Geology topics

Gary P. Curtis

Publications and source records attributed to Gary P. Curtis.

14 recordsLinked to original sources

USGS2017

Bioremediation in fractured rock: 1. Modeling to inform design, monitoring, and expectations

Field characterization of a trichloroethene (TCE) source area in fractured mudstones produced a detailed understanding of the geology, contaminant distribution in fractures and the rock matrix, and hydraulic and transport properties. Groundwater flow and chemical transport modeling that synthesized the field characterization information proved critical for designing bioremediation of the source area. The planned bioremediation involved injecting emulsified vegetable oil and bacteria to enhance the naturally occurring biodegradation of TCE. The flow and transport modeling showed that injection will spread amendments widely over a zone of lower‐permeability fractures, with long residence times expected because of small velocities after injection and sorption of emulsified vegetable oil onto solids. Amendments transported out of this zone will be diluted by groundwater flux from other areas, limiting bioremediation effectiveness downgradient. At nearby pumping wells, further dilution is expected to make bioremediation effects undetectable in the pumped water. The results emphasize that in fracture‐dominated flow regimes, the extent of injected amendments cannot be conceptualized using simple homogeneous models of groundwater flow commonly adopted to design injections in unconsolidated porous media (e.g., radial diverging or dipole flow regimes). Instead, it is important to synthesize site characterization information using a groundwater flow model that includes discrete features representing high‐ and low‐permeability fractures. This type of model accounts for the highly heterogeneous hydraulic conductivity and groundwater fluxes in fractured‐rock aquifers, and facilitates designing injection strategies that target specific volumes of the aquifer and maximize the distribution of amendments over these volumes.

Groundwater↗

USGS2017

Bioremediation in fractured rock: 2. Mobilization of chloroethene compounds from the rock matrix

A mass balance is formulated to evaluate the mobilization of chlorinated ethene compounds (CE) from the rock matrix of a fractured mudstone aquifer under pre- and postbioremediation conditions. The analysis relies on a sparse number of monitoring locations and is constrained by a detailed description of the groundwater flow regime. Groundwater flow modeling developed under the site characterization identified groundwater fluxes to formulate the CE mass balance in the rock volume exposed to the injected remediation amendments. Differences in the CE fluxes into and out of the rock volume identify the total CE mobilized from diffusion, desorption, and nonaqueous phase liquid dissolution under pre- and postinjection conditions. The initial CE mass in the rock matrix prior to remediation is estimated using analyses of CE in rock core. The CE mass mobilized per year under preinjection conditions is small relative to the total CE mass in the rock, indicating that current pump-and-treat and natural attenuation conditions are likely to require hundreds of years to achieve groundwater concentrations that meet regulatory guidelines. The postinjection CE mobilization rate increased by approximately an order of magnitude over the 5 years of monitoring after the amendment injection. This rate is likely to decrease and additional remediation applications over several decades would still be needed to reduce CE mass in the rock matrix to levels where groundwater concentrations in fractures achieve regulatory standards.

New Jersey↗

USGS2017

Extent and persistence of secondary water quality impacts after enhanced reductive bioremediation

Electron donor (ED) addition can be very effective in stimulating enhanced reductive bioremediation (ERB) of a wide variety of groundwater contaminants. However, ERB can result in Secondary Water Quality Impacts (SWQIs) including decreased levels of dissolved oxygen (O 2 ), nitrate (NO 3- ), and sulfate (SO 4 2- ), and elevated levels of dissolved manganese (Mn 2+ ), dissolved iron (Fe 2+ ), methane (CH 4 ), sulfide (S 2- ), organic carbon, and naturally occurring hazardous compounds (e.g., arsenic). Fortunately, this ‘plume’ of impacted groundwater is usually confined within the original contaminant plume and is unlikely to adversely impact potable water supplies. This report summarizes available information on processes controlling the production and natural attenuation of SWQI parameters and can be used as a guide in understanding the magnitude, areal extent, and duration of SWQIs in ERB treatment zones and the natural attenuation of SWQI parameters as the dissolved solutes migrate downgradient with ambient groundwater flow. This information was compiled from a wide variety of sources including a survey and statistical analysis of SWQIs from 47 ERB sites, geochemical model simulations, field studies at sites where organic-rich materials have entered the subsurface (e.g., wastewater, landfill leachate, and hydrocarbon plumes), and basic information on physical, chemical, and biological processes in the subsurface. This information is then integrated to provide a general conceptual model of the major processes controlling SWQI production and attenuation.

Technical Report↗

USGS2015

Maximum likelihood Bayesian model averaging and its predictive analysis for groundwater reactive transport models

While Bayesian model averaging (BMA) has been widely used in groundwater modeling, it is infrequently applied to groundwater reactive transport modeling because of multiple sources of uncertainty in the coupled hydrogeochemical processes and because of the long execution time of each model run. To resolve these problems, this study analyzed different levels of uncertainty in a hierarchical way, and used the maximum likelihood version of BMA, i.e., MLBMA, to improve the computational efficiency. This study demonstrates the applicability of MLBMA to groundwater reactive transport modeling in a synthetic case in which twenty-seven reactive transport models were designed to predict the reactive transport of hexavalent uranium (U(VI)) based on observations at a former uranium mill site near Naturita, CO. These reactive transport models contain three uncertain model components, i.e., parameterization of hydraulic conductivity, configuration of model boundary, and surface complexation reactions that simulate U(VI) adsorption. These uncertain model components were aggregated into the alternative models by integrating a hierarchical structure into MLBMA. The modeling results of the individual models and MLBMA were analyzed to investigate their predictive performance. The predictive logscore results show that MLBMA generally outperforms the best model, suggesting that using MLBMA is a sound strategy to achieve more robust model predictions relative to a single model. MLBMA works best when the alternative models are structurally distinct and have diverse model predictions. When correlation in model structure exists, two strategies were used to improve predictive performance by retaining structurally distinct models or assigning smaller prior model probabilities to correlated models. Since the synthetic models were designed using data from the Naturita site, the results of this study are expected to provide guidance for real-world modeling. Limitations of applying MLBMA to the synthetic study and future real-world modeling are discussed.

California↗

USGS2015

Upscaling of U (VI) desorption and transport from decimeter‐scale heterogeneity to plume‐scale modeling

Scientifically defensible predictions of field scale U(VI) transport in groundwater requires an understanding of key processes at multiple scales. These scales range from smaller than the sediment grain scale (less than 10 μm) to as large as the field scale which can extend over several kilometers. The key processes that need to be considered include both geochemical reactions in solution and at sediment surfaces as well as physical transport processes including advection, dispersion, and pore-scale diffusion. The research summarized in this report includes both experimental and modeling results in batch, column and tracer tests. The objectives of this research were to: (1) quantify the rates of U(VI) desorption from sediments acquired from a uranium contaminated aquifer in batch experiments;(2) quantify rates of U(VI) desorption in column experiments with variable chemical conditions, and(3) quantify nonreactive tracer and U(VI) transport in field tests.

Colorado↗

USGS2014

Assessment of parametric uncertainty for groundwater reactive transport modeling,

The validity of using Gaussian assumptions for model residuals in uncertainty quantification of a groundwater reactive transport model was evaluated in this study. Least squares regression methods explicitly assume Gaussian residuals, and the assumption leads to Gaussian likelihood functions, model parameters, and model predictions. While the Bayesian methods do not explicitly require the Gaussian assumption, Gaussian residuals are widely used. This paper shows that the residuals of the reactive transport model are non-Gaussian, heteroscedastic, and correlated in time; characterizing them requires using a generalized likelihood function such as the formal generalized likelihood function developed by Schoups and Vrugt (2010). For the surface complexation model considered in this study for simulating uranium reactive transport in groundwater, parametric uncertainty is quantified using the least squares regression methods and Bayesian methods with both Gaussian and formal generalized likelihood functions. While the least squares methods and Bayesian methods with Gaussian likelihood function produce similar Gaussian parameter distributions, the parameter distributions of Bayesian uncertainty quantification using the formal generalized likelihood function are non-Gaussian. In addition, predictive performance of formal generalized likelihood function is superior to that of least squares regression and Bayesian methods with Gaussian likelihood function. The Bayesian uncertainty quantification is conducted using the differential evolution adaptive metropolis (DREAM (zs) ) algorithm; as a Markov chain Monte Carlo (MCMC) method, it is a robust tool for quantifying uncertainty in groundwater reactive transport models. For the surface complexation model, the regression-based local sensitivity analysis and Morris- and DREAM (ZS) -based global sensitivity analysis yield almost identical ranking of parameter importance. The uncertainty analysis may help select appropriate likelihood functions, improve model calibration, and reduce predictive uncertainty in other groundwater reactive transport and environmental modeling.

Water Resources Research↗

USGS2013

Effects of error covariance structure on estimation of model averaging weights and predictive performance

When conducting model averaging for assessing groundwater conceptual model uncertainty, the averaging weights are often evaluated using model selection criteria such as AIC, AICc, BIC, and KIC (Akaike Information Criterion, Corrected Akaike Information Criterion, Bayesian Information Criterion, and Kashyap Information Criterion, respectively). However, this method often leads to an unrealistic situation in which the best model receives overwhelmingly large averaging weight (close to 100%), which cannot be justified by available data and knowledge. It was found in this study that this problem was caused by using the covariance matrix, C E , of measurement errors for estimating the negative log likelihood function common to all the model selection criteria. This problem can be resolved by using the covariance matrix, C ek , of total errors (including model errors and measurement errors) to account for the correlation between the total errors. An iterative two-stage method was developed in the context of maximum likelihood inverse modeling to iteratively infer the unknown C ek from the residuals during model calibration. The inferred C ek was then used in the evaluation of model selection criteria and model averaging weights. While this method was limited to serial data using time series techniques in this study, it can be extended to spatial data using geostatistical techniques. The method was first evaluated in a synthetic study and then applied to an experimental study, in which alternative surface complexation models were developed to simulate column experiments of uranium reactive transport. It was found that the total errors of the alternative models were temporally correlated due to the model errors. The iterative two-stage method using C ek resolved the problem that the best model receives 100% model averaging weight, and the resulting model averaging weights were supported by the calibration results and physical understanding of the alternative models. Using C ek obtained from the iterative two-stage method also improved predictive performance of the individual models and model averaging in both synthetic and experimental studies.

Water Resources Research↗

USGS2013

Simultaneous estimation of local-scale and flow path-scale dual-domain mass transfer parameters using geoelectrical monitoring

Anomalous solute transport, modeled as rate-limited mass transfer, has an observable geoelectrical signature that can be exploited to infer the controlling parameters. Previous experiments indicate the combination of time-lapse geoelectrical and fluid conductivity measurements collected during ionic tracer experiments provides valuable insight into the exchange of solute between mobile and immobile porosity. Here, we use geoelectrical measurements to monitor tracer experiments at a former uranium mill tailings site in Naturita, Colorado. We use nonlinear regression to calibrate dual-domain mass transfer solute-transport models to field data. This method differs from previous approaches by calibrating the model simultaneously to observed fluid conductivity and geoelectrical tracer signals using two parameter scales: effective parameters for the flow path upgradient of the monitoring point and the parameters local to the monitoring point. We use regression statistics to rigorously evaluate the information content and sensitivity of fluid conductivity and geophysical data, demonstrating multiple scales of mass transfer parameters can simultaneously be estimated. Our results show, for the first time, field-scale spatial variability of mass transfer parameters (i.e., exchange-rate coefficient, porosity) between local and upgradient effective parameters; hence our approach provides insight into spatial variability and scaling behavior. Additional synthetic modeling is used to evaluate the scope of applicability of our approach, indicating greater range than earlier work using temporal moments and a Lagrangian-based Damköhler number. The introduced Eulerian-based Damköhler is useful for estimating tracer injection duration needed to evaluate mass transfer exchange rates that range over several orders of magnitude.

Water Resources Research↗

USGS2013

Kinetics of homogeneous and surface-catalyzed mercury(II) reduction by iron(II)

Production of elemental mercury, Hg(0), via Hg(II) reduction is an important pathway that should be considered when studying Hg fate in environment. We conducted a kinetic study of abiotic homogeneous and surface-catalyzed Hg(0) production by Fe(II) under dark anoxic conditions. Hg(0) production rate, from initial 50 pM Hg(II) concentration, increased with increasing pH (5.5–8.1) and aqueous Fe(II) concentration (0.1–1 mM). The homogeneous rate was best described by the expression, r hom = k hom [FeOH + ] [Hg(OH) 2 ]; k hom = 7.19 × 10 +3 L (mol min) −1 . Compared to the homogeneous case, goethite (α-FeOOH) and hematite (α-Fe 2 O 3 ) increased and γ-alumina (γ-Al 2 O 3 ) decreased the Hg(0) production rate. Heterogeneous Hg(0) production rates were well described by a model incorporating equilibrium Fe(II) adsorption, rate-limited Hg(II) reduction by dissolved and adsorbed Fe(II), and rate-limited Hg(II) adsorption. Equilibrium Fe(II) adsorption was described using a surface complexation model calibrated with previously published experimental data. The Hg(0) production rate was well described by the expression r het = k het [>SOFe (II) ] [Hg(OH) 2 ], where >SOFe (II) is the total adsorbed Fe(II) concentration; k het values were 5.36 × 10 +3 , 4.69 × 10 +3 , and 1.08 × 10 +2 L (mol min) −1 for hematite, goethite, and γ-alumina, respectively. Hg(0) production coupled to reduction by Fe(II) may be an important process to consider in ecosystem Hg studies.

Environmental Science & Technology↗

USGS2011

Assessing conceptual models for subsurface reactive transport of inorganic contaminants

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.

Eos, Transactions, American Geophysical Union↗

USGS2011

Inversion of multi-frequency electromagnetic induction data for 3D characterization of hydraulic conductivity

Electromagnetic induction (EMI) instruments provide rapid, noninvasive, and spatially dense data for characterization of soil and groundwater properties. Data from multi-frequency EMI tools can be inverted to provide quantitative electrical conductivity estimates as a function of depth. In this study, multi-frequency EMI data collected across an abandoned uranium mill site near Naturita, Colorado, USA, are inverted to produce vertical distribution of electrical conductivity ( EC ) across the site. The relation between measured apparent electrical conductivity ( EC a ) and hydraulic conductivity ( K ) is weak (correlation coefficient of 0.20), whereas the correlation between the depth dependent EC obtained from the inversions, and K is sufficiently strong to be used for hydrologic estimation (correlation coefficient of − 0.62). Depth-specific EC values were correlated with co-located K measurements to develop a site-specific ln( EC )–ln( K ) relation. This petrophysical relation was applied to produce a spatially detailed map of K across the study area. A synthetic example based on EC a values at the site was used to assess model resolution and correlation loss given variations in depth and/or measurement error. Results from synthetic modeling indicate that optimum correlation with K occurs at ~ 0.5 m followed by a gradual correlation loss of 90% at 2.3 m. These results are consistent with an analysis of depth of investigation (DOI) given the range of frequencies, transmitter–receiver separation, and measurement errors for the field data. DOIs were estimated at 2.0 ± 0.5 m depending on the soil conductivities. A 4-layer model, with varying thicknesses, was used to invert the EC a to maximize available information within the aquifer region for improved correlations with K . Results show improved correlation between K and the corresponding inverted EC at similar depths, underscoring the importance of inversion in using multi-frequency EMI data for hydrologic estimation.

Journal of Applied Geophysics↗

USGS2007

Research activities at U.S. Government agencies in subsurface reactive transport modeling

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 of coupled chemical and physical processes. Adsorption, desorption, ion exchange, precipitation, dissolution, growth, solid solution, redox, microbial activity, and other processes are often incorporated into reactive transport models for the prediction of contaminant fate and transport. U.S. federal agencies use such models to evaluate contaminant transport and provide guidance to decision makers and regulators for treatment issues. We provide summaries of selected research projects and programs to demonstrate the level of activity in various applications and to present examples of recent advances in subsurface reactive transport modeling.

Vadose Zone Journal↗

USGS2005

Review of the transport of selected radionuclides in the interim risk assessment for the Radioactive Waste Management Complex, Waste Area Group 7 Operable Unit 7-13/14, Idaho National Engineering and Environmental Laboratory, Idaho

The U.S. Department of Energy (DOE) requested that the U.S. Geological Survey conduct an independent technical review of the Interim Risk Assessment (IRA) and Contaminant Screening for the Waste Area Group 7 (WAG-7) Remedial Investigation, the draft Addendum to the Work Plan for Operable Unit 7-13/14 WAG-7 comprehensive Remedial Investigation and Feasibility Study (RI/FS), and supporting documents that were prepared by Lockheed Martin Idaho Technologies, Inc. The purpose of the technical review was to assess the data and geotechnical approaches that were used to estimate future risks associated with the release of the actinides americium, uranium, neptunium, and plutonium to the Snake River Plain aquifer from wastes buried in pits and trenches at the Subsurface Disposal Area (SDA). The SDA is located at the Radioactive Waste Management Complex in southeastern Idaho within the boundaries of the Idaho National Engineering and Environmental Laboratory. Radionuclides have been buried in pits and trenches at the SDA since 1957 and 1952, respectively. Burial of transuranic wastes was discontinued in 1982. The five specific tasks associated with this review were defined in a ?Proposed Scope of Work? prepared by the DOE, and a follow-up workshop held in June 1998. The specific tasks were (1) to review the radionuclide sampling data to determine how reliable and significant are the reported radionuclide detections and how reliable is the ongoing sampling program, (2) to assess the physical and chemical processes that logically can be invoked to explain true detections, (3) to determine if distribution coefficients that were used in the IRA are reliable and if they have been applied properly, (4) to determine if transport model predictions are technically sound, and (5) to identify issues needing resolution to determine technical adequacy of the risk assessment analysis, and what additional work is required to resolve those issues.

Idaho↗

USGS2003

Comparison of approaches for simulating reactive solute transport involving organic degradation reactions by multiple terminal electron acceptors

Reactive solute transport models are useful tools for analyzing complex geochemical behavior resulting from biodegradation of organic compounds by multiple terminal electron acceptors (TEAPs). The usual approach of simulating the reactions of multiple TEAPs by an irreversible Monod rate law was compared with simulations that assumed a partial local equilibrium or kinetically controlled reactions subject to the requirement that the Gibbs free energy of reaction (Δ G) was either less than zero or less than a threshold value. Simulations were performed using a single organic substrate and O 2 , FeOOH, SO 4 -2 and CO 2 as the terminal electron acceptors. It was assumed that the organic substrate was slowly and completely fermented to CO 2 and H 2 and the H 2 was oxidized by the TEAPs. Simulations using the Monod approach showed that this irreversible rate law forced the reduction of both FeOOH and CO 2 to proceed even when Δ G was positive. This resulted in an over prediction in amount of FeOOH reduced to Fe(II) in parts of the domain and it resulted in large errors in pH. Simulations using mass action kinetics agreed with equilibrium simulations for the case of large rate constants. The extent of reductive dissolution of FeOOH was strongly dependent on the thermodynamic stability of the FeOOH phase. Transport simulations performed assuming that the reactions of the TEAPs stopped when Δ G exceeded a threshold value showed that only simulated H 2 concentrations were affected if the threshold value was the same for each TEAP. Simulated H2 concentrations were controlled by the fastest reaction of the TEAP, but it was common for reactions to occur concomitantly rather than sequentially.

Computers & Geosciences↗