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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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15 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

NEWTS Integrated Dataset (version 1.0)

The National Energy Water Treatment and Speciation (NEWTS) Integrated Dataset v1.0 provides water researchers, community leaders, and regulators with a unified and standardized energy-related wastewater stream database. This resource is derived from 27 state and federal entities, and scientific publications, and contains more than 400,000 sample records, many of which also provide geospatial information. The dataset includes data for several different energy-related wastewater types including produced water, other oil and gas wastewaters, mine drainage, coal ash leachate, and power plant wastewater. The NEWTS Integrated Dataset was built to support environmentally prudent decision-making, explore treatment opportunities, and identify potential critical mineral sources. A subset of this novel resource is also featured on NETL NEWTS State-Level Database Dashboard. Additional data can be found in the NEWTS EDX Group and the NEWTS Federal Database Dashboard.

abandoned mine drainage↗
DOE OSTI2026

NEWTS Integrated Dataset (version 2.0)

The National Energy Water Treatment and Speciation (NEWTS) Integrated Dataset v2.0 provides water researchers, community leaders, regulators, and industry stakeholders with a unified and standardized energy-process wastewater chemistry database. This resource is derived from 39 state and federal entities, and scientific publications, and contains more than 700,000 sample records, many of which also provide geospatial information. The dataset includes chemistry data for several different energy-process wastewater types including produced water, other oil and gas wastewaters, mine drainage, coal ash leachate, power plant wastewater, and geothermal fluids. The NEWTS Integrated Dataset was built to support prudent decision-making, characterization of potential critical mineral sources, and modeling of treatment and valorization options. A subset of this novel resource is also featured on the NEWTS State-Level Database Dashboard. Additional data can be found in the NEWTS EDX Group and the NEWTS Federal Database Dashboard.

AMD↗
DOE OSTI2025

National Energy Water Treatment & Speciation (NEWTS): A Water & Critical Mineral Database and Dashboard

The scarcity of water resources, the need for beneficial water reuse, and the challenges of wastewater treatment are becoming increasingly pressing in economic, social, and environmental domains. Addressing these concerns requires effective treatment strategies to manage wastewater streams and tackle environmental and economic issues. Furthermore, the recovery of critical minerals from the waste streams associated with energy production holds the promise of offsetting treatment costs and securing local sources of valuable minerals. However, relevant data on these waste streams are dispersed and challenging to locate. The process of ingesting such data into modeling software often involves multiple steps, requiring data restructuring to meet software-input requirements. The non-standardized reporting of water data makes data aggregation and reformatting a time-consuming process. Additionally, essential attributes necessary for modeling water treatment and mineral scale formation are frequently missing. Moreover, data gaps vary depending on the region of interest. Consequently, there is a pressing need for high-quality energy-water composition data that can be easily imported into water chemistry modeling software. To address this need, the National Energy Technology Laboratory has created the National Energy Water Treatment and Speciation (NEWTS) Database and Dashboard—a free online tool catering to community leaders and water researchers. NEWTS facilitates a comprehensive understanding of the composition of energy-related wastewater streams in the United States. The datasets provide detailed concentrations and speciation of major and minor aqueous compounds in energy-related wastewater streams, including power plant leachate, acid mine drainage, brackish water, and oil and gas produced water across the United States. Many of the aqueous species are critical minerals (Li, REEs) in high demand to modernize the world’s energy infrastructure. Many of the datasets also contain volumetric flow-rates needed to model the treatment and reuse scenarios in advanced aqueous chemistry software programs. The NEWTS Database and Dashboard offer public access to hitherto challenging-to-access datasets, presented in a standardized format that is tailored for easy input into aqueous chemistry modeling software. By performing the work needed to transform dispersed, disparate data sources into unified, model-ready datasets, NEWTS serves as an essential resource in advancing water treatment research and sustainable water resource management.

