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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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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

In-Situ Species Concentration Measurements In Ammonia-Mix Flames Using Ftir Spectroscopy

Hydrogen and ammonia represent two carbon-free fuel sources that could be used in place of current fossil energy sources in combustion systems. To develop optimized ammonia combustion systems, validated modeling tools are needed. In the open literature, it has been shown that the complex chemistry associated with fuel-bound nitrogen contained in ammonia differs greatly from natural gas or hydrogen combustion. As a result, several new chemical kinetic mechanisms have been developed. Many of these mechanisms have been validated experimentally, however this has primarily focused on bulk parameters such as laminar flame speed and ignition delay time. Critically, high quality measurements of species concentrations are needed under controlled conditions which are easily represented by simple models. In this paper, direct, in-situ measurements of species concentrations and gas temperature are performed in a laminar flat-flame burner. This arrangement enables comparison with 1D model predictions, better isolating chemical kinetics from the fluid dynamics. Quantitative species concentrations are determined by absorption spectroscopy using an FTIR spectrometer. Fuel compositions representative of cracked ammonia (NH 3 /H 2 ) and ammonia-natural gas (NH 3 /CH 4 ) are considered for rich and lean equivalence ratios. A major focus of the paper is on the selection of spectral features for nitric oxide and ammonia and correcting for large amounts of baseline H 2 O absorption.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In-Situ Species Concentration Measurements in Ammonia-Mix Flames Using FTIR Spectroscopy

Hydrogen and ammonia represent two carbon-free fuel sources that could be used in place of current fossil energy sources in combustion systems. To develop optimized ammonia combustion systems, validated modeling tools are needed. In the open literature, it has been shown that the complex chemistry associated with fuel-bound nitrogen contained in ammonia differs greatly from natural gas or hydrogen combustion. As a result, several new chemical kinetic mechanisms have been developed. Many of these mechanisms have been validated experimentally, however this has primarily focused on bulk parameters such as laminar flame speed and ignition delay time. Critically, high quality measurements of species concentrations are needed under controlled conditions which are easily represented by simple models. In this paper, direct, in-situ measurements of species concentrations and gas temperature are performed in a laminar flat-flame burner. This arrangement enables comparison with 1D model predictions, better isolating chemical kinetics from the fluid dynamics. Quantitative species concentrations are determined by absorption spectroscopy using an FTIR spectrometer. Fuel compositions representative of cracked ammonia (NH3/H2) and ammonia-natural gas (NH3/CH4) are considered for rich and lean equivalence ratios. A major focus of the paper is on the selection of spectral features for nitric oxide and ammonia and correcting for large amounts of baseline H2O absorption.

Bedick, Clinton↗
DOE OSTI2025

Mapping Spatiotemporal Solvent Velocity from Measured Concentration Gradients in a Polarized Electrolyte

The electric-field induced motion of neutral species impedes the efficacy of electrochemical devices. By combining operando X-ray transmission measurements with continuum mechanics, we have developed a methodology for determining the velocity of neutral solvent molecules under an applied field. The X-ray transmission experiments were used to determine ion concentration profiles as a function of space and time in a polymer electrolyte. The unsteady state solvent mass balance equation was solved numerically with experimental concentration profiles to map spatiotemporal solvent velocities. We compare our experimentally derived results with predictions made with concentrated solution theory. We use the cation transference number as the only adjustable parameter to match experimental measurements of both concentration and solvent velocity. Our approach may be used to determine solvent velocity with any operando technique used to measure time-dependent ion concentration profiles.

Abdo, Emily E↗
DOE OSTI2025

Quantifying uncertainty in uranium concentration measurements via K-edge densitometry

This study quantifies the uncertainty in uranium concentration predictions of fluoride and chloride-based salts within a steel pipe using K-edge densitometry. Modeling and simulation was conducted with the Monte Carlo N-Particle Transport (MCNP) code. The quality of of this technique’s prediction in a pipe requires proper characterization of the pipe’s thickness, which is dependent on the source size and axial offset from the pipe centerline. The thickness was determined as either the center-line thickness seen by the X-ray source or an average value determined through random sampling. Generally, the predicted concentrations were slightly better at lower offset with the random sampling thickness and using the center-line thickness for the highest offsets. For a line-beam source and varying axial offsets, the relative error of concentration was within 1% of the true value but uncertainty increased by 2 orders of magnitude. Similarly, for no axial offset, the relative error was significantly less than 1% while no trend for uncertainty was found. However, at the largest possible offset for a given source size, the concentrations become erroneous and greater than the allowable 1% relative error. Furthermore, high offsets tended to increase the variance of the transmission spectra by 3 orders of magnitude.

Characterization and Analytical Technique↗
DOE OSTI2024

High-Fidelity Velocity and Concentration Measurements of Turbulent Buoyant Jets

Accurate models of turbulent buoyant flows are essential for the design of the cooling circuit of nuclear reactors and passive safety systems. However, available models fail to fully capture the physics of turbulent mixing when buoyancy becomes predominant with respect to momentum. Therefore, high-fidelity experiments of well-controlled fundamental flows are needed to develop and validate more accurate models. We analyze experiments of positive and negative turbulent buoyant jets, both in uniform and stratified environments, with the aim of understanding the thermal hydraulics of turbulent mixing with variable density and providing high-fidelity data for the development and validation of turbulence models. Non-intrusive, simultaneous particle image velocimetry and laser-induced fluorescence measurements were carried out to acquire instantaneous velocity and concentration fields on a vertical section parallel to the axis of a jet in the self-similar region. The refractive index matching method was applied to measure high-resolution buoyant jets with up to 8.6% density difference. These data are free of the typical errors that characterize optical measurements of buoyancy-driven flows (e.g. natural and mixed convection) where the refractive index of the fluid is inhomogeneous throughout the measurement domain. Turbulent statistics and entrainment of buoyant jets in uniform and stratified environments are presented. These data are compared with non-buoyant jets in a uniform environment, as a reference to investigate the effects of buoyancy and stratification on turbulent mixing. The results will be used for the assessment of current turbulence models and as a basis for the development of a new model that captures turbulent mixing.

laser induced fluorescence↗
DOE OSTI2025

Electrochemical Characterization of Dissolved Oxides in Molten FLiNaK

Molten fluoride salts have long been the subject of investigation given their application in a variety of industrial processes. Oxides are a common exogeneous impurity within these systems, and can lead to many operational and regulatory concerns. In recent studies, the electro-oxidation of dissolved metallic oxides has been attributed to a single step oxygen evolution reaction despite voltametric evidence suggesting otherwise. Here, we first use square wave voltammetry to confirm that the oxidation of dissolved oxides in fluorides proceeds via a two-electron transfer reaction and then demonstrate that the presence of a peroxide-mediated redox reaction better explains the electrochemical data. Numerical simulations were then used to support the determination of improved diffusion coefficients to enable electroanalytical measurements of the oxide concentration across at a variety of temperatures. A linear Arrhenius relationship was observed when the experimental data was corrected for ohmic resistance effects. Concentration measurements using the corrected square wave voltammetry data demonstrated high accuracy across a large range of concentrations, while the uncorrected data showed plateauing and high errors. In total, this work serves to rectify previously misconstrued electrochemical data of oxides in molten salts and demonstrate how accurate, in situ concentration measurements can be achieved in real-world systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Addressing Low-Cost Methane Sensor Calibration Shortcomings with Machine Learning

Quantifying methane emissions is essential for meeting near-term climate goals and is typically carried out using methane concentrations measured downwind of the source. One major source of methane that is important to observe and promptly remediate is fugitive emissions from oil and gas production sites but installing methane sensors at the thousands of sites within a production basin is expensive. In recent years, relatively inexpensive metal oxide sensors have been used to measure methane concentrations at production sites. Current methods used to calibrate metal oxide sensors have been shown to have significant shortcomings, resulting in limited confidence in methane concentrations generated by these sensors. To address this, we investigate using machine learning (ML) to generate a model that converts metal oxide sensor output to methane mixing ratios. To generate test data, two metal oxide sensors, TGS2600 and TGS2611, were collocated with a trace methane analyzer downwind of controlled methane releases. Over the duration of the measurements, the trace gas analyzer’s average methane mixing ratio was 2.40 ppm with a maximum of 147.6 ppm. The average calculated methane mixing ratios for the TGS2600 and TGS2611 using the ML algorithm were 2.42 ppm and 2.40 ppm, with maximum values of 117.5 ppm and 106.3 ppm, respectively. A comparison of histograms generated using the analyzer and metal oxide sensors mixing ratios shows overlap coefficients of 0.95 and 0.94 for the TGS2600 and TGS2611, respectively. Overall, our results showed there was a good agreement between the ML-derived metal oxide sensors’ mixing ratios and those generated using the more accurate trace gas analyzer. This suggests that the response of lower-cost sensors calibrated using ML could be used to generate mixing ratios with precision and accuracy comparable to higher priced trace methane analyzers. This would improve confidence in low-cost sensors’ response, reduce the cost of sensor deployment, and allow for timely and accurate tracking of methane emissions.

03 NATURAL GAS↗
DOE OSTI2024

Visualization and Quantification of Wind Induced Variability in Hydrogen Clouds Following Releases of Liquid Hydrogen: Preprint

Well characterized experimental data for consequence model validation is important in progressing the use of liquid hydrogen as an energy carrier. In 2019, the Health and Safety Executive (HSE) undertook a series of liquid hydrogen dispersion and combustion experiments as a part of the Pre-normative Research into the Safe Use of Liquid Hydrogen (PRESLHY) project. In partnership between the National Renewable Energy Laboratory (NREL) and HSE, time and spatially varying hydrogen concentration measurements were made in 25 dispersion experiments and 23 congested ignition experiments associated with PRESLHY WP3 and WP5, respectively. These measurements were undertaken using the hydrogen wide area monitoring system developed by NREL. During the 23 congested ignition experiments, high variability was observed in the measured explosion severity during experiments with similar initial conditions. This led to the conclusion that wind, including localized gusts, had a large influence on the dispersion of the hydrogen, and therefore the quantity of hydrogen that was present in the congested region of the explosions. Using the hydrogen concentration measurements taken immediately prior to ignition, the hydrogen clouds were visualized in an attempt to rationalize the variability in overpressure between the tests. Gaussian process regression was applied to quantify the variability of the measured hydrogen concentrations. This analysis could also be used to guide modifications in experimental designs for future research on hydrogen combustion behavior.

HSR&D↗
DOE OSTI2024

Apparatuses and methods for gas flux measurements

Embodiments of the disclosure are drawn to apparatus and methods for determining gas flux measurements. A gas plume may be emitted from a source and may be blown by wind in an environment. A measurement system, such as a light detection and ranging (lidar) system may collect a plurality of gas concentration measurements associated with the gas plume at a plurality of locations in the environment. A gas flux may be determined based on one or more of the gas concentration measurements along with a wind speed at a location associated with the gas plume. In some embodiments, a height of the gas plume may be determined, and the wind speed at the height of the gas plume may be determined and used to determine the gas flux.

Thorpe, Michael James↗
DOE OSTI2026

Fluorescent Particle Vertical Profiles (Counts and Fractions) at SAIL

This dataset contains vertically resolved fluorescent aerosol number concentrations and fluorescent fractions of total aerosol number concentrations measured with the ARM Tethered Balloon System during the Surface Atmosphere Integrated Field Laboratory campaign near Gothic, Colorado. Measurements were collected during April and June 2023 as part of the ARM–EMSL FICUS project “Characterization of the Aerobiome during the ARM Surface-Atmosphere Integrated Laboratory Campaign,” which was designed to characterize the vertical distribution of bioaerosol-relevant particles in the Colorado River Basin. The dataset includes profiles of fluorescent particle concentrations measured with a Fluorescent Portable Optical Particle Sizer (FPOPS) in the approximately 0.5–3 µm diameter range. For fluorescent fractions of total aerosol number concentrations, we compare FPOPS measurements to POPS on the same TBS flight.

Fluorescent particle concentration↗
DOE OSTI2026

High Time Resolution Modelled and Measured New Particle Formation Rates During the 2023 Pittsburgh, PA Campaign

Particle size distributions are used to calculate nucleation rates during new particle formation (NPF). However, the low time resolution and poor sensitivity of instruments deployed to observe particle size distributions can lead to inaccurate estimates of nucleation rates. We calculated nucleation rates in Pittsburgