also trench measurements of subsurface flow were available. In addition, we also ran a longer-term simulation, using daily climate data for a nine year period to include more variable climate conditions in the threshold analysis. The model captured the observed subsurface flow instances very well. The threshold analysis indicated that the occurrence of subsurface stormflow uncommon, with a large proportion of the water perching above the clay layer percolating vertically into the clay layer. Event sizes of approximately 70-80 mm were required for initiating subsurface stormflow. The hourly data from 2009-2010 was subsequently used to test if the actual spatial distribution of depth to clay is a major control for the occurrence and magnitude of lateral subsurface flow. Results suggest that in this low-relief landscape also a spatially uniform mean depth to clay reproduces well the hydrologic behavior.

Elements of complexity in subsurface modeling, exemplified with three case studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freedman, Vicky L.; Truex, Michael J.; Rockhold, Mark

2017-04-03

There are complexity elements to consider when applying subsurface flow and transport models to support environmental analyses. Modelers balance the benefits and costs of modeling along the spectrum of complexity, taking into account the attributes of more simple models (e.g., lower cost, faster execution, easier to explain, less mechanistic) and the attributes of more complex models (higher cost, slower execution, harder to explain, more mechanistic and technically defensible). In this paper, modeling complexity is examined with respect to considering this balance. The discussion of modeling complexity is organized into three primary elements: 1) modeling approach, 2) description of process, andmore » 3) description of heterogeneity. Three examples are used to examine these complexity elements. Two of the examples use simulations generated from a complex model to develop simpler models for efficient use in model applications. The first example is designed to support performance evaluation of soil vapor extraction remediation in terms of groundwater protection. The second example investigates the importance of simulating different categories of geochemical reactions for carbon sequestration and selecting appropriate simplifications for use in evaluating sequestration scenarios. In the third example, the modeling history for a uranium-contaminated site demonstrates that conservative parameter estimates were inadequate surrogates for complex, critical processes and there is discussion on the selection of more appropriate model complexity for this application. All three examples highlight how complexity considerations are essential to create scientifically defensible models that achieve a balance between model simplification and complexity.« less

Role of surface and subsurface lateral water flows on summer precipitation in a complex terrain region: A WRF-Hydro case-study for Southern Germany

NASA Astrophysics Data System (ADS)

Rummler, Thomas; Arnault, Joel; Gochis, David; Kunstmann, Harald

2017-04-01

Recent developments in hydrometeorological modeling aim towards more sophisticated treatment of terrestrial hydrologic processes. The standard version of the Weather Research and Forecasting (WRF) model describes terrestrial water transport as a purely vertical process. The hydrologically enhanced version of WRF, namely WRF-Hydro, does account for lateral terrestrial water flows, which allows for a more comprehensive process description of the interdependencies between water- and energy fluxes at the land-atmosphere interface. In this study, WRF and WRF-Hydro are applied to the Bavarian Alpine region in southern Germany, a complex terrain landscape in a relatively humid, mid-latitude climate. Simulation results are validated with gridded and station observation of precipitation, temperature and river discharge. Differences between WRF and WRF-Hydro results are investigated with a joint atmospheric-terrestrial water budget analysis. Changes in the partitioning in (near-) surface runoff and percolation are prominent. However, values for evapotranspiration ET feature only marginal variations, suggesting that soil moisture content is not a limiting factor of ET in this specific region. Simulated precipitation fields during isolated summertime events still show appreciable differences, while differences in large-scale, multi-day rainy periods are less substantial. These differences are mainly related to differences in the moisture in- and outflow terms of the atmospheric water budget induced by the surface and sub-surface lateral redistribution of soil moisture in WRF-Hydro.

Elements of complexity in subsurface modeling, exemplified with three case studies

NASA Astrophysics Data System (ADS)

Freedman, Vicky L.; Truex, Michael J.; Rockhold, Mark L.; Bacon, Diana H.; Freshley, Mark D.; Wellman, Dawn M.

2017-09-01

There are complexity elements to consider when applying subsurface flow and transport models to support environmental analyses. Modelers balance the benefits and costs of modeling along the spectrum of complexity, taking into account the attributes of more simple models (e.g., lower cost, faster execution, easier to explain, less mechanistic) and the attributes of more complex models (higher cost, slower execution, harder to explain, more mechanistic and technically defensible). In this report, modeling complexity is examined with respect to considering this balance. The discussion of modeling complexity is organized into three primary elements: (1) modeling approach, (2) description of process, and (3) description of heterogeneity. Three examples are used to examine these complexity elements. Two of the examples use simulations generated from a complex model to develop simpler models for efficient use in model applications. The first example is designed to support performance evaluation of soil-vapor-extraction remediation in terms of groundwater protection. The second example investigates the importance of simulating different categories of geochemical reactions for carbon sequestration and selecting appropriate simplifications for use in evaluating sequestration scenarios. In the third example, the modeling history for a uranium-contaminated site demonstrates that conservative parameter estimates were inadequate surrogates for complex, critical processes and there is discussion on the selection of more appropriate model complexity for this application. All three examples highlight how complexity considerations are essential to create scientifically defensible models that achieve a balance between model simplification and complexity.

Transient groundwater-lake interactions in a continental rift: Sea of Galilee, Israel

USGS Publications Warehouse

Hurwitz, S.; Stanislavsky, E.; Lyakhovsky, V.; Gvirtzman, H.

2000-01-01

The Sea of Galilee, located in the northern part of the Dead Sea rift, is currently an intermediate fresh-water lake. It is postulated that during a short highstand phase of former Lake Lisan in the late Pleistocene, saline water percolated into the subsurface. Since its recession from the Kinarot basin and the instantaneous formation of the fresh-water lake (the Sea of Galilee), the previously intruded brine has been flushed backward toward the lake. Numerical simulations solving the coupled equations of fluid flow and of solute and heat transport are applied to examine the feasibility of this hypothesis. A sensitivity analysis shows that the major parameters controlling basin hydrodynamics are lake-water salinity, aquifer permeability, and aquifer anisotropy. Results show that a highstand period of 3000 yr in Lake Lisan was sufficient for saline water to percolate deep into the subsurface. Because of different aquifer permeabilities on both sides of the rift, brine percolated into a aquifers on the western margin, whereas percolation was negligible on the eastern side. In the simulation, after the occupation of the basin by the Sea of Galilee, the invading saline water was leached backward by a topography-driven flow. It is suggested that the percolating brine on the western side reacted with limestone at depth to form epigenetic dolomite at elevated temperatures. Therefore, groundwater discharging along the western shores of the Sea of Galilee has a higher calcium to magnesium ratio than groundwater on the eastern side.

Modeling In Situ Bioremediation of Perchlorate-Contaminated Groundwater

NASA Astrophysics Data System (ADS)

Goltz, M. N.; Secody, R. E.; Huang, J.; Hatzinger, P. B.

2007-12-01

Perchlorate-contaminated groundwater is a significant national problem. An innovative technology was recently developed which uses a pair of dual-screened treatment wells to mix an electron donor into perchlorate- contaminated groundwater in order to effect in situ bioremediation of the perchlorate by indigenous perchlorate reducing bacteria (PRB) without the need to extract the contaminated water from the subsurface. The two treatment wells work in tandem to establish a groundwater recirculation zone in the subsurface. Electron donor is added and mixed into perchlorate-contaminated groundwater flowing through each well. The donor serves to stimulate biodegradation of the perchlorate by PRB in bioactive zones that form adjacent to the injection screens of the treatment wells. In this study, a model that simulates operation of the technology was calibrated using concentration data obtained from a field-scale technology evaluation project at a perchlorate-contaminated site. The model simulates transport of perchlorate, the electron donor (citrate, for this study), and competing electron acceptors (oxygen and nitrate) in the groundwater flow field induced by operation of the treatment well pair. A genetic algorithm was used to derive a set of best-fit model parameters to describe the perchlorate reduction kinetics in this field-scale evaluation project. The calibrated parameter values were then used to predict technology performance. The model qualitatively predicted the salient characteristics of the observed data. It appears the model may be a useful tool for designing and operating this technology at other perchlorate-contaminated sites.

Sampling surface and subsurface particle-size distributions in wadable gravel-and cobble-bed streams for analyses in sediment transport, hydraulics, and streambed monitoring

Treesearch

Kristin Bunte; Steven R. Abt

2001-01-01

This document provides guidance for sampling surface and subsurface sediment from wadable gravel-and cobble-bed streams. After a short introduction to streams types and classifications in gravel-bed rivers, the document explains the field and laboratory measurement of particle sizes and the statistical analysis of particle-size distributions. Analysis of particle...

An intermediate-scale model for thermal hydrology in low-relief permafrost-affected landscapes

DOE PAGES

Jan, Ahmad; Coon, Ethan T.; Painter, Scott L.; ...

2017-07-10

Integrated surface/subsurface models for simulating the thermal hydrology of permafrost-affected regions in a warming climate have recently become available, but computational demands of those new process-rich simu- lation tools have thus far limited their applications to one-dimensional or small two-dimensional simulations. We present a mixed-dimensional model structure for efficiently simulating surface/subsurface thermal hydrology in low-relief permafrost regions at watershed scales. The approach replaces a full three-dimensional system with a two-dimensional overland thermal hydrology system and a family of one-dimensional vertical columns, where each column represents a fully coupled surface/subsurface thermal hydrology system without lateral flow. The system is then operatormore » split, sequentially updating the overland flow system without sources and the one-dimensional columns without lateral flows. We show that the app- roach is highly scalable, supports subcycling of different processes, and compares well with the corresponding fully three-dimensional representation at significantly less computational cost. Those advances enable recently developed representations of freezing soil physics to be coupled with thermal overland flow and surface energy balance at scales of 100s of meters. Furthermore developed and demonstrated for permafrost thermal hydrology, the mixed-dimensional model structure is applicable to integrated surface/subsurface thermal hydrology in general.« less

Impact of Stress on Anomalous Transport in Fractured Rock

NASA Astrophysics Data System (ADS)

Kang, P. K.; Lei, Q.; Lee, S.; Dentz, M.; Juanes, R.

2016-12-01

Fluid flow and transport in fractured rock controls many natural and engineered processes in the subsurface. However, characterizing flow and transport through fractured media is challenging due to the large heterogeneity of fractured rock properties. In addition to these "static" challenges, geologic fractures are always under significant overburden stress, and changes in the stress state can lead to changes in the fracture's ability to conduct fluids. While confining stress has been shown to impact fluid flow through fractures in a fundamental way, the impact of confining stress on transport through fractured rock remains largely unexplored. The link between anomalous (non-Fickian) transport and confining stress has been shown only recently, at the level of a single rough fracture [1]. Here, we investigate the impact of confining stress on flow and transport through discrete fracture networks. We model geomechanical effects in 2D fractured rock by means of a finite-discrete element method (FEMDEM), which can capture the deformation of matrix blocks, reactivation and propagation of cracks. We implement a joint constitutive model within the FEMDEM framework to simulate the effect of fracture roughness. We apply the model to a fracture network extracted from the geological map of an actual outcrop to obtain the aperture field at different stress conditions (Figure 1). We then simulate fluid flow and particle transport through the stressed fracture networks. We observe that anomalous transport emerges in response to confining stress on the fracture networks, and show that this anomalous behavior can be linked to the stress state of the rock. Finally, we develop an effective transport model that captures the anomalous transport through stressed fractures. Our results point to a heretofore unrecognized link between geomechanics and anomalous transport in discrete fractured networks. [1] P. K. Kang, S. Brown, and R. Juanes, Emergence of anomalous transport in stressed rough fractures. Earth and Planetary Science Letters, to appear (2016). Figure (a) Map of maximum principal stress with a vertical normal compressive stress of 3 MPa at top and bottom boundaries, and 1MPa at left and right boundaries. (b) Normal compressive stress of 15 MPa at top and bottom boundaries, and 5MPa at left and right boundaries.

Investigation and simulation on fate and transport of leachate from a livestock mortality burial site

NASA Astrophysics Data System (ADS)

Lim, J.-W.; Lee, S.; Kaown, D.; Lee, K.-K.

2012-04-01

Leachate released from livestock mortality burial during decomposition of carcasses can be a threat to groundwater quality. Monitoring study of groundwater quality in the vicinity of livestock burial reported that a caution is needed to prevent contamination of both groundwater and soil, especially in case of mortality burial (Glanville, 2000; Ritter and Chirnside, 1995). The average concentration of ammonium-N and chloride is reported to be 12,600 mg/l and 2,600 mg/l respectively, which is 2-4 times higher than leachate from earthen manure storages and landfills (Pratt, 2009). To assess the potential threat of burial leachate to groundwater quality, simulation of leachate transport is performed based on a hydrogeologic model of an actual mortality burial site. At the burial site of this study located at a hill slope, two mortality pits have been constructed along the slope to bury swine during the outbreak of nationwide foot and mouth disease(FMD) in 2011. Though the pits were partially lined with impermeable material, potential threat of leachate leakage is still in concern. Electrical resistivity survey has been performed several times at the burial site and abnormal resistivity zones have been detected which are supposed as leachate leakage from the burial. Subsurface model including unsaturated zone is built since the leakage is supposed to occur mainly in lateral of the burial pits which is in unsaturated zone. When examining leachate transport, main focus is given to a nitrogenous compound and colloidal character of FMD virus. Nitrifying of denitrifying characters of nitrogenous compound and transport of colloidal particles are affected mainly by soil water content in unsaturated zone. Thus, the fate and transport of burial leachate affected by seasonal variation in recharge pattern is investigated.

The Search for Subsurface Life on Mars: Results from the MARTE Analog Drill Experiment in Rio Tinto, Spain

NASA Astrophysics Data System (ADS)

Stoker, C. R.; Lemke, L. G.; Cannon, H.; Glass, B.; Dunagan, S.; Zavaleta, J.; Miller, D.; Gomez-Elvira, J.

2006-03-01

The Mars Analog Research and Technology (MARTE) experiment has developed an automated drilling system on a simulated Mars lander platform including drilling, sample handling, core analysis and down-hole instruments relevant to searching for life in the Martian subsurface.

VIRTUS: A MODEL OF VIRUS TRANSPORT IN UNSATURATED SOILS

EPA Science Inventory

As a result of the recently proposed mandatory groundwater disinfection requirements to inactivate viruses in potable water supplies, there has been increasing interest in virus fate and transport in the subsurface. Several models have been developed to predict the fate of viruse...

ITE CHARACTERIZATION TO SUPPORT CONCEPTUAL MODEL DEVELOPMENT FOR SUBSURFACE RADIONUCLIDE TRANSPORT

EPA Science Inventory

Remediation of radionuclide contaminants in ground water often begins with the development of conceptual and analytical models that guide our understanding of the processes controlling radionuclide transport. The reliability of these models is often predicated on the collection o...

A multicomponent coupled model of glacier hydrology 1. Theory and synthetic examples

NASA Astrophysics Data System (ADS)

Flowers, Gwenn E.; Clarke, Garry K. C.

2002-11-01

Basal hydrology is acknowledged as a fundamental control on glacier dynamics, especially in cases where surface meltwater reaches the bed. For many glaciers at midlatitudes, basal drainage is influenced by subaerial, englacial, and subsurface water flow. One of the major shortcomings of existing basal hydrology models is the treatment of the glacier bed as an isolated system. We present theoretical and computational models that couple glacier surface runoff, englacial water storage and transport, subglacial drainage, and subsurface groundwater flow. Each of the four model components is represented as a two-dimensional, vertically integrated layer that communicates with its neighbors through water exchange. Governing equations are derived from the law of mass conservation and are expressed as a balance between the internal distribution of water and external sources. The numerical exposition of this theory is a time-dependent finite difference model that can be used to simulate glacier drainage. In this paper we outline the theory and conduct simple tests using an idealized glacier geometry. In the companion paper, the model is tailored to Trapridge Glacier, Yukon Territory, Canada, where results are compared with measurements of subglacial water pressure.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsigabu Gebrehiwet; James R. Henriksen; Luanjing Guo

Multi-component mineral precipitation in porous, subsurface environments is challenging to simulate or engineer when in situ reactant mixing is controlled by diffusion. In contrast to well-mixed systems, the conditions that favor mineral precipitation in porous media are distributed along chemical gradients, which evolve spatially due to concurrent mineral precipitation and modification of solute transport in the media. The resulting physical and chemical characteristics of a mixing/precipitation zone are a consequence of coupling between transport and chemical processes, and the distinctive properties of individual chemical systems. We examined the spatial distribution of precipitates formed in “double diffusion” columns for two chemicalmore » systems, calcium carbonate and calcium phosphate. Polyacrylamide hydrogel was used as a low permeability, high porosity medium to maximize diffusive mixing and minimize pressure- and density-driven flow between reactant solutions. In the calcium phosphate system, multiple, visually dense and narrow bands of precipitates were observed that were reminiscent of previously reported Liesegang patterns. In the calcium carbonate system, wider precipitation zones characterized by more sparse distributions of precipitates and a more open channel structure were observed. In both cases, formation of precipitates inhibited, but did not necessarily eliminate, continued transport and mixing of the reactants. A reactive transport model with fully implicit coupling between diffusion, chemical speciation and precipitation kinetics, but where explicit details of nucleation processes were neglected, was able to qualitatively simulate properties of the precipitation zones. The results help to illustrate how changes in the physical properties of a precipitation zone depend on coupling between diffusion-controlled reactant mixing and chemistry-specific details of precipitation kinetics.« less

Open-Source Development of the Petascale Reactive Flow and Transport Code PFLOTRAN

NASA Astrophysics Data System (ADS)

Hammond, G. E.; Andre, B.; Bisht, G.; Johnson, T.; Karra, S.; Lichtner, P. C.; Mills, R. T.

2013-12-01

Open-source software development has become increasingly popular in recent years. Open-source encourages collaborative and transparent software development and promotes unlimited free redistribution of source code to the public. Open-source development is good for science as it reveals implementation details that are critical to scientific reproducibility, but generally excluded from journal publications. In addition, research funds that would have been spent on licensing fees can be redirected to code development that benefits more scientists. In 2006, the developers of PFLOTRAN open-sourced their code under the U.S. Department of Energy SciDAC-II program. Since that time, the code has gained popularity among code developers and users from around the world seeking to employ PFLOTRAN to simulate thermal, hydraulic, mechanical and biogeochemical processes in the Earth's surface/subsurface environment. PFLOTRAN is a massively-parallel subsurface reactive multiphase flow and transport simulator designed from the ground up to run efficiently on computing platforms ranging from the laptop to leadership-class supercomputers, all from a single code base. The code employs domain decomposition for parallelism and is founded upon the well-established and open-source parallel PETSc and HDF5 frameworks. PFLOTRAN leverages modern Fortran (i.e. Fortran 2003-2008) in its extensible object-oriented design. The use of this progressive, yet domain-friendly programming language has greatly facilitated collaboration in the code's software development. Over the past year, PFLOTRAN's top-level data structures were refactored as Fortran classes (i.e. extendible derived types) to improve the flexibility of the code, ease the addition of new process models, and enable coupling to external simulators. For instance, PFLOTRAN has been coupled to the parallel electrical resistivity tomography code E4D to enable hydrogeophysical inversion while the same code base can be used as a third-party library to provide hydrologic flow, energy transport, and biogeochemical capability to the community land model, CLM, part of the open-source community earth system model (CESM) for climate. In this presentation, the advantages and disadvantages of open source software development in support of geoscience research at government laboratories, universities, and the private sector are discussed. Since the code is open-source (i.e. it's transparent and readily available to competitors), the PFLOTRAN team's development strategy within a competitive research environment is presented. Finally, the developers discuss their approach to object-oriented programming and the leveraging of modern Fortran in support of collaborative geoscience research as the Fortran standard evolves among compiler vendors.

Subsurface North Atlantic warming as a trigger of rapid cooling events: evidences from the Early Pleistocene (MIS 31-19)

NASA Astrophysics Data System (ADS)

Hernández-Almeida, I.; Sierro, F.-J.; Cacho, I.; Flores, J.-A.

2014-10-01

Subsurface water column dynamics in the subpolar North Atlantic were reconstructed in order to improve the understanding of the cause of abrupt IRD events during cold periods of the Early Pleistocene. We used Mg / Ca-based temperatures of deep-dwelling (Neogloboquadrina pachyderma sinistral) planktonic foraminifera and paired Mg / Ca-δ18O measurements to estimate the subsurface temperatures and δ18O of seawater at Site U1314. Carbon isotopes on benthic and planktonic foraminifera from the same site provide information about the ventilation and water column nutrient gradient. Mg / Ca-based temperatures and δ18O of seawater suggest increased temperatures and salinities during ice-rafting, likely due to enhanced northward subsurface transport of subtropical waters during periods of AMOC reduction. Planktonic carbon isotopes support this suggestion, showing coincident increased subsurface ventilation during deposition of ice-rafted detritus (IRD). Warm waters accumulated at subsurface would result in basal warming and break-up of ice-shelves, leading to massive iceberg discharges in the North Atlantic. Release of heat and salt stored at subsurface would help to restart the AMOC. This mechanism is in agreement with modelling and proxy studies that observe a subsurface warming in the North Atlantic in response to AMOC slowdown during the MIS3.

Subsurface North Atlantic warming as a trigger of rapid cooling events: evidence from the early Pleistocene (MIS 31-19)

NASA Astrophysics Data System (ADS)

Hernández-Almeida, I.; Sierro, F.-J.; Cacho, I.; Flores, J.-A.

2015-04-01

Subsurface water column dynamics in the subpolar North Atlantic were reconstructed in order to improve the understanding of the cause of abrupt ice-rafted detritus (IRD) events during cold periods of the early Pleistocene. We used paired Mg / Ca and δ18O measurements of Neogloboquadrina pachyderma (sinistral - sin.), deep-dwelling planktonic foraminifera, to estimate the subsurface temperatures and seawater δ18O from a sediment core from Gardar Drift, in the subpolar North Atlantic. Carbon isotopes of benthic and planktonic foraminifera from the same site provide information about the ventilation and water column nutrient gradient. Mg / Ca-based temperatures and seawater δ18O suggest increased subsurface temperatures and salinities during ice-rafting, likely due to northward subsurface transport of subtropical waters during periods of weaker Atlantic Meridional Overturning Circulation (AMOC). Planktonic carbon isotopes support this suggestion, showing coincident increased subsurface ventilation during deposition of IRD. Subsurface accumulation of warm waters would have resulted in basal warming and break-up of ice-shelves, leading to massive iceberg discharges in the North Atlantic. The release of heat stored at the subsurface to the atmosphere would have helped to restart the AMOC. This mechanism is in agreement with modelling and proxy studies that observe a subsurface warming in the North Atlantic in response to AMOC slowdown during Marine Isotope Stage (MIS) 3.

LIRAS mission for lunar exploration by microwave interferometric radiometer: Moon's subsurface characterization, emission model and numerical simulator

NASA Astrophysics Data System (ADS)

Pompili, Sara; Silvio Marzano, Frank; Di Carlofelice, Alessandro; Montopoli, Mario; Talone, Marco; Crapolicchio, Raffaele; L'Abbate, Michelangelo; Varchetta, Silvio; Tognolatti, Piero