produced water management↗
DOE OSTI2024

NEWTS State-Level Database Dashboard

The National Energy Water Treatment and Speciation (NEWTS) State-Level Database Dashboard enables quick visualization and exploration of energy-related wastewater data collected from state environmental agencies and research projects across the United States. The dashboard features a subset of the NEWTS Integrated Dataset (version 1.0), which was built to provide stakeholders with a unified and standardized database to support wastewater treatment and critical minerals exploration. The full NEWTS Integrated Dataset and citations for the original data resources can be found here: https://edx.netl.doe.gov/dataset/newts-integrated-dataset-version-1-0

abandoned mine drainage↗
DOE OSTI2025

NEWTS Economic Data Dashboard: Critical Materials for Energy

The NEWTS Economic Data Dashboard: Critical Materials for Energy is an economic screening tool for assessing the concentration and potential value of the 18 critical materials for energy in fossil energy-related wastewater across the United States. Datasets used to develop the dashboard and complete economic calculations are available as supplementary downloads. These resources were developed primarily using geochemical composition and volume data from the NEWTS Integrated dataset (version 1.0). Energy-related wastewater types presented in the dashboard include produced water (PW), brackish groundwater (BW), acid mine drainage (AMD), coal combustion residual leachate (CCRL), power plant flue gas desulfurization wastewater (FGD), and geothermal fluids. The concentrations of the following critical minerals were included in the analysis, when available: Al, Co, Cu, Dy, F, Ga, Ge, C, Ir, Li, Mg, Mn, Nd, Ni, Pt, Pr, Si, Tb. This economic screening tool was built to support identification of promising critical mineral feedstocks and economic research targets.

Critical Minerals; Critical Minerals and Materials↗
DOE OSTI2024

National Energy Water Treatment and Speciation (NEWTS) Database & Dashboard

The Department of Energy's Office of Fossil Energy & Carbon Management (DOE/FECM) through the National Energy Technology Laboratory (NETL) has launched a free online tool, the National Energy Water Treatment and Speciation (NEWTS) Database and Dashboard, which can be utilized by community leaders and water researchers to better understand the composition of energy-related wastewater streams. The NEWTS Database and Dashboard provide public access to difficult-to-access datasets, including the original data sources and the processed data forms for input into aqueous chemistry modeling software. The data provided by the tool will help mitigate environmental risks and identify possible sources of valuable critical minerals (CM). The goal of this ASME Power presentation is to highlight the data and capabilities of this free online-tool for obtaining high quality water datasets in formats that are easy for modeling the treatment and recovery of valuable resources from effluent waste stream associated with energy operations.

Siefert, Nicholas↗
DOE OSTI2024

NEWTS Argonne Geothermal Geochemical Database with CoDART

A database of geochemical compositions of aqueous species in potential geothermal resources. The NETL NEWTS team has formatted the original Argonne V2 database for Charge Balance, Input into OLI Studio, and Input into GWB. (Geochemist WorkBench) In addition, some missing species in the original database were predicted using machine learning techniques within CoDart software, a public ML software developed by the Nation Energy Technology Laboratory. We have made the Input into CoDart and one example output from CoDart available in this dataset.

Aqueous Chemistry↗
DOE OSTI2024

Constituent Data Replacement Tool

The purpose of this tool is to estimate key parameters that may be missing in public wastewater composition datasets. The tool can be applied to develop complete treatment and critical mineral extraction profiles for leachate, produced water and other aqueous waste streams. The tool applies machine learning algorithms to replace missing data in a user’s water data set that are adjusted based on user preferences for options including algorithm type, number of features, and classification variables. The tool can use the user’s data alone or combine user data with the NEWTS USGS Produced Water Database for more robust training. This research was funded by the U.S. Department of Energy’s Office Fossil Energy and Carbon Management (FECM) through National Energy Technology Laboratory’s ongoing research under the Water Management for Power System Field Work Proposal, DE-FECM 1022428 and Critical Minerals Field Work Proposal, DE-FECM 1022420.

Aqueous Chemistry↗
DOE OSTI2024

Pennsylvania Department of Environmental Protection (PA DEP) 26r Detailed Produced Water Compositions (version 1.0)

A database of geochemical compositions of aqueous species in produced water reported to the PA DEP. Samples were collected between mid-2012 to early-2020. Data from publicly-available PA DEP 26r reports were scraped from pdf files and cumulated into tabular spreadsheet format for >1000 produced water streams from Marcellus wells in Pennsylvania. In addition to providing the original values, the NETL NEWTS team has reformatted the dataset to allow sample streams to be easily copied into OLI Studio and Geochemist WorkBench (GWB) software for modeling the geochemistry and the recovery of critical minerals, such as lithium, from these produced water streams. In addition, a version of the dataset has been included with predictions for some missing values in the original dataset using machine learning techniques within CoDaRT software, a public ML software developed by the Nation Energy Technology Laboratory. We have made the Input into CoDaRT and one example output from CoDaRT available in this dataset.

