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Katherine Marie Ransom

Publications and source records attributed to Katherine Marie Ransom.

11 recordsLinked to original sources

Predictions of groundwater PFAS occurrence at drinking water supply depths in the United States

Per- and polyfluoroalkyl substances (PFAS), known colloquially as “forever chemicals”, have been associated with adverse human health effects and have contaminated drinking water supplies across the United States owing to their long-term and widespread use. People in the United States may unknowingly be drinking water that contains PFAS because of a lack of systematic analysis, particularly in domestic water supplies. We present an extreme gradient boosting model for predicting the occurrence of PFAS in groundwater at the depths of drinking water supply for the conterminous United States. Our model results indicate that 71 to 95 million people in the conterminous United States potentially rely on groundwater with detectable concentrations of PFAS for their drinking-water supplies prior to any treatment.

conterminous United States↗

Predicting regional fluoride concentrations at public and domestic supply depths in basin-fill aquifers of the western United States using a random forest model

A random forest regression (RFR) model was applied to over 12,000 wells with measured fluoride (F) concentrations in untreated groundwater to predict F concentrations at depths used for domestic and public supply in basin-fill aquifers of the western United States. The model relied on twenty-two regional-scale environmental and surficial predictor variables selected to represent factors known to control F concentrations in groundwater. The testing model fit R 2 and RMSE were 0.52 and 0.78 mg/L. Comparisons of measured to predicted proportions of four F-concentrations categories (<0.7 mg/L, 0.7–2 mg/L, >2 mg/L – 4 mg/L, and > 4 mg/L) indicate that the model performed well at making regional-scale predictions. Differences between measured and predicted proportions indicate underprediction of measured F at values by between 4 and 20 mg/L, representing less than 1% of the regional scale predicted values. These residuals most often map to geographic regions where local-scale processes including evaporative discharge in closed basins or intermittent streams concentrate fluoride in shallow groundwater. Despite this, the RFR model provides spatially continuous F predictions across the basin-fill aquifers where discrete samples are missing. Further, the predictions capture documented areas that exceed the F maximum contaminant level for drinking water of 4 mg/L and areas that are below the oral-health benchmark of 0.7 mg/L. These predictions can be used to estimate fluoride concentrations in unmonitored areas and to aid in identifying geographic areas that may require further investigation at localized scales.

Arizona, California, Colorado, New Mexico, Nevada,↗

Machine learning predicted redox conditions in the glacial aquifer system, northern continental United States

Groundwater supplies 50% of drinking water worldwide and 30% in the United States. Geogenic and anthropogenic contaminants can, however, compromise water quality, thus limiting groundwater availability. Reduction/oxidation (redox) processes and redox conditions affect groundwater quality by influencing the mobility and transport of common geogenic and anthropogenic contaminants. In the glacial aquifer system, northern United States (GLAC, 1.87 million km 2 ), groundwater with high arsenic or manganese concentration is associated with reducing conditions and high nitrate with oxidizing conditions. This study uses machine learning to identify the relative influence of drivers of redox conditions (e.g., residence time vs. reactivity) across the glacial landscape. We developed three‐dimensional boosted regression tree models to predict redox conditions using the likelihood of low dissolved oxygen or high iron as indicators of anoxic conditions. Results indicate that variation in redox condition is controlled primarily by residence time (e.g., groundwater age and relative depth) and to a lesser extent by geochemical reactivity (e.g., subsurface contact time, soil carbon). Older water and deeper wells, along with more water storage or slower water movement was associated with higher probability of anoxic conditions. Mapped model results illustrate regions where anoxic redox conditions may mobilize geogenic contaminants or oxic conditions may limit denitrification potential. Results may also provide simplified redox input for process or predictive models of, for example, arsenic, manganese, or nitrate. Machine learning modeling methods can lead to improved understanding of contaminant occurrence and what drives redox conditions, and the methods may be transferable to other settings.

Northern Continental United States↗

Machine-learning predictions of high arsenic and high manganese at drinking water depths of the glacial aquifer system, northern continental United States

Globally, over 200 million people are chronically exposed to arsenic (As) and/or manganese (Mn) from drinking water. We used machine-learning (ML) boosted regression tree (BRT) models to predict high As (>10 μg/L) and Mn (>300 μg/L) in groundwater from the glacial aquifer system (GLAC), which spans 25 states in the northern United States and provides drinking water to 30 million people. Our BRT models’ predictor variables (PVs) included recently developed three-dimensional estimates of a suite of groundwater age metrics, redox condition, and pH. We also demonstrated a successful approach to significantly improve ML prediction sensitivity for imbalanced data sets (small percentage of high values). We present predictions of the probability of high As and high Mn concentrations in groundwater, and uncertainty, at two nonuniform depth surfaces that represent moving median depths of GLAC domestic and public supply wells within the three-dimensional model domain. Predicted high likelihood of anoxic condition (high iron or low dissolved oxygen), predicted pH, relative well depth, several modeled groundwater age metrics, and hydrologic position were all PVs retained in both models; however, PV importance and influence differed between the models. High-As and high-Mn groundwater was predicted with high likelihood over large portions of the central part of the GLAC.

Environmental Science & Technology↗

Manganese in the Northern Atlantic Coastal Plain aquifer system, eastern USA—Modeling regional occurrence with pH, redox, and machine learning

Study region : The study was conducted in the Northern Atlantic Coastal Plain aquifer system, eastern USA, an important water supply in a densely populated region. Study focus : Manganese (Mn), an emerging health concern and common nuisance contaminant in drinking water, is mapped and modeled using the XGBoost machine learning method, predictions of pH and redox conditions from previous models, and other explanatory variables that describe the groundwater flow system and surface characteristics. Methods to address the imbalanced occurrence of elevated and low Mn concentrations are compared and used to more accurately predict concentrations of interest for human health and drinking water quality. New hydrological insights for the region : Elevated Mn concentrations were more likely in shallow groundwater, close to recharge areas and in topographically low areas where soil or unsaturated processes influence groundwater quality. Predicted concentrations greater than the health threshold of 300 micrograms per liter extended across 17 % of the surficial aquifer area, but across <1% of the areas of underlying aquifers. pH and variables related to flow-system position and near-surface processes were more important predictors than the probability of low dissolved oxygen (DO). Mapped variable influence (SHAP values) showed that both pH and DO variables were related to hydrogeologic conditions. Class weights, which improved the predictive ability for elevated Mn without altering the data, was the preferred method to address class imbalance.

Maryland, New Jersey, New York, North Carolina, Pe↗

Machine learning predictions of mean ages of shallow well samples in the Great Lakes Basin, USA

The travel time or “age” of groundwater affects catchment responses to hydrologic changes , geochemical reactions, and time lags between management actions and responses at down-gradient streams and wells. Use of atmospheric tracers has facilitated the characterization of groundwater ages, but most wells lack such measurements. This study applied machine learning to predict ages in wells across a large region around the Great Lakes Basin using well, chemistry, and landscape characteristics. For a dataset of age tracers in 961 samples, the travel time from the land surface to the sample location was estimated for each sample using parametric functions. The mean travel times were then modeled using a gradient boosting machine (GBM) algorithm with cross validation tuning of model metaparameters. The GBM approach was able to closely match estimated ages for the training data (RMSE = 0.26 natural-log scale years) and provided a reasonable match to testing data (RMSE = 0.84). Of the variables tested, well characteristics (e.g. depth), land use, hydrologic indicators (e.g. topographic wetness index), and water chemistry (e.g. nitrate, fluoride, and pH), substantially affected the predictions of age. GBM prediction was applied to 14,335 groundwater samples with median sample depth of 5.4 m, indicating for the Great Lakes Basin a broad distribution of ages among wells with a median of 32.9 years. Lag times of decades are likely for these wells to respond to changing solute fluxes near land surface. While depth variables most strongly affected predicted mean ages, chemical constituents exhibited smooth trends with age, consistent with prevailing conceptual models of evolving sources and geochemistry flowpaths. The results provide proof of concept for use of readily available variables of well, landscape, and chemical characteristics to improve groundwater age estimates across large regions.

Great Lakes basin↗

Groundwater quality of aquifers overlying the Oxnard Oil Field, Ventura County, California

Groundwater samples collected from irrigation, monitoring, and municipal supply wells near the Oxnard Oil Field were analyzed for chemical and isotopic tracers to evaluate if thermogenic gas or water from hydrocarbon-bearing formations have mixed with surrounding groundwater. New and historical data show no evidence of water from hydrocarbon-bearing formations in groundwater overlying the field. However, thermogenic gas mixed with microbial methane was detected in 5 wells at concentrations ranging from 0.011–9.1 mg/L. The presence of these gases at concentrations <10 mg/L do not indicate degraded water quality posing a known health risk. Analysis of carbon isotopes (δ 13 C-CH 4 ) and hydrogen isotopes (δ 2 H-CH 4 ) of methane and ratios of methane to heavier hydrocarbon gases were used to differentiate sources of methane between a) microbial, b) thermogenic or c) mixed sources. Results indicate that microbial-sourced methane is widespread in the study area, and concentrations overlap with those from thermogenic sources. The highest concentrations of thermogenic gas were observed in proximity to relatively high density of oil wells, large injection volumes of water disposal and cyclic steam, shallow oil development, and hydrocarbon shows in sediments overlying the producing oil reservoirs. Depths of water wells containing thermogenic gas were within approximately 200 m of the top of the Vaca Tar Sand production zone (approximately 600 m below land surface). Due to the limited sampling density, the source and pathways of thermogenic gas detected in groundwater could not be conclusively determined. Thermogenic gas detected in the absence of co-occurring water from hydrocarbon-bearing formations may result from natural gas migration over geologic time from the Vaca Tar Sand or deeper formations, hydrocarbon shows in sediments overlying producing zones, and/or gas leaking from oil-field infrastructure. Denser sampling of groundwater, potential end-members, and pressure monitoring could help better distinguish pathways of thermogenic gases.

California↗

Machine learning predictions of nitrate in groundwater used for drinking supply in the conterminous United States

Groundwater is an important source of drinking water supplies in the conterminous United State (CONUS), and presence of high nitrate concentrations may limit usability of groundwater in some areas because of the potential negative health effects. Prediction of locations of high nitrate groundwater is needed to focus mitigation and relief efforts. A three-dimensional extreme gradient boosting (XGB) machine learning model was developed to predict the distribution of nitrate. Nitrate was predicted at a 1 km resolution for two drinking water zones, each of variable depth, one for domestic supply and one for public supply. The model used measured nitrate concentrations from 12,082 wells and included predictor variables representing well characteristics, hydrologic conditions, soil type, geology, land use, climate, and nitrogen inputs. Predictor variables derived from empirical or numerical process-based models were also included to integrate information on controlling processes and conditions. The model provided accurate estimates at national and regional scales: the training (R 2 of 0.83) and hold-out (R 2 of 0.49) data fits compared favorably to previous studies. Predicted nitrate concentrations were less than 1 mg/L across most of the CONUS. Nationally, well depth, soil and climate characteristics, and the absence of developed land use were among the most influential explanatory factors. Only 1% of the area in either water supply zone had predicted nitrate concentrations greater than 10 mg/L; however, about 1.4 M people depend on groundwater for their drinking supplies in those areas. Predicted high concentrations of nitrate were most prevalent in the central CONUS. In areas of predicted high nitrate concentration, applied manure, farm fertilizer , and agricultural land use were influential predictor variables. This work represents the first application of XGB to a three-dimensional national-scale groundwater quality model and provides a significant milestone in the efforts to document nitrate in groundwater across the CONUS.

Science of the Total Environment↗

Machine learning predictions of pH in the Glacial Aquifer System, Northern USA

A boosted regression tree model was developed to predict pH conditions in three dimensions throughout the glacial aquifer system of the contiguous United States using pH measurements in samples from 18,386 wells and predictor variables that represent aspects of the hydrogeologic setting. Model results indicate that the carbonate content of soils and aquifer materials strongly controls pH and, when coupled with long flowpaths, results in the most alkaline conditions. Conversely, in areas where glacial sediments are thin and carbonate‐poor, pH conditions remain acidic. At depths typical of drinking‐water supplies, predicted pH >7.5—which is associated with arsenic mobilization—occurs more frequently than predicted pH <6—which is associated with water corrosivity and the mobilization of other trace elements. A novel aspect of this model was the inclusion of numerically based estimates of groundwater flow characteristics (age and flowpath length) as predictor variables. The sensitivity of pH predictions to these variables was consistent with hydrologic understanding of groundwater flow systems and the geochemical evolution of groundwater quality. The model was not developed to provide precise estimates of pH at any given location. Rather, it can be used to more generally identify areas where contaminants may be mobilized into groundwater and where corrosivity issues may be of concern to prioritize areas for future groundwater monitoring.

Groundwater↗

Using boosted regression tree models to predict salinity in Mississippi embayment aquifers, central United States

High salinity limits groundwater use in parts of the Mississippi embayment. Machine learning was used to create spatially continuous and three‐dimensional predictions of salinity across drinking‐water aquifers in the embayment. Boosted regression tree (BRT) models, a type of machine learning, were used to predict specific conductance (SC) and chloride (Cl), and total dissolved solids (TDS) was calculated from a correlation with SC. Explanatory variables for BRT models included well location and construction, surficial variables (e.g., soils and land use), and variables extracted from a groundwater‐flow model, including simulated groundwater ages. BRT model fits ( r 2 ) were 0.74 (SC and Cl) and 0.62 (TDS). BRT models provided spatially continuous salinity predictions across surficial and deeper aquifers where discrete water‐quality samples were missing. Uncertainty was smaller where salinity was lower, and models tended to underpredict in areas of highest salinity. Despite this, BRT models were able to capture areas of documented high salinity that exceed the TDS secondary maximum contaminant level for drinking water of 500 mg/L. Variables that served as surrogates for position along groundwater flowpaths were the most important predictors, indicating that much of the control on dissolved solids is related to rock‐water interaction as residence time increases. BRT models additionally support hypotheses of both surficial and deep sources of salinity.

Alabama, Arkansas, Kentucky, Louisiana, Mississipp↗

Machine-learning models to map pH and redox conditions in groundwater in a layered aquifer system, Northern Atlantic Coastal Plain, eastern USA

Study region The study was conducted in the Northern Atlantic Coastal Plain aquifer system, in the eastern USA. Study focus Groundwater pH and redox conditions are fundamental chemical characteristics controlling the distribution of many contaminants of concern for drinking water or the ecological health of receiving waters. In this study, pH and redox conditions were modeled and mapped in a complex, layered aquifer system. Machine-learning methods (boosted regression trees) were applied to data from 3000 to 5000 wells. Predicted pH and the probability of anoxic conditions, defined by three thresholds of dissolved oxygen (0.5, 1, and 2 mg/L), were mapped at the 1-km 2 scale for each of 10 regional aquifer layers. New Hydrological Insights for the Region Maps depict the extent of acidic groundwater and oxic conditions in the shallow, unconfined surficial aquifer and in unconfined, recharge-proximal areas of underlying aquifers, in contrast to alkaline and anoxic groundwater elsewhere. Geographic patterns and influential predictors–including elevation, overlying confining-units thickness, and simulated groundwater age and flux–are consistent with prior understanding of the processes controlling pH and redox in the aquifer system. The model-based maps support robust estimates of aquifer proportions, either areal or volumetric, likely to contain groundwater of a specified quality or be vulnerable to specific pH- or redox-sensitive contaminants. The machine-learning methods were an effective tool to map groundwater quality at the regional scale.

New Jersey, Maryland, Delaware, Virginia↗