2013-04-01

The "Lunar Interferometric Radiometer by Aperture Synthesis" (LIRAS) mission is promoted by the Italian Space Agency and is currently in feasibility phase. LIRAS' satellite will orbit around the Moon at a height of 100 km, with a revisiting time period lower than 1 lunar month and will be equipped with: a synthetic aperture radiometer for subsurface sounding purposes, working at 1 and 3 GHz, and a real aperture radiometer for near-surface probing, working at 12 and 24 GHz. The L-band payload, representing a novel concept for lunar exploration, is designed as a Y-shaped thinned array with three arms less than 2.5 m long. The main LIRAS objectives are high-resolution mapping and vertical sounding of the Moon subsurface by applying the advantages of the antenna aperture synthesis technique to a multi-frequency microwave passive payload. The mission is specifically designed to achieve spatial resolutions less than 10 km at surface and to retrieve thermo-morphological properties of the Moon subsurface within 5 m of depth. Among LIRAS products are: lunar near-surface brightness temperature, subsurface brightness temperature gross profile, subsurface regolith thickness, density and average thermal conductivity, detection index of possible subsurface discontinuities (e.g. ice presence). The following study involves the preliminary design of the LIRAS payload and the electromagnetic and thermal characterization of the lunar subsoil through the implementation of a simulator for reproducing the LIRAS measurements in response to observations of the Moon surface and subsurface layers. Lunar physical data, collected after the Apollo missions, and LIRAS instrument parameters are taken as input for the abovementioned simulator, called "LIRAS End-to-end Performance Simulator" (LEPS) and obtained by adapting the SMOS End-to-end Performance Simulator to the different instrumental, orbital, and geophysical LIRAS characteristics. LEPS completely simulates the behavior of the satellite when it becomes operational providing the extrapolation of lunar brightness temperature maps in both Antenna frame (the cosine domain) and on the Moon surface and allowing an accurate analysis of the instrument performance. The Moon stratigraphy is reproduced in LEPS environment through three scenarios: a macro-layer of regolith; two subsequent macro-layers of regolith and rock; three subsequent macro-layers of regolith, ice and rock, respectively. These scenarios are studied using an incoherent approach, taking into account the interaction between the upwelling and downwelling radiation contributions from each layer to model the resulting brightness temperature at the surface level. It has been considered that the radiative behavior of the Moon varies over time, depending on solar illumination conditions, and it is also function of the material properties, layer thickness and specific position on the lunar crust; moreover it has been examined its variation with frequency, observation angle, and polarization. Using the proposed emission model it has been possible to derive a digital thermal model in the microwave frequency of the Moon, allowing in-depth analysis of the lunar soil consistency; this collected information could be related with a lunar digital elevation model in order to achieve global coverage information on topological aspects. The main results of the study will be presented at the conference.

Using Bacterial Surrogates to Assess Pathogen Transport in the Subsurface: Laboratory and Field Indications of Co-Transport Considerations

NASA Astrophysics Data System (ADS)

Emelko, M.; Stimson, J. R.; McLellan, N. L.; Mesquita, M.

2009-12-01

Prediction of the transport and fate of colloids and nanoparticles in porous media environments remains challenging because factors such as experimental scale, subsurface heterogeneity, and variable flow paths and fluxes have made it difficult to relate laboratory outcomes to field performance. Moreover, field studies have been plagued with inadequate consideration of ground water flow, reliance on unproven “surrogate” parameters, non-detects at the extraction well, and limited sampling. Riverbank filtration (RBF) is an example of an application for which some predictive capacity regarding colloid transport is desirable. RBF is a relatively low-cost, natural water treatment technology in which surface water contaminants are removed or degraded as the infiltrating water flows from a surface source to abstraction wells. RBF has been used for water treatment for at least 200 years and its potential to provide a significant barrier to microorganisms has been demonstrated. Assignment of microbial treatment credits for RBF remains a regulatory challenge because strategies for demonstrating effective subsurface filtration of organisms are not standardized. The potential passage of Giardia lamblia and Cryptosporidium parvum through RBF systems is of particular regulatory concern because these pathogens are known to be resistant to conventional disinfection processes. The transport or relatively small, pathogenic viruses through RBF systems is also a common concern. To comply with the U.S. Long Term 2 Enhanced Surface Water Treatment Rule, utilities with sufficiently high levels of Cryptosporidium oocysts in their source water must amend existing treatment by choosing from a ‘‘toolbox’’ of technologies, including RBF. Aerobic bacterial spores have been evaluated and proposed by some as surrogates for evaluating drinking water treatment plant performance; they also have been proposed as potential surrogates for Cryptosporidium removal during subsurface filtration processes such as RBF. Here, duplicate column studies were conducted to evaluate the transport of nano- and micro-sized polystyrene micropsheres, aerobic spores of Bacillus subtilis, PR772 bacteriophage, and pathogenic Salmonella typhimurium bacteria in a well-sorted fine sand (d 50 = 0.6 mm). A field validation experiment investigating transport of 1.5 µm polystyrene micropsheres and aerobic spores in and RBF system comprised of unconsolidated silty sand, gravel, and boulders was conducted. The column studies demonstrated that the presence of the aerobic spores resulted in increased removal of 4.5 µm microspheres from< 2 log to ~4 log, and 1.5 µm microsphere removal from <0.5 log to ~1 log removal. Microscopic examination of the samples also revealed extensive clumping of microspheres and microorganisms during the experiments conducted with aerobic spores. A field trial during which microspheres and spores of B. subtilis were injected into the subsurface provided corroborating evidence of a co-transport effect of aerobic spores by demonstrating ~1.6 log increase in 1.5 µm microsphere removal in the presence of aerobic spores.

Characterization of Nano-scale Aluminum Oxide Transport through Porous Media

NASA Astrophysics Data System (ADS)

Norwood, S.; Reynolds, M.; Miao, Z.; Brusseau, M. L.; Johnson, G. R.

2011-12-01

Colloidal material (including that in the nanoparticle size range) is naturally present in most subsurface environments. Mobilization of these colloidal materials via particle disaggregation may occur through abrupt changes in flow rate and/or via chemical perturbations, such as rapid changes in ionic strength or solution pH. While concentrations of natural colloidal materials in the subsurface are typically small, those concentrations may be greatly increased at contaminated sites such as following the application of metal oxides for groundwater remediation efforts. Additionally, while land application of biosolids has become common practice in the United States as an alternative to industrial fertilizers, biosolids have been shown to contain a significant fraction of organic and inorganic nano-scale colloidal materials such as oxides of iron, titanium, and aluminum. Given their reactivity and small size, there are many questions concerning the potential migration of nano-scale colloidal materials through the soil column and their potential participation in the facilitated transport of contaminants, such as heavy metals and emerging pollutants. The purpose of this study was to investigate the transport behavior of aluminum oxide (Al2O3) nanoparticles through porous media. The impacts of pH, ionic strength, pore-water velocity (i.e., residence time), and aqueous-phase concentration on transport was investigated. All experiments were conducted with large injection pulses to fully characterize the impact of long-term retention and transport behavior relevant for natural systems wherein multiple retention processes may be operative. The results indicate that the observed nonideal transport behavior of the nano-scale colloids is influenced by multiple retention mechanisms/processes. Given the ubiquitous nature of these nano-scale colloids in the environment, a clear understanding of their transport and fate is necessary in further resolving the potential for facilitated transport of toxins through the subsurface and into our surface and groundwater bodies.

Can Computational Sediment Transport Models Reproduce the Observed Variability of Channel Networks in Modern Deltas?

NASA Astrophysics Data System (ADS)

Nesvold, E.; Mukerji, T.

2017-12-01

River deltas display complex channel networks that can be characterized through the framework of graph theory, as shown by Tejedor et al. (2015). Deltaic patterns may also be useful in a Bayesian approach to uncertainty quantification of the subsurface, but this requires a prior distribution of the networks of ancient deltas. By considering subaerial deltas, one can at least obtain a snapshot in time of the channel network spectrum across deltas. In this study, the directed graph structure is semi-automatically extracted from satellite imagery using techniques from statistical processing and machine learning. Once the network is labeled with vertices and edges, spatial trends and width and sinuosity distributions can also be found easily. Since imagery is inherently 2D, computational sediment transport models can serve as a link between 2D network structure and 3D depositional elements; the numerous empirical rules and parameters built into such models makes it necessary to validate the output with field data. For this purpose we have used a set of 110 modern deltas, with average water discharge ranging from 10 - 200,000 m3/s, as a benchmark for natural variability. Both graph theoretic and more general distributions are established. A key question is whether it is possible to reproduce this deltaic network spectrum with computational models. Delft3D was used to solve the shallow water equations coupled with sediment transport. The experimental setup was relatively simple; incoming channelized flow onto a tilted plane, with varying wave and tidal energy, sediment types and grain size distributions, river discharge and a few other input parameters. Each realization was run until a delta had fully developed: between 50 and 500 years (with a morphology acceleration factor). It is shown that input parameters should not be sampled independently from the natural ranges, since this may result in deltaic output that falls well outside the natural spectrum. Since we are interested in studying the patterns occurring in nature, ideas are proposed for how to sample computer realizations that match this distribution. By establishing a link between surface based patterns from the field with the associated subsurface structure from physics-based models, this is a step towards a fully Bayesian workflow in subsurface simulation.

Assessment of phenol infiltration resilience in soil media by HYDRUS-1D transport model for a waste discharge site.

PubMed

Adhikari, K; Pal, S; Chakraborty, B; Mukherjee, S N; Gangopadhyay, A

2014-10-01

The movement of contaminants through soil imparts a variety of geo-environmental problem inclusive of lithospheric pollution. Near-surface aquifers are often vulnerable to contamination from surface source if overlying soil possesses poor resilience or contaminant attenuation capacity. The prediction of contaminant transport through soil is urged to protect groundwater from sources of pollutants. Using field simulation through column experiments and mathematical modeling like HYDRUS-1D, assessment of soil resilience and movement of contaminants through the subsurface to reach aquifers can be predicted. An outfall site of effluents of a coke oven plant comprising of alarming concentration of phenol (4-12.2 mg/L) have been considered for studying groundwater condition and quality, in situ soil characterization, and effluent characterization. Hydrogeological feature suggests the presence of near-surface aquifers at the effluent discharge site. Analysis of groundwater of nearby locality reveals the phenol concentration (0.11-0.75 mg/L) exceeded the prescribed limit of WHO specification (0.002 mg/L). The in situ soil, used in column experiment, possess higher saturated hydraulic conductivity (KS  = 5.25 × 10(-4) cm/s). The soil containing 47 % silt, 11 % clay, and 1.54% organic carbon content was found to be a poor absorber of phenol (24 mg/kg). The linear phenol adsorption isotherm model showed the best fit (R(2) = 0.977, RMSE = 1.057) to the test results. Column experiments revealed that the phenol removal percent and the length of the mass transfer zone increased with increasing bed heights. The overall phenol adsorption efficiency was found to be 42-49%. Breakthrough curves (BTCs) predicted by HYDRUS-1D model appears to be close fitting with the BTCs derived from the column experiments. The phenol BTC predicted by the HYDRUS-1D model for 1.2 m depth subsurface soil, i.e., up to the depth of groundwater in the study area, showed that the exhaustion point was reached within 12 days of elapsed time. This clearly demonstrated poor attenuation capacity of the soil to retard migration of phenol to the groundwater from the surface outfall site. Suitable liner, based on these data, may be designed to inhibit subsurface transport of phenol and thereby to protect precious groundwater from contamination.

Role of Climatic Variability on Fate and Transport of LNAPL Pollutants in Subsurface

NASA Astrophysics Data System (ADS)

Gupta, P. K.; Yadav, B. K.

2017-12-01

Climatic variability affects groundwater resources both directly through replenishment by surface recharge and indirectly via changes in groundwater extraction patterns. Remediation of polluted groundwater due to the release of mono-aromatic hydrocarbons such as light non-aqueous phase liquids (LNAPL) is of particular concern under changing climatic conditions because of their higher water solubility and wide coverage in the subsurface. Thus, the aim of this study was to investigate the impact of these shallow groundwater extremes on biodegradation and transport of toluene, the selected LNAPL, in subsurface using a series of practical and numerical experiments. An air tight three-dimensional sand tank setup (60cm-L×30cm-W×60cm-D) embedded with horizontal and vertical layers of sampling ports was fabricated using a glass sheet of thickness 7 mm. Clean sand having an average grain size of 0.5-1.0 mm was packed homogeneously for creating an unconfined aquifer. Pure phase of toluene was released from the top surface to create a pool of the LNAPL around the groundwater table which was maintained at 35 cm from the tank bottom. Initially, a constant water flux was allowed to flow to maintain a pore water velocity of 1.2 m/day in lateral direction to mimic a base groundwater flow regime. Subsequently, faster and slow groundwater velocity regimes were developed by changing the water flux through the saturated zone keeping the water table location at the same level. The observed breakthrough curves at different ports showed that lateral and transverse transport of the LNAPL was more prominent as compared to its vertical movement. The increased vertical movement of the LNAPL along with an enhanced dissolution rate under the faster groundwater flow condition shows the crucial role of mechanical dispersion and the shear force acting on the water-LNAPL interface. The rate of degradation was found high for the case of faster pore water velocities due to dependency of the degradation kinetics on substrate concentration. The observed data were compared well with the simulated curves for all the three cases of groundwater flow conditions. The results of this study are of direct use in applying bioremediation technique in the field and for planning of LNAPL polluting industrial locations under changing climatic conditions.

Model of fluid flow and internal erosion of a porous fragile medium

NASA Astrophysics Data System (ADS)

Kudrolli, Arshad; Clotet, Xavier

2016-11-01

We discuss the internal erosion and transport of particles leading to heterogeneity and channelization of a porous granular bed driven by fluid flow by introducing a model experimental system which enables direct visualization of the evolution of porosity from the single particle up to the system scale. Further, we develop a hybrid hydrodynamic-statistical model to understand the main ingredients needed to simulate our observations. A uniqueness of our study is the close coupling of the experiments and simulations with control parameters used in the simulations derived from the experiments. Understanding this system is of fundamental importance to a number of geophysical processes, and in the extraction of hydrocarbons in the subsurface including the deposition of proppants used in hydraulic fracturing. We provide clear evidence for the importance of curvature of the interface between high and low porosity regions in determining the flux rate needed for erosion and the spatial locations where channels grow. This material is based upon work supported by the U.S. Department of Energy Office of Science, Office of Basic Energy Sciences program under DE-SC0010274.

Partitioning Tracer Test for Detection, Estimation, and Remediation Performance Assessment of Subsurface Nonaqueous Phase Liquids

NASA Astrophysics Data System (ADS)

Jin, Minquan; Delshad, Mojdeh; Dwarakanath, Varadarajan; McKinney, Daene C.; Pope, Gary A.; Sepehrnoori, Kamy; Tilburg, Charles E.; Jackson, Richard E.

1995-05-01

In this paper we present a partitioning interwell tracer test (PITT) technique for the detection, estimation, and remediation performance assessment of the subsurface contaminated by nonaqueous phase liquids (NAPLs). We demonstrate the effectiveness of this technique by examples of experimental and simulation results. The experimental results are from partitioning tracer experiments in columns packed with Ottawa sand. Both the method of moments and inverse modeling techniques for estimating NAPL saturation in the sand packs are demonstrated. In the simulation examples we use UTCHEM, a comprehensive three-dimensional, chemical flood compositional simulator developed at the University of Texas, to simulate a hypothetical two-dimensional aquifer with properties similar to the Borden site contaminated by tetrachloroethylene (PCE), and we show how partitioning interwell tracer tests can be used to estimate the amount of PCE contaminant before remedial action and as the remediation process proceeds. Tracer tests results from different stages of remediation are compared to determine the quantity of PCE removed and the amount remaining. Both the experimental (small-scale) and simulation (large-scale) results demonstrate that PITT can be used as an innovative and effective technique to detect and estimate the amount of residual NAPL and for remediation performance assessment in subsurface formations.

Partitioning tracer test for detection, estimation, and remediation performance assessment of subsurface nonaqueous phase liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, M.; Delshad, M.; Dwarakanath, V.

1995-05-01

In this paper we present a partitioning interwell tracer test (PITT) technique for the detection, estimation, and remediation performance assessment of the subsurface contaminated by nonaqueous phase liquids (NAPLs). We demonstrate the effectiveness of this technique by examples of experimental and simulation results. The experimental results are from partitioning tracer experiments in columns packed with Ottawa sand. Both the method of moments and inverse modeling techniques for estimating NAPL saturation in the sand packs are demonstrated. In the simulation examples we use UTCHEM, a comprehensive three-dimensional, chemical flood compositional simulator developed at the University of Texas, to simulate a hypotheticalmore » two-dimensional aquifer with properties similar to the Borden site contaminated by tetrachloroethylene (PCE), and we show how partitioning interwell tracer tests can be used to estimate the amount of PCE contaminant before remedial action and as the remediation process proceeds. Tracer test results from different stages of remediation are compared to determine the quantity of PCE removed and the amount remaining. Both the experimental (small-scale) and simulation (large-scale) results demonstrate that PITT can be used as an innovative and effective technique to detect and estimate the amount of residual NAPL and for remediation performance assessment in subsurface formations. 43 refs., 10 figs., 1 tab.« less

INTERNET COURSE ON MODELING SUBSURFACE TRANSPORT OF PETROLEUM HYDROCARBONS

EPA Science Inventory

Assessment of leaks from underground storage tanks relies on knowledge of contaminant fate and transport, hydrology and in some cases modeling. EPA is developing an interactive, on-line training course to provide states with a low-cost training opportunity for these areas. Two ...

TRANSPORT AND FATE OF CONTAMINANTS IN THE SUBSURFACE

EPA Science Inventory

This publication is based on a series of t.technology Transfer seminars that were conducted in 1987 and 1988. The document provides an overview of many of the issues associated with the physical, chemical and biological processes that control contaminant transport in the subsurfa...

STATE WATER RESOURCES RESEARCH INSTITUTE PROGRAM: GROUND WATER RESEARCH.

USGS Publications Warehouse

Burton, James S.; ,

1985-01-01

This paper updates a review of the accomplishments of the State Water Resources Research Program in ground water contamination research. The aim is to assess the progress made towards understanding the mechanisms of ground water contamination and based on this understanding, to suggest procedures for the prevention and control of ground water contamination. The following research areas are covered: (1) mechanisms of organic contaminant transport in the subsurface environment; (2) bacterial and viral contamination of ground water from landfills and septic tank systems; (3) fate and persistence of pesticides in the subsurface; (4) leachability and transport of ground water pollutants from coal production and utilization; and (5) pollution of ground water from mineral mining activities.

Retention and transport of nutrients in a third-order stream in northwestern California; hyporheic processes

USGS Publications Warehouse

Triska, F.J.; Kennedy, V.C.; Avanzino, R.J.; Zellweger, G.W.; Bencala, K.E.

1989-01-01

Chloride and nitrate were coinjected into the surface waters of a third-order stream for 20 d to exmaine solute retention, and the fate of nitrate during subsurface transport. A series of wells (shallow pits) 0.5-10 m from the adjacent channel were sampled to estimate the lateral interflow of water. Two subsurface return flows beneath the wetted channel were also examined. Results indicated that the capacity of the hyporheic zone for transient solute storage and as potential biological habitat varies with channel morphology, bed roughness, and permeability. A conceptual model that considers the groundwater-stream water interface as the fluvial boundary is proposed. -from Authors

ON THE OBSERVATION AND SIMULATION OF SOLAR CORONAL TWIN JETS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Jiajia; Wang, Yuming; Zhang, Quanhao

We present the first observation, analysis, and modeling of solar coronal twin jets, which occurred after a preceding jet. Detailed analysis on the kinetics of the preceding jet reveals its blowout-jet nature, which resembles the one studied in Liu et al. However, the erupting process and kinetics of the twin jets appear to be different from the preceding one. Lacking detailed information on the magnetic fields in the twin jet region, we instead use a numerical simulation using a three-dimensional (3D) MHD model as described in Fang et al., and find that in the simulation a pair of twin jetsmore » form due to reconnection between the ambient open fields and a highly twisted sigmoidal magnetic flux, which is the outcome of the further evolution of the magnetic fields following the preceding blowout jet. Based on the similarity between the synthesized and observed emission, we propose this mechanism as a possible explanation for the observed twin jets. Combining our observation and simulation, we suggest that with continuous energy transport from the subsurface convection zone into the corona, solar coronal twin jets could be generated in the same fashion addressed above.« less

Simulated laser fluorosensor signals from subsurface chlorophyll distributions

NASA Technical Reports Server (NTRS)

Venable, D. D.; Khatun, S.; Punjabi, A.; Poole, L.

1986-01-01

A semianalytic Monte Carlo model has been used to simulate laser fluorosensor signals returned from subsurface distributions of chlorophyll. This study assumes the only constituent of the ocean medium is the common coastal zone dinoflagellate Prorocentrum minimum. The concentration is represented by Gaussian distributions in which the location of the distribution maximum and the standard deviation are variable. Most of the qualitative features observed in the fluorescence signal for total chlorophyll concentrations up to 1.0 microg/liter can be accounted for with a simple analytic solution assuming a rectangular chlorophyll distribution function.

Facilitated strontium transport by remobilization of strontium-containing secondary precipitates in Hanford Site subsurface.

PubMed

Wang, Guohui; Um, Wooyong

2013-03-15

Significantly enhanced immobilization of radionuclides (such as (90)Sr and (137)Cs) due to adsorption and coprecipitation with neo-formed colloid-sized secondary precipitates has been reported at the U.S. Department of Energy's Hanford Site. However, the stability of these secondary precipitates containing radionuclides in the subsurface under changeable field conditions is not clear. Here, the authors tested the remobilization possibility of Sr-containing secondary precipitates (nitrate-cancrinite) in the subsurface using saturated column experiments under different geochemical and flow conditions. The columns were packed with quartz sand that contained secondary precipitates (nitrate-cancrinite containing Sr), and leached using colloid-free solutions under different flow rates, varying pH, and ionic strength conditions. The results indicate remobilization of the neo-formed secondary precipitates could be possible given a change of pH of ionic strength and flow rate conditions. The remobility of the neo-formed precipitates increased with the rise in the leaching solution flow rate and pH (in a range of pH 4-11), as well as with decreasing solution ionic strength. The increased mobility of Sr-containing secondary precipitates with changing background conditions can be a potential source for additional radionuclide transport in Hanford Site subsurface environments. Published by Elsevier B.V.

Manipulation of subsurface carbon nanoparticles in Bi 2 Sr 2 CaCu 2 O 8 + δ using a scanning tunneling microscope

DOE PAGES

Stollenwerk, A. J.; Hurley, N.; Beck, B.; ...

2015-03-19

In this study, we present evidence that subsurface carbon nanoparticles in Bi₂Sr₂CaCu₂O 8+δ can be manipulated with nanometer precision using a scanning tunneling microscope. High resolution images indicate that most of the carbon particles remain subsurface after transport observable as a local increase in height as the particle pushes up on the surface. Tunneling spectra in the vicinity of these protrusions exhibit semiconducting characteristics with a band gap of approximately 1.8 eV, indicating that the incorporation of carbon locally alters the electronic properties near the surface.

Crystal Orientation Effect on the Subsurface Deformation of Monocrystalline Germanium in Nanometric Cutting.

PubMed

Lai, Min; Zhang, Xiaodong; Fang, Fengzhou

2017-12-01

Molecular dynamics simulations of nanometric cutting on monocrystalline germanium are conducted to investigate the subsurface deformation during and after nanometric cutting. The continuous random network model of amorphous germanium is established by molecular dynamics simulation, and its characteristic parameters are extracted to compare with those of the machined deformed layer. The coordination number distribution and radial distribution function (RDF) show that the machined surface presents the similar amorphous state. The anisotropic subsurface deformation is studied by nanometric cutting on the (010), (101), and (111) crystal planes of germanium, respectively. The deformed structures are prone to extend along the 110 slip system, which leads to the difference in the shape and thickness of the deformed layer on various directions and crystal planes. On machined surface, the greater thickness of subsurface deformed layer induces the greater surface recovery height. In order to get the critical thickness limit of deformed layer on machined surface of germanium, the optimized cutting direction on each crystal plane is suggested according to the relevance of the nanometric cutting to the nanoindentation.

Evaluating the Competitive Use of the Subsurface: The Influence of Energy Storage and Production in Groundwater

NASA Astrophysics Data System (ADS)

Helmig, R.; Becker, B.; Flemisch, B.

2015-12-01

The natural subsurface is gaining in importance for a variety of engineering applications related to energy supply. At the same time it is already utilized in many ways. On the one hand, the subsurface with its groundwater system represents the most important source of drinking water; on the other hand, it contains natural resources such as petroleum, natural gas and coal. In recent years, the subsurface has been gaining importance as a resource of energy and as an energy and waste repository. It can serve as a short-, medium- or long-term storage medium for energy in various forms, e.g. in the form of methane (CH4), hydrogen (H2) or compressed air. The subsurface is also attracting increasing interest as a natural source of energy, regarding, for instance, the extraction of fossil methane by hydraulic fracturing or the utilization of geothermal energy as a renewable energy source. As a result, with increasing exploitation, resource conflicts are becoming more and more common and complex. Modeling concepts for simulating multiphase flow that can reproduce the high complexity of the underlying processes in an efficient way need to be developed. The application of these model concepts is of great importance with respect to feasibility, risk analysis, storage capacity and sensitivity issues. This talk will give an overview on possible utilization conflicts in subsurface systems and how the groundwater is affected. It will focus on presenting fundamental properties and functions of a compositional multiphase system in a porous medium and introduce basic multiscale and multiphysics concepts as well as formulate conser­vation laws for simulating energy storage in the subsurface. Large-scale simulations that show the general applicability of the modeling concepts of such complicated natural systems, especially the impact on the groundwater of simultaneously using geothermal energy and storing chemical and thermal energy, and how such real large-scale systems provide a good environment for balancing the efficiency potential and possible weaknesses of the approaches will be discussed.

Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hou, Thomas; Efendiev, Yalchin; Tchelepi, Hamdi

2016-05-24

Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scalemore » basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics.« less

Preliminary Reactive Geochemical Transport Modeling Study on Changes in Water Chemistry Induced by CO2 Injection at Frio Pilot Test Site

NASA Astrophysics Data System (ADS)

Xu, T.; Kharaka, Y.; Benson, S.

2006-12-01

A total of 1600 tons of CO2 were injected into the Frio ~{!0~}C~{!1~} sandstone layer at a depth of 1500 m over a period of 10 days. The pilot, located near Dayton, Texas, employed one injection well and one observation well, separated laterally by about 30 m. Each well was perforated over 6 m in the upper portion of the 23-m thick sandstone. Fluid samples were taken from both wells before, during, and after the injection. Following CO2 breakthrough, observations indicate drops in pH (6.5 to 5.7), pronounced increases in concentrations of HCO3- (100 to 3000 mg/L), in Fe (30 to 1100), and dissolved organic carbon. Numerical modeling was used in this study to understand changes of aqueous HCO3- and Fe caused by CO2 injection. The general multiphase reactive geochemical transport simulator TOUGHREACT was used, which includes new fluid property module ECO2N with an accurate description of the thermophysical properties of mixtures of water, brine, and CO2 at conditions of interest for CO2 storage. A calibrated 1-D radial well flow model was employed for the present reactive geochemical transport simulations. Mineral composition used was taken from literatures relevant to Frio sandstone. Increases in HCO3- concentration were well reproduced by an initial simulation. Several scenarios were used to capture increases in Fe concentration including (1) dissolution of carbonate minerals, (2) dissolution of iron oxyhydroxides, (3) de-sorption of previously coated Fe. Future modeling, laboratory and field investigations are proposed to better understand the CO2-brine-mineral interactions at the Frio site. Results from this study could have broad implication for subsurface storage of CO2 and potential water quality impacts.

Incorporating Density Properties of MgSO4 Brines Into Icy World Ocean Simulations

NASA Astrophysics Data System (ADS)

Goodman, J. C.; Vance, S.

2011-12-01

The structure and flow of the subsurface oceans in icy worlds depends on the sources of buoyancy within these oceans. Buoyancy is determined by the equation of state, in which density is a nonlinear function of temperature, salinity, and pressure. Equations of state for terrestrial seawater (with Na and Cl as the principal dissolved species) are well-developed, but icy world oceans may contain a different balance of species, including Na, Mg, SO4, and NH4 (Kargel et al, 2000). Recent work by Vance and Brown (2011, pers. comm.) has mapped out the density and thermodynamic properties of MgSO4 brines under icy world conditions. We have developed code to incorporate this equation of state data for MgSO4 brines into two different ocean simulation models. First, we investigate a single-column convection model, which is able to find the equilibrium structure and heat transport of an icy world ocean. We explore the heat transport through the ocean subject to a variety of assumptions about ocean salinity and seafloor heat and salt flux. We resolve the paradox posed by Vance and Brown (2004): warm salty MgSO4 brine emitted by a seafloor hydrothermal system may be positively buoyant at the seafloor, but become negatively buoyant (sinking) at lower pressure. How does heat escape the ocean, if it cannot be transported by convection? Second, we add MgSO4 dynamics to a full 3-D time-dependent general circulation model (the MIT GCM), which is able to simulate both the global-scale circulation of the world's ocean and investigate the highly turbulent dynamics of buoyant hydrothermal systems. We ask, "Are buoyancy-driven flows in a MgSO4 brine ocean significantly different than similarly-driven flows in terrestrial seawater?"

FATE AND TRANSPORT MODELING OF CONTAMINANTS OF CONCERN FROM A CAFO IN AN AGRICULTURAL WATERSHED

EPA Science Inventory

The groundwater flow and transport modeling effort will require hydrogeological site characterization and the development of a conceptual flow model for the site. Site characterization will involve an assessment of both the surface and subsurface and be accomplished through joint...

Guidelines for model calibration and application to flow simulation in the Death Valley regional groundwater system

USGS Publications Warehouse

Hill, M.C.; D'Agnese, F. A.; Faunt, C.C.

2000-01-01

Fourteen guidelines are described which are intended to produce calibrated groundwater models likely to represent the associated real systems more accurately than typically used methods. The 14 guidelines are discussed in the context of the calibration of a regional groundwater flow model of the Death Valley region in the southwestern United States. This groundwater flow system contains two sites of national significance from which the subsurface transport of contaminants could be or is of concern: Yucca Mountain, which is the potential site of the United States high-level nuclear-waste disposal; and the Nevada Test Site, which contains a number of underground nuclear-testing locations. This application of the guidelines demonstrates how they may be used for model calibration and evaluation, and also to direct further model development and data collection.Fourteen guidelines are described which are intended to produce calibrated groundwater models likely to represent the associated real systems more accurately than typically used methods. The 14 guidelines are discussed in the context of the calibration of a regional groundwater flow model of the Death Valley region in the southwestern United States. This groundwater flow system contains two sites of national significance from which the subsurface transport of contaminants could be or is of concern: Yucca Mountain, which is the potential site of the United States high-level nuclear-waste disposal; and the Nevada Test Site, which contains a number of underground nuclear-testing locations. This application of the guidelines demonstrates how they may be used for model calibration and evaluation, and also to direct further model development and data collection.

Assessing conceptual models for subsurface reactive transport of inorganic contaminants

USGS Publications Warehouse

Davis, James A.; Yabusaki, Steven B.; Steefel, Carl; Zachara, John M.; Curtis, Gary P.; Redden, George D.; Criscenti, Louise J.; Honeyman, Bruce D.

2004-01-01

In many subsurface situations where human health and environmental quality are at risk (e.g., contaminant hydrogeology petroleum extraction, carbon sequestration, etc.),scientists and engineers are being asked by federal agency decision-makers to predict the fate of chemical species under conditions where both reactions and transport are processes of first-order importance.In 2002, a working group (WG) was formed by representatives of the U.S. Geological Survey, Environmental Protection Agency, Department of Energy Nuclear Regulatory Commission, Department of Agriculture, and Army Engineer Research and Development Center to assess the role of reactive transport modeling (RTM) in addressing these situations. Specifically the goals of the WG are to (1) evaluate the state of the art in conceptual model development and parameterization for RTM, as applied to soil,vadose zone, and groundwater systems, and (2) prioritize research directions that would enhance the practical utility of RTM.

A shallow subsurface controlled release facility in Bozeman, Montana, USA, for testing near surface CO2 detection techniques and transport models

USGS Publications Warehouse

Spangler, L.H.; Dobeck, L.M.; Repasky, K.S.; Nehrir, A.R.; Humphries, S.D.; Keith, C.J.; Shaw, J.A.; Rouse, J.H.; Cunningham, A.B.; Benson, S.M.; Oldenburg, C.M.; Lewicki, J.L.; Wells, A.W.; Diehl, J.R.; Strazisar, B.R.; Fessenden, J.E.; Rahn, T.A.; Amonette, J.E.; Barr, J.L.; Pickles, W.L.; Jacobson, J.D.; Silver, E.A.; Male, E.J.; Rauch, H.W.; Gullickson, K.S.; Trautz, R.; Kharaka, Y.; Birkholzer, J.; Wielopolski, L.

2010-01-01

A controlled field pilot has been developed in Bozeman, Montana, USA, to study near surface CO2 transport and detection technologies. A slotted horizontal well divided into six zones was installed in the shallow subsurface. The scale and CO2 release rates were chosen to be relevant to developing monitoring strategies for geological carbon storage. The field site was characterized before injection, and CO2 transport and concentrations in saturated soil and the vadose zone were modeled. Controlled releases of CO2 from the horizontal well were performed in the summers of 2007 and 2008, and collaborators from six national labs, three universities, and the U.S. Geological Survey investigated movement of CO2 through the soil, water, plants, and air with a wide range of near surface detection techniques. An overview of these results will be presented. ?? 2009 The Author(s).

PFLOTRAN Verification: Development of a Testing Suite to Ensure Software Quality

NASA Astrophysics Data System (ADS)

Hammond, G. E.; Frederick, J. M.

2016-12-01

In scientific computing, code verification ensures the reliability and numerical accuracy of a model simulation by comparing the simulation results to experimental data or known analytical solutions. The model is typically defined by a set of partial differential equations with initial and boundary conditions, and verification ensures whether the mathematical model is solved correctly by the software. Code verification is especially important if the software is used to model high-consequence systems which cannot be physically tested in a fully representative environment [Oberkampf and Trucano (2007)]. Justified confidence in a particular computational tool requires clarity in the exercised physics and transparency in its verification process with proper documentation. We present a quality assurance (QA) testing suite developed by Sandia National Laboratories that performs code verification for PFLOTRAN, an open source, massively-parallel subsurface simulator. PFLOTRAN solves systems of generally nonlinear partial differential equations describing multiphase, multicomponent and multiscale reactive flow and transport processes in porous media. PFLOTRAN's QA test suite compares the numerical solutions of benchmark problems in heat and mass transport against known, closed-form, analytical solutions, including documentation of the exercised physical process models implemented in each PFLOTRAN benchmark simulation. The QA test suite development strives to follow the recommendations given by Oberkampf and Trucano (2007), which describes four essential elements in high-quality verification benchmark construction: (1) conceptual description, (2) mathematical description, (3) accuracy assessment, and (4) additional documentation and user information. Several QA tests within the suite will be presented, including details of the benchmark problems and their closed-form analytical solutions, implementation of benchmark problems in PFLOTRAN simulations, and the criteria used to assess PFLOTRAN's performance in the code verification procedure. References Oberkampf, W. L., and T. G. Trucano (2007), Verification and Validation Benchmarks, SAND2007-0853, 67 pgs., Sandia National Laboratories, Albuquerque, NM.

Implementation Strategies for Large-Scale Transport Simulations Using Time Domain Particle Tracking

NASA Astrophysics Data System (ADS)

Painter, S.; Cvetkovic, V.; Mancillas, J.; Selroos, J.

2008-12-01

Time domain particle tracking is an emerging alternative to the conventional random walk particle tracking algorithm. With time domain particle tracking, particles are moved from node to node on one-dimensional pathways defined by streamlines of the groundwater flow field or by discrete subsurface features. The time to complete each deterministic segment is sampled from residence time distributions that include the effects of advection, longitudinal dispersion, a variety of kinetically controlled retention (sorption) processes, linear transformation, and temporal changes in groundwater velocities and sorption parameters. The simulation results in a set of arrival times at a monitoring location that can be post-processed with a kernel method to construct mass discharge (breakthrough) versus time. Implementation strategies differ for discrete flow (fractured media) systems and continuous porous media systems. The implementation strategy also depends on the scale at which hydraulic property heterogeneity is represented in the supporting flow model. For flow models that explicitly represent discrete features (e.g., discrete fracture networks), the sampling of residence times along segments is conceptually straightforward. For continuous porous media, such sampling needs to be related to the Lagrangian velocity field. Analytical or semi-analytical methods may be used to approximate the Lagrangian segment velocity distributions in aquifers with low-to-moderate variability, thereby capturing transport effects of subgrid velocity variability. If variability in hydraulic properties is large, however, Lagrangian velocity distributions are difficult to characterize and numerical simulations are required; in particular, numerical simulations are likely to be required for estimating the velocity integral scale as a basis for advective segment distributions. Aquifers with evolving heterogeneity scales present additional challenges. Large-scale simulations of radionuclide transport at two potential repository sites for high-level radioactive waste will be used to demonstrate the potential of the method. The simulations considered approximately 1000 source locations, multiple radionuclides with contrasting sorption properties, and abrupt changes in groundwater velocity associated with future glacial scenarios. Transport pathways linking the source locations to the accessible environment were extracted from discrete feature flow models that include detailed representations of the repository construction (tunnels, shafts, and emplacement boreholes) embedded in stochastically generated fracture networks. Acknowledgment The authors are grateful to SwRI Advisory Committee for Research, the Swedish Nuclear Fuel and Waste Management Company, and Posiva Oy for financial support.

A new numerical benchmark for variably saturated variable-density flow and transport in porous media

NASA Astrophysics Data System (ADS)

Guevara, Carlos; Graf, Thomas

2016-04-01

In subsurface hydrological systems, spatial and temporal variations in solute concentration and/or temperature may affect fluid density and viscosity. These variations could lead to potentially unstable situations, in which a dense fluid overlies a less dense fluid. These situations could produce instabilities that appear as dense plume fingers migrating downwards counteracted by vertical upwards flow of freshwater (Simmons et al., Transp. Porous Medium, 2002). As a result of unstable variable-density flow, solute transport rates are increased over large distances and times as compared to constant-density flow. The numerical simulation of variable-density flow in saturated and unsaturated media requires corresponding benchmark problems against which a computer model is validated (Diersch and Kolditz, Adv. Water Resour, 2002). Recorded data from a laboratory-scale experiment of variable-density flow and solute transport in saturated and unsaturated porous media (Simmons et al., Transp. Porous Medium, 2002) is used to define a new numerical benchmark. The HydroGeoSphere code (Therrien et al., 2004) coupled with PEST (www.pesthomepage.org) are used to obtain an optimized parameter set capable of adequately representing the data set by Simmons et al., (2002). Fingering in the numerical model is triggered using random hydraulic conductivity fields. Due to the inherent randomness, a large number of simulations were conducted in this study. The optimized benchmark model adequately predicts the plume behavior and the fate of solutes. This benchmark is useful for model verification of variable-density flow problems in saturated and/or unsaturated media.

Numerical investigation of road salt impact on an urban wellfield.

PubMed

Bester, M L; Frind, E O; Molson, J W; Rudolph, D L

2006-01-01

The impact of road salt on a wellfield in a complex glacial moraine aquifer system is studied by numerical simulation. The moraine underlies an extensive urban and industrial landscape, which draws its water supply from >20 wellfields, several of which are approaching or have exceeded the drinking water limit for chloride. The study investigates the mechanisms of road salt infiltration, storage, and transport in the subsurface and assesses the effectiveness of mitigation measures designed to reduce the impact. The three-dimensional transport model accounts for increases in salt loading, as well as growth of the urbanized area and road network over the past 50 years. The simulations, which focus on one impacted wellfield, show chloride plumes originating mainly at arterial roads and migrating through aquitard windows into the water supply aquifers. The results suggest that the aquifer system contains a large and heterogeneously distributed mass of chloride and that concentrations in the aquifer can be substantially higher than the concentrations in the well water. Future impact scenarios indicate that although the system responds rapidly to reductions in salt loading, the residual chloride mass may take decades to flush out, even if road salting were discontinued. The implications with respect to urban wellfields in typical snow-belt areas are discussed.