Aqueous Chemistry↗
DOE OSTI2025

Pennsylvania Department of Environmental Protection (PA DEP) 26r Detailed Produced Water Compositions (version 2.0)

A database of geochemical compositions of aqueous species in produced water reported to the PA Department of Environmental Protection (PA DEP). Samples were collected between late-2010 to late-2024. Data from publicly available PA DEP 26r reports were scraped from pdf files and cumulated into tabular spreadsheet format for >3,000 produced water streams from Marcellus Shale wells in Pennsylvania. In addition to providing the original values, the NETL NEWTS team has reformatted the dataset to allow sample streams to be easily copied into OLI Studio and Geochemist WorkBench (GWB) software for modeling the geochemistry and the recovery of critical minerals, such as lithium, from these produced water streams. ***This dataset is an updated version of the PA DEP 26r Detailed Produced Water Compositions (version 1.0) dataset, providing expanded spatial and temporal coverage.***

Aqueous Chemistry↗
DOE OSTI2024

Estimating Lithium Fluxes from Produced Water: Marcellus Shale and Beyond

This talk summarizes the potential for critical minerals extraction from produced water and the current data constraints on making these evaluations. First, we present results from production simulations carried out using data from the Marcellus shale showing the lithium resource potential from this formation. Second, we broaden our estimations to show the critical mineral resource estimates from U.S. domestic shale operations. Lastly, we conclude with an overview of the NEWTS database and dashboard where we host the data used in our assessments.

Mackey, Justin↗
DOE OSTI2026

Innovations Driven by Advanced Characterization to Strategize Critical Mineral Production and Beneficial Reuse from Fossil Energy Waste

Critical minerals (CM), such as rare earth elements (REE), cobalt, nickel, and lithium, have important uses in modern electronics and advanced manufacturing, yet are vulnerable to potential supply chain disruptions. Relatively abundant and readily available fossil energy (FE) wastes, such as coal combustion ash, acid mine drainage (AMD) and treatment solids (AMD solids), and Oil and Gas (O&G) drilling wastes (drill cuttings and produced waters) are under consideration as CM feedstocks. The National Energy Technology Laboratory (NETL) has studied CM resources for various FE wastes as part of the U.S. Department of Energy’s mission of bolstering the domestic CM supply, and makes the data available to the public on EDX at sites such as the NEWTS group. Advanced characterization utilizing synchrotron x-ray techniques coupled with laboratory extractions has been performed to identify CM hosting phases in these FE wastes to inform CM recoverability mechanisms. Novel methods to selectively recover CMs while co-producing other valuable byproducts have been developed. Successful examples discussed here include: (1) The identification of REE/Co/Ni/Sc binding and hosting phases in select FE waste (coal combustion ash and AMD solids), resulting in the development of a patented CM step-extraction process, (2) coupled production of functional sorbents from these extraction wastes and for CM recovery. A pilot-scale testing to evaluate the patent’s technical feasibility for extracting REE from coal ash on a barrel scale has been successfully performed. Additionally, (3) evaluation and measurements of brine geochemistry from U.S. O&G produced waters has informed a high Li recovery potential from Marcellus Shale produced water. NETL researchers have been developing tailored pre-treatment processes, an innovative and highly durable lithium sorbent, and geochemical model guided precipitation to accelerate Li production from the Marcellus Shale produced waters. These innovations driven by characterization are integral for maximizing and advancing the potential for CM recovery while offsetting the cost and environmental footprint for FE waste management.

critical mineral processing↗
DOE OSTI2025

Nickel Enhances InPd-Catalyzed Nitrate Reduction Activity and N 2 Selectivity

Palladium–indium (PdIn) is a well-established bimetallic composition for reductively degrading nitrate anions, one of the most ubiquitous contaminants in the groundwater. However, the scarcity and the variable price of these rare-earth and platinum group critical metals may hinder their use for water treatment. Nickel (Ni), a nonprecious metal in the same element group as Pd, could partially replace and lower Pd usage if the resulting trimetallic composition is sufficiently catalytically active. Herein, we report the synthesis and nitrate reduction catalysis of activated carbon-supported “In-on-Pd-on-Ni” catalysts (InPdNi/AC). While bimetallic InPd/AC (0.05 wt % In, 1.3 wt % Pd) was expectedly active, trimetallic InPdNi/AC containing the same In amount, much less Pd (0.1 wt %), and 1 wt % Ni was >17 more active (k cat ≈ 20 vs 349 L min –1 g surface metal –1 ). X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations showed that Pd gained electron density from Ni, correlating to the increased nitrate reduction activity. Ammonium byproduct selectivity for InPdNi/AC (18% at 50% nitrate conversion) was lower compared to that of InPd/AC (48%), suggestive of the higher surface coverage of NO or its greater reactivity with NO 2 – , which led to more N 2 . Accounting for the catalyst precursor, manufacturing costs, and spent metal recovery, we calculated that Ni incorporation lowered the net catalyst cost significantly (from $\$$1028/kg to $\$$170/kg). The trimetallic composition lowered, by ∼26 times, the catalyst cost of a stirred tank reactor sized to the same treatment capacity as that for the bimetallic case. In conclusion, the results demonstrate that the partial replacement of the precious metal with an earth-abundant one leads to a higher efficiency and lower cost denitrification catalyst, via a material strategy that should be beneficial for other clean-water catalytic systems.

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

Discerning structure sensitivity of Ni-core Pd-shell nanoparticles for enhanced nitrite reduction

Denitrification using Pd-based catalysts converts N-oxyanions into harmless products. However, the metal cost and scarcity are barriers to application. In this work, we synthesize water-suspended, structure-controlled Ni-core/Pd-shell nanoparticles (Ni@Pd NPs) that show Pd-catalyzed nitrite (NO 2 − ) reduction catalysis promoted by Ni. The NPs immobilized on Al 2 O 3 (0.47 wt % Pd and 0.74 wt % Ni) have higher NH 4 + selectivity and higher catalytic activity than wet-impregnated Pd/Al 2 O 3 (1.0 wt % Pd), i.e., 315.4 vs. 132.1 Lg surface Pd −1 min −1 . X-ray photoelectron spectroscopy (XPS) and CO-diffuse reflectance infrared Fourier transform spectroscopy (CO-DRIFTS) analyses show that Ni increases Pd electron density, which is proposed to lower the bond dissociation energy barrier for nitric oxide surface intermediate. Low-coordinated Pd atoms correlate to high activity and low NH 4 + selectivity. Using CatCost software, we estimate Ni@Pd/Al 2 O 3 to have a ∼40% lower manufacturing cost compared to wet-impregnated Pd/Al 2 O 3 . This rationally designed catalyst illustrates how nickel promotes Pd catalysis and how Pd usage can be lowered for denitrification and other hydrogenation reactions.

CO-DRIFTS↗
DOE OSTI2026

Metal Identity and Coordination Environment Modulate Single-Atom Catalyst Stability During Electrocatalysis

A major hurdle to the implementation of single-atom catalysts (SACs) in real-world systems is a poor understanding of their stability under operating conditions, which is particularly relevant due to the high surface free energy of SACs. Here, we evaluated the aggregation behavior of a suite of SACs varied by metal identity (Fe, Co, Ni, and Cu) during electrocatalytic nitrate reduction using in situ X-ray absorption spectroscopy. The metal center had significant influence on reconstruction, where under identical applied reductive potentials, SACs underwent varying levels of reconstruction, ranging from no discernible change to complete reduction into metallic nanoparticles. Such in situ experiments revealed Cu SACs to be the most susceptible to aggregation, prompting a deeper investigation into how coordination environment (O-, B-, and N-graphene) affected Cu SAC aggregation. We further conducted density functional theory calculations to elucidate the relationship between Cu SAC structure and stability. This work deconvolutes the relationship between SAC architecture and stability, which is essential to evaluate and explain for the realization of SACs for electrocatalysis.

36 MATERIALS SCIENCE↗