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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Surface water and groundwater FTICR-MS, NPOC, and TN from nine wetlands and three upland wells at the Tanglewood Biological Station, Alabama

This dataset supports a broader study examining wetland hydrobiogeochemical responses to flood disturbance and the subsequent impacts on watershed nutrient export. The study was designed following ICON (integrated, coordinated, open, and networked) principles. Samples were collected from nine wetlands and three upland wells at the Tanglewood Biological Station, Alabama in August 2024 and February 2025, during the dry and wet season, respectively. The contents include geochemistry (dissolved organic carbon measured as non-purgeable organic carbon; total dissolved nitrogen) and organic matter characterization (FTICR-MS). Related water level data from the same locations can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/2530253. Additional geochemistry will be published in a separate data package. For details on how to navigate this data package, see this infographic from the River Corridor SFA https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions.This dataset is comprised of (1) a folder containing environmental context photos; (2) file-level metadata; (3) data dictionary; (4) field metadata; (5) readme; (6) international generic sample number (IGSN) mapping file; (7) the field protocol; and (8) a subfolder with sample data. The sample data subfolder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) total nitrogen data and averages; (3) methods codes; and (4) a subfolder of 12 Tesla (12T) Fourier-transform ion cyclotron resonance mass spectrometry (FTICR-MS) data. All files are .csv, .pdf, .jpeg, or .jpg.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Dated soil C–N–P profiles, water quality, and chamber fluxes across Ohio and Michigan wetlands (2024–2025)

This dataset includes dated soil core chemistry (bulk density, phosphorus, nitrogen and carbon concentrations), water quality, and chamber flux measurements collected from wetlands in the Midwest United States—12 sites in Ohio, one site in Indiana, one site in Michigan—collected in the spring or summer of 2024 or 2025, all in (.csv) format. These data were generated to examine how wetland restoration, management activities, and time since restoration affect biogeochemical processes, carbon sequestration, nutrient accumulation, water quality, and greenhouse gas emissions. Specifically, these data aim to investigate how restored wetlands differ from natural wetlands in terms of carbon, nitrogen, phosphorus dynamics, as well as carbon dioxide and methane fluxes. Also included are surface and porewater quality parameters and chamber flux measurements across these different wetlands. Sampling was conducted at various sites representing a range of restoration stages, from about 4 years post-restoration up to 105 years post-restoration, and also includes a natural wetland used as a reference in Michigan. These data can be used to determine carbon sequestration rates, nutrient cycling, and to enhance our understanding of biogeochemical responses to wetland restoration in temperate ecosystems. This data package contains (1) a csv file (Water_Quality.csv) containing water quality data (dissolved organic carbon, total dissolved nitrogen, and temperature) organized by location; (2) a csv file (Soil_C_N_P_Seq.csv) containing carbon, nitrogen, and phosphorus concentrations at each soil level and time of each soil level, as well as their sequestration rates; (3) a csv file (CH4_CO2_Flux.csv) including methane and carbon dioxide fluxes that were measured with a chamber; (4) a file-level metadata (FLMD.csv) file that lists each file contained in the dataset with associated metadata; (5) a data dictionary (DD.csv) file that contains terms/column headers used throughout the files along with a definition, units, and data type; and (6) a locations metadata file (Location_metadata.csv).

Earth Science > Atmosphere > Atmospheric Chemistry↗
DOE OSTI2020

Self-Repairing Polymer-Modified Cements for High Temperature Geothermal and Fossil Energy Applications

In this work five novel polymer-cement composite formulations were prepared and evaluated as potential cementitious material alternatives to conventional wellbore cement. These cement composites were cured at 200 °C and their mechanical properties, including compressive strength, Young modulus, shear bond strength to steel casing, and self-healing and re-adhering (to steel) capability. Thermal stability was also evaluated by curing these cement materials at 200 °C for up to one month followed by determining their mineralogy and chemical composition by X-ray diffraction spectroscopy, 13C NMR, and total organic carbon. Permeability analysis was performed before and after healing a longitudinal fracture on unmodified cements and polymer-cement composites with the later showing lower (2nd/1st) permeability ratios with respect to base cements. Furthermore, a reduction in permeability of up to 80X on average with respect to their unmodified (base) cement, was observed in two polymer-cement formulations suggesting that the introduction of these polymers bring about self-healing capability. Two of the best performing polymer-cement composites were exposed to 30-day curing period at 200 °C showing that their self-healing capability is maintained. The composite stability is associated to the fact that the polymer material is stable as demonstrated by total organic carbon and NMR spectroscopy. These advanced polymer-cement composites with higher ductility and self-healing capability could be used as alternative wellbore cement materials for geothermal and fossil energy applications.

Rod, Kenton A.↗
DOE OSTI2026

WHONDRS Surface Water Geochemistry and Organic Matter Characterization Data from Streams Distributed across Latin America

This dataset supports a broader study examining global transferability of stream biogeochemistry and was generated in collaboration with the MicroSudAqua (µSudAqua) network (https://microsudaqua.netlify.app/en/). The dataset provides surface water geochemistry (dissolved organic carbon, total dissolved nitrogen, cations) and organic matter characterization (FTICR-MS) from streams in Argentina, Brazil, Chile, and Colombia. Samples were collected across stream orders (1st to 6th order) within five basins. Related data were collected and will be published separately in collaboration with the µSudAqua network. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to this readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) a folder of field photos; (2) a folder of surface water sample data, (3) a folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data; (4) file-level metadata; (5) data dictionary; (6) field metadata; (7) readme; (8) international generic sample number (IGSN) mapping file; and (9) field protocol. The sample data subfolder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) total dissolved nitrogen data and averages; (3) anions and averages; (4) methods codes; (5) FTICR-MS methods; and (15) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains the processed data and three subfolders, one containing the .xml files, one containing the water CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4.

Anions↗
DOE OSTI2022

Total metals, sulfur and organic carbon data; Slate River floodplain, Crested Butte, CO; March 2021-October 2021

This data package includes processed and undiluted measurements for metal, sulfur and organic carbon concentrations from pore water (groundwater) samples from the Slate River floodplain of Crested Butte, CO, a focus field site for the SLAC Floodplain Hydro-Biogeochemistry SFA. The data was generated as part of the work targeting the overarching research question for the SLAC SFA: How do ubiquitous subsurface interfaces mediate molecular-scale biogeochemical processes and groundwater quality in floodplains and watersheds? Samples were collected between March and October of 2021. These measurements were all recorded at the Environmental Measurements Facility (EM-1) at Stanford University in Stanford, CA. Groundwater samples were extracted from a network of installed rhizon (Rhizosphere Research Products, part no. 19.60.21F, 0.6 micrometer mesh size) and piezometer wells within the river floodplain. All water samples were shaded from sun exposure during extraction from the subsurface and preserved at 2C until measured at EM-1.Analysis by ICP-MS:Measurements for total metals were performed on an inductively coupled plasma optical emission spectrometer (ICP-OES; iCAP 6300, Thermo Scientific, Cambridge, U.K.). Calibration standards were prepared from the mulit element stock solution (Sigma-Aldrich Multielement standard for ICP, St. Louis, MO) using matrix matched to sample solutions (2% HNO3). Calibration curves included 5 points with correlation coefficients of >0.99. The QC protocol includes a continuing calibration blank and quality control samples that are analyzed just after calibration and again every 20 samples and at the completion of the run. Acceptable QC responses must be between 90-110% of the certified value. Analysis by Total Organic Carbon:Dissolved organic carbon concentrations were quantified on a total organic carbon (TOC) analyzer (TOC-L, Shimadzu, Kyoto, Japan) running the NPOC method. Standard curves were developed using an Organic Carbon Standard from RICCA Chemical Company (Arlington,TX). A series of 4 to 6 standards were automatically diluted by the instrument in a concentration range that spans that of the samples. A blank sample was run just after the calibration curve and at the end of the run. A QC sample was run every 25 samples. Acceptable QC responses must be between 90-110% of the certified value.All files are in csv format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Geochemistry of East River, Colorado floodplain sediments from Meander Z and Meander Y collected in 2017.

This dataset includes sediment geochemical characterization data from floodplain sediments collected as a part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected in order to investigate the role of biogeochemical cycling and other river corridor processes on riverine export of solutes. Sediment cores were collected from Meander Z (MZA, MZB) and Meander Y (MYP) just upstream of the confluence with Brush Creek in September 2017 to depths of approximately 40-95 cm in 15-20 cm intervals. Analyses include moisture content, particle size analysis, total inorganic and total organic carbon, and extractions by 1 M KCl (for adsorbed NH4), anoxic HCl (for Fe(II) content), ammonium oxalate (for amorphous Fe-oxide content), and dithionite (for crystalline Fe-oxide content). Sample locations are included in both a kmz file, which can be opened in Google Earth, and a csv file, and methods are included as a text document. All characterization data is summarized in a Microsoft Excel file, and is also included as individual .csv files for each extraction (ammonium oxalate, anoxic HCl, dithionite, and KCl) and for bulk sediment data (moisture content, particle size analysis, TIC, and TOC).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Green hydrogen from microalgal liquefaction byproducts with ammonia recovery and effluent recycle for developing circular processes

Hydrothermal liquefaction is a promising technology for microalgae-based biofuel production. However, hydrothermal liquefaction’s aqueous wastes have little established reuse, and contain significant fractions of toxic ammoniacal nitrogen. Careful reuse of this waste can assure microalgae-based biofuels are produced with less environmental impact and larger energy efficiency. Microbial electrolysis cells were investigated to valorize this waste product by converting the leftover organics into hydrogen and remove ammonia. Waste hydrothermal liquefaction aqueous phase from two microalgal strains, Tetraselmis sp. and Chlorella sp. were used as feedstocks for hydrogen production in microbial electrolysis cells. Chlorella and Tetraselmis aqueous phase-fed microbial electrolysis cells reach an average current density of 5.1 ± 0.19 A/m 2 and 3.8 ± 0.08 A/m 2 . Compound removal rates and mass removal percentages were also investigated for each feedstock. Additionally, acetic acid, propionic acid, ethanol, and glycerol were effectively removed from the aqueous byproduct. Further, microbial electrolysis cells separated up to 34.3% of ammoniacal nitrogen present in the aqueous phase. Charge transfer analysis indicated that proton transfer, not ammonium transfer, contributed to the majority of the hydrogen production in the cathode. Finally, the microbial electrolysis cell effluent was reused to grow the same microalgal strains, leading to the development of a circular biofuel production system. Microalgae regrowth studies using microbial electrolysis cell effluent showed nearly complete removal of total organic carbon, but significantly less removal of total nitrogen. Tetraselmis sp. growth occurred with the Tetraselmis-derived MEC effluent, however, the control medium without effluent produced the most growth. These findings support the possibility of a circular biofuel framework using MECs, but additional constraints, including the removal of inorganic contaminants, are necessary to realize the circular processes.

09 BIOMASS FUELS↗
DOE OSTI2024

Hydrological control of chemical weathering and rock-carbon fluxes: East River, Colorado

This data package is used in the manuscript entitled “Hydrological control of chemical weathering and rock-carbon fluxes”. The field study was conducted in a lower montane hillslope of the East River watershed, underlain by Mancos Shale, within the lower 140 m section of a transect that extends nearly 1 km to its local peak. The data in this package, in CSV file format, were collected from Fall 2016 to fall 2021, including depth-resolved dynamic water table depths, subsurface water fluxes, solid phase (soil to bedrock) chemical compositions, geochemical properties of porewater and pore-gas, including radio carbon concentrations. The detailed methods of field studies, laboratory chemical analyses, and calculations are described in the Methods section and in the dataset file: Wan_et_al_Methods.pdf. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Characterization of Contaminants and Mobility in WMA A-AX Boreholes D0006 and D0008

This study was initiated to determine if subsurface contaminants in the A-AX vadose zone at the Hanford site (boreholes D0006 and D0008) caused corrosion of nearby stainless steel well casings (299-E-24-19, 299-E25-46, and 299-E25-236) and, based on the type and distribution of contaminants, determine if contaminants are from one or more sources including a) the A-104 and/or A-105 tanks, b) the 242A evaporator, and c) the 200-E-286 ditch. A tiered approach was used for characterizing contaminants in vadose zone sediments starting with mobile and total contaminant concentrations (Tier 1), characterizing contaminant speciation (Tier 2), and measuring contaminant leaching (Tier 3). Total and mobile contaminant measurements at seven depths showed elevated sulfate and nitrate in all samples (130 to 280 ft depth), elevated chloride in five depths, and no elevated radionuclides except I-129 in D0006 at 206 to 208 ft depth. If these contaminants were initially acidic, stainless-steel corrosion would occur. However, because sediments likely have a high acid neutralization capacity, an acidic spill would have been neutralized within tens of feet, so casing corrosion would likely occur in shallow sediments. GEL labs data also shows low (but above natural) chromate from shallow to 170 ft depth, then higher chromate to 280 ft, suggesting a surface Cr spill or casing corrosion. GEL labs data also showed evidence of more than one plume, with deep nitrate, sulfate, and chloride migration, but only shallow tritium migration. Tritium should migrate nearly unretarded in the subsurface like nitrate and chloride. Elevated aqueous cations and anions in the D0006 206 to 208' depth pore water (SO 4 2- , NO 3 - , Na + , K + , Ca 2+ , Mg 2+ , Si) could be the result of acid disposal and calcite dissolution at shallow depth, with deeper migration of SO 4 2- , NO 3 - from acids and Ca 2+ and Mg 2+ from calcite. Elevated Si (160 mg/L) indicates dissolution of clays or other silicates, which can also occur in acids. Acid extractable metals did show elevated Cr (but not Fe, Ni, Mo, and Mn) above natural levels, which may indicate stainless-steel well corrosion or transport of metals from a shallow spill. The elevated I-129 in D0006 at 206 to 208' depth was low with 0.34 μg/g in pore water and 1.5 μg/g total extractable I-129 in the sediment, which indicates significant fraction of I-129 was bound in one or more precipitates. Although total I-129 was below detection limits in most extractions due to high molybdate interference, I-127 analysis provided some insight into potential precipitate phases. Total I-127 was mainly extracted by acetate or acetic acid (67%), which may be iodine in calcite. Inorganic carbon measurement identified 1.65% calcite, and total organic carbon (TOC) was below detection limits, so iodine was not associated with organic matter. Nearly all the I-127 was present as iodide. In 1-D leach experiments, I-127 as iodide leached from the sediment within 2 pore volumes. Due to high and dynamic molybdate leaching from the sediment and interference with I-129 analysis, there were few quantifiable I-129 measurements. The calculated molybdate release rates from the sediment suggested Mo was being released from the same precipitate phase, such as molybdate incorporated into calcite. Overall, because there was little radioactive contamination measured in D0006 and D0008 boreholes, potential releases from A-104 and A-105 did not reach this location south of the A tank farm. Elevated cations and anions found in D0006 and D0008 at depth as the result of acidic disposal could cause shallow stainless steel casing corrosion. The nearby 242A evaporator generally contained alkaline waste and tritium, but the nearby 200-E-286 ditch generally contained high Cl - liquid effluent, so these are unlikely to be acidic sources.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Evaluating sulfurization as a blue carbon sink in a southern California salt marsh

Blue carbon ecosystems such as seagrass meadows, mangrove forests, and salt marshes are important carbon sinks that can store carbon for millennia. Recently, organic matter sulfurization and pyritization have been proposed as mechanisms of net carbon storage in blue carbon ecosystems. At our study site, organic sulfur that is resistant to acid hydrolysis (protokerogen) is an order of magnitude less abundant than pyrite sulfur, suggesting a dominance of pyritization over sulfurization. The C/N ratios and carbon isotope compositions suggest that nearly half of total organic carbon and ≥ 80% of protokerogen is composed of marsh plant material. Sediment protokerogen appears to be sulfurized based on its low δ 34 S values (− 10‰), abundance of disulfides, and higher S/C ratio (~ 1.0%) relative to potential biogenic sulfur sources. However, the interpretation of protokerogen δ 34 S values is complicated by the wide range in sulfur isotope compositions of marsh plants. Evidence for sulfurization occurs within the shallowest sediments across different vegetation zones, yielding consistent products, while pyritization appears to be more sensitive to alterations in sediment redox conditions. Based on organic sulfur and pyrite content, sulfurization may be a more spatially consistent process than pyritization, with implications for carbon storage. The relative abundance of pyrite and protokerogen organic sulfur indicates that pyritization is favored at our study site, but this is likely to vary across the spectrum of blue carbon ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Partial wet oxidation of dairy manure as a pretreatment process to produce acetic acid ‘a Source Growth of Methanogens’

Wet oxidation can be an effective process for the pretreatment of complex biomass such as lignocellulose. However, studies on the use of wet oxidation for treating solid waste such as dairy manure are limited. The use of partial wet oxidation to convert dairy manure into low molecular weight carboxylic acids as final products were investigated. This work focuses on the performance of the sub-critical wet oxidation treatment of dairy cattle manure as a conversion/pretreatment process to release matter from the lignocellulosic fraction rather than a destructive process. The operating conditions were controlled at the short residence time and optimal temperature in the presence of oxygen under a pressure of 120 psi. The thermal hydrolysis under wet oxidation significantly affected conversion manure slurry into organic acids. The concentration of acetic acid reached 1778 mg L –1 , achieved at 190°C (60 minutes reaction time) as the reaction temperature increased within the range of 150°C–200°C, total organic carbon was reduced and monomers in the process liquids decreased. On the other hand, soluble COD in process liquids increased with an increment in reaction temperature. The results provide insights into technical options to pretreat dairy manure to improve biochemical conversion yield.

09 BIOMASS FUELS↗
DOE OSTI2023

Schneider Springs Fire Study 2023 for Ecosystem Respiration Rates: Surface Water Chemistry and Hydrologic Sensor Data across the Yakima River Basin, Washington, USA (v2)

This dataset supports a broader study examining the drivers of spatial variability in wildfire impacts across the Yakima River Basin. Data provided within this dataset were generated from sample collection across 17 total sites (8 sites affected by a recent wildfire, 9 sites unaffected by a recent wildfire) within multiple rivers throughout the Yakima River Basin in Washington, USA from May-July 2023. Fire affected sites are defined as those affected by the 2021 Schneider Springs Fire, based on the drainage area of the streams being within the 2021 Schneider Springs Fire burn perimeter or not (Figure 1, below). The contents include surface water geochemistry data (dissolved organic carbon; total dissolved nitrogen; total suspended solids); short-term sonde data (specific conductivity; turbidity; pH; chlorophyll A; temperature); stream depth data; stream velocity; manual chamber open channel respiration data; sensor time-series data (oxygen; water pressure; barometric pressure); field metadata (including qualitative information on in stream and river corridor characteristics); and environmental context photos taken in the field. The dataset also includes a summary file of the sensor data and plots of the sensor data. Sensors were only recovered at 15 out of the 17 sites, and not all sensors were recovered at all 15 sites (see Methods section for more details), therefore all data does not exist at all sites. Data from a 2022 study at the same sites, as well as additional sites, can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1969566. The data package was originally published in November 2023. It was updated in June 2025 (v2; modified files). See the change history section in the readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one folder with field photos and one main data folder with two subfolders. The main data folder consists of (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) field protocol; (5) readme; (6) international generic sample number (IGSN) mapping file; and (7) stream depth and averages. The sensor data subfolder consists of (1) sensor installation methods summary; (2) stream velocity; and (3) six subfolders. The BarotrollAtm (barometric pressure; temperature), DepthHOBO (water pressure; temperature), MantaRiver (specific conductivity; turbidity; pH; chlorophyll A; temperature), EXO (specific conductivity; pH; temperature), miniDOT (dissolved oxygen; temperature), and miniDOTManualChamber (dissolved oxygen; temperature) contain time-series data, plots, and summary files. The sample data subfolder consists of (1) total suspended solids (TSS) data; (2) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (3) total dissolved nitrogen (TN) data and averages; and (4) methods codes. All files are .csv, .pdf, .jpg, .jpeg, or .mov.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Active microbial biomass decreases, but microbial growth potential remains similar across soil depth profiles under deeply-vs. shallow-rooted plants

Climate-smart land management practices that replace shallow-rooted annual crop systems with deeply-rooted perennial plants can contribute to soil carbon sequestration. However, deep soil carbon accrual may be influenced by active microbial biomass and their capacity to assimilate fresh carbon at depth. Incorporating active microbial biomass, dormancy, and growth in microbially-explicit models can improve our ability to predict soil's capacity to store carbon. But, so far, the microbial parameters that are needed for such modeling are poorly constrained, especially in deep soil layers. Here, we used a lab incubation experiment and growth kinetics model to estimate how microbial parameters vary along 240 cm of soil depth in profiles under shallow- (soy) and deeply-rooted (switchgrass) plants 11 years after plant cover conversion. We also assessed resource origin and availability (total organic carbon, 14 C, extractable organic carbon, specific UV absorbance of K 2 SO 4 extractable organic C, total nitrogen, total dissolved nitrogen) along the soil profiles to examine associations between soil chemical and biological parameters. Even though root biomass was greater and rooting depth was deeper under switchgrass than soy, resource availability and microbial growth parameters were generally similar between vegetation types. Instead, depth significantly influenced soil chemical and biological parameters. For example, resource availability and total and relative active microbial biomass decreased with soil depth. Decreases in the relative active microbial biomass coincided with increased lag time (response time to external carbon inputs) along the soil profiles. Even at a depth of 210–240 cm, microbial communities were activated to grow by added resources within a day. Maximum specific growth rate decreased to a depth of 90 cm and then remained consistent in deeper layers. Our findings show that >10 years of vegetation and rooting depth changes may not be long enough to alter microbial growth parameters, and suggest that at least a portion of the microbial community in deep soils can grow rapidly in response to added resources. Our study determined microbial growth parameters that can be used in microbially-explicit models to simulate carbon dynamics in deep soil layers.

14C↗
DOE OSTI2024

Performance Evaluation of a High Salinity Produced Water Treatment Train: Chemical Analysis and Aryl Hydrocarbon Activation

Water scarcity and increased energy demands have put a strong focus on improving industries at the heart of the water–energy nexus. Treatment of oil and gas produced water (PW) can help reduce freshwater consumption during hydraulic fracturing, especially in arid regions, while also removing harmful contaminants from entering the environment. However, it is also difficult to treat because PW contains high concentrations of many environmentally toxic contaminants, which require complex and expensive treatment processes to achieve their removal. To demonstrate the possibility of PW treatment and reuse in the O&G industry, a comprehensive environmental toxicity and water quality analysis throughout a five-process treatment train was performed on high salinity (>120 g/L) Permian basin raw PW. Here, the concentrations of naturally occurring radioactive materials were reduced by over 99%, total organic carbon was reduced by 93%, and inorganic constituents, including total dissolved solids, were reduced by over 99%. Compounds that induced the aryl hydrocarbon receptor and caused cytotoxicity in MCF-7 cells were also removed. Overall, the results of this study show that a short treatment train (five distinct unit processes) can be effective in treating PW to a level suitable for use outside of the oil industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Water Column Respiration in the Yakima River Basin is Explained by Temperature, Nutrients and Suspended Solids

Understanding aquatic ecosystem metabolism involves the study of two key processes: carbon fixation via primary production and organic C mineralization as total ecosystem respiration (ERtot). In streams and rivers, ERtot includes respiration in the water column (ERwc) and in the sediments (ERsed). While literature surveys suggest that ERsed is often a dominant contributor to ERtot, recent studies indicate that the relative influence of sediment-associated processes versus water column processes can fluctuate along the river continuum. Still, a comprehensive understanding of the factors contributing to these shifts within basins and across stream orders is needed. Here we contribute to this need by measuring ERwc and collecting water samples across 47 sites in the Yakima River basin, Washington, USA. We found that ERwc rates varied throughout the basin during baseflow conditions, ranging from –7.38 to 0.36 g O2 m?3 d?1, and encompassed the range of ERwc literature values. Additionally, by comparing to ERtot estimates for rivers across the contiguous United States, we suggest that the contribution of ERwc rates to reach-scale ERtot rates across the Yakima River was likely highly variable, but we did not test this directly. We observed that temperature, nutrient concentrations (dissolved organic carbon, total dissolved nitrogen), and total suspended solids explained 41% of ERwc variability across the basin. Our findings highlight the potential relevance of water column processes in aquatic ecosystem metabolism, with the Yakima River basin serving as an environmentally diverse river network representative of the larger Columbia River basin that spans much of the Pacific Northwest region of the United States. Our results are generally congruent with previous work, suggesting that the observed variability and suite of associated environmental factors influencing ERwc are potentially transferable across basins.

Laan, Maggi M.↗
DOE OSTI2026

WHONDRS Surface Water and Sediment Geochemistry and Organic Matter Characterization Data from Streams across HJ Andrews Experimental Forest, Oregon (v2)

This dataset supports a broader study developing conceptual models for river corridor critical zone processes across spatial scales and was generated in collaboration with the HJ Andrews River Corridor Critical Zone Workshop in 2025. The dataset provides surface water geochemistry (dissolved organic carbon, total dissolved nitrogen) from 48 sites across the HJ Andrews Experimental Forest, Oregon (https://andrewsforest.oregonstate.edu). Some of the sites have been impacted by the Holiday Farm Fire and the Lookout Fire in 2020 and 2023, respectively. Related data were collected as part of the workshop and will be published separately in collaboration with other workshop attendees and available at http://www.hydroshare.org/resource/b274c4a234bf4b12b7cb8a54a696c629. Related genomic data can be found on the National Center for Biotechnology Information (NCBI) under BioProject PRJNA1503030 (see critical details section below for more information). Additional related data collected in 2016 from a similar effort can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3377027 and http://www.hydroshare.org/resource/ea6c0832885a46c3939e7bb22e48e754 and are described within https://doi.org/10.5194/essd-11-1-2019 (Ward et al., 2019). This data package was originally published in March 2026. It was updated in August 2026 (v2; new and modified files). See the change history section in the readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) a folder of field photos, (2) a folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data, (3) a data checks report, (4) a folder of sample data, (5) file-level metadata, (6) data dictionary, (7) field metadata, (8) readme, (9) international generic sample number (IGSN) mapping file; and (10) field protocol. The sample data subfolder contains surface water and sediment (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages, (2) total dissolved nitrogen data and averages, (3) methods codes, (4) FTICR-MS methods; and (5) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains the CoreMS processed data and seven subfolders, thee containing .xml files for each sample type (sediment, surface water and blank samples), three containing the sediment CoreMS output files for each sample type (sediment, surface water and blank samples), and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .xml, .Rmd, .py, .cal, .json, .jpg, or .jpeg.

Biogeochemistry↗
DOE OSTI2022

Produced Water and Waste Heat-aided Blowdown Water Treatment: Using Chemical and Energy Synergisms for Value Creation

The project objective was to develop a cooling blowdown water (BDW) treatment process utilizing produced water (PW) and low-grade heat to maximize water reuse and saleable by-product generation while reducing chemical and energy footprints of the treatment. The proposed treatment process consists of mixing, softening, organics and suspended solids removal, reverse osmosis (RO), thermal desalination, and brine electrolysis. BDW samples collected from a local coal-fired power plant and PW samples from two shale gas production wells were used in this study. Each treatment unit was first designed and tested to quantify its treatment efficiency, and its chemical and energy requirements. In addition, a process model was developed and model simulations were conducted based on the experimental results and literature data to optimize the treatment process. A techno-economic analysis was conducted to quantify chemical and energy savings as well as production of 10-lb brine as a saleable product. With the field-collected BDW and PW samples, mixing experiments determined a volumetric mixing ratio 10:1 (BDW:PW) resulted in the best performance of multivalent ions removal and largest chemical savings for softening. Softening of the BDW/PW mixtures using alkaline chemicals (Na 2 CO 3 and NaOH) achieved 95%-100% removal of scaling-forming cations (Ca, Mg, Fe, Ba, Sr) and 60% of silicon, and 10% of total organic carbon (TOC). The mixing and softening treatments yielded an effluent with total dissolved solids (TDS) concentration of 23 g/L. Activated carbon (AC) filtration removed TOC to a low level (< 3 mg/L) and further removed remaining scale-forming divalent metals and silica from the softened water. The AC filtration resulted in a slight reduction of TDS from 23 g/L to 20 g/L, leaving behind only mostly monovalent ions (i.e., sodium and chloride) in the filtered water. These pretreatments yielded a feed water that met the criteria of the downstream reverse osmosis (RO) to prevent membrane fouling. A cross-flow RO system was used to further concentrate the TDS of the AC effluent. Various factors including TDS, pH, and applied pressure were examined and optimal conditions were determined for the co-treatment process. An integrated process consisting of mixing, softening, AC filtration and RO was used to treat a continuous flow (0.25 – 1.2 L/min, or 0.07 – 0.32 gpm) and successfully generated RO permeate as product water (TDS < 0.5 g/L) for reuse in cooling operation, and a concentrate (TDS ~ 45 g/L) to be further treated in a thermal desalination unit. These flow rates meet the FOA’s criterion of 0.01 – 1 gpm. Overall, the co-treatment of BDW/PW allowed shorter ramp-up time compared to treatment of BDW alone. It resulted in 40% and 55% savings of Na 2 CO 3(s) and NaOH, respectively, compared to treating the BDW and PW individually for the same level of softening. The co-treatment also resulted in a 29% energy saving compared to treatment of BDW only for the level of TDS concentration. A thermal desalination system was designed using CFD simulations and manufactured in the WVU Innovation Hub for further treatment of the RO concentrate to generate 10-lb brine. The system has a design flow rate of 2 gpm and has been successfully tested. A bench-scale brine electrolysis system was developed for on-site generation of chlorine/hypochlorite (Cl 2 /OCl - ) and caustic soda (NaOH) as useful chemicals for the co-treatment process. Using salt solutions (0.5 M and 1 M), the system achieved faradaic efficiencies of 93%-97% and 70%-77% for caustic soda and chlorine/hypochlorite generation, respectively. An economic analysis showed that the electricity costs for on-site generation of these chemicals were significantly lower than the chemical prices offered by suppliers. An industrial-scale process model consisting of mixing, softening, AC filtration, RO, thermal desalination, and brine electrolysis was developed using the Aspen Plus V9 in conjunction with Aspen Custom Modeler V9. The model serves as a solvable Aspen Plus model and as basis to form the costing infrastructure. In addition, techno-economic analysis considering capital, operating, and transportation costs was conducted. An optimization solution showed that produced water for mixing is still advantageous in low quantities. The optimum solution approaches a leveled cost of water (LCW) of 2 $/m 3 which becomes cost competitive with nominal water treatment prices.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Surface water geochemistry along St. Louis River Estuary (Duluth/Superior, MN/WI)

This dataset is aimed at understanding changes in surface water chemistry associated with urbanization in the Great Lakes region. Surface water chemistry including cations, anions, organic and inorganic carbon, and nitrogen were collected from six locations along St. Louis River – a freshwater estuary entering Lake Superior (Duluth/Superior, MN/WI). The Duluth/Superior, MN/WI metropolitan area is the largest port on the United States side of Lake Superior. Samples were collected near different land uses every two weeks from late July 2023 to the onset of ice cover in November 2023. Water samples were analyzed using In-Situ AquaTroll 500 Multiparameter Sonde with Ammonium Ion Selective Electrode and Chlorophyll-a sensor (unfiltered), METTLER TOLEDO FiveEasy Plus FP20 and METTLER TOLEDO LE407 probe (unfiltered); HACH DR300 Pocket Colorimeter Iron FerroVer (filtered 0.22 μm in field); Shimadzu TOC-L Total Organic Carbon Analyzer with TNM-L Total Nitrogen Unit (filtered 0.22 μm in field); Agilent 8900 triple quadrupole ICP-MS (ICP-QQQ) (filtered 0.22 μm in field); and Dionex ICS-6000 HPIC System (filtered 0.22 μm in field).The data package is comprised of 5 files. dd.csv contains the description of columns in Geochemistry_LSNERR_water.csv and Sampling_sites.csv. flmd.csv contains descriptions of each file in the dataset. README.txt contains description of the dataset structure and file content. Geochemistry_LSNERR_water.csv contains geochemistry data for six sampling locations along the St. Louis River. Sampling_sites.csv contains latitude and longitude coordinates for each of the six sampling site locations along the St. Louis River.This data has not been previously published.

54 ENVIRONMENTAL SCIENCES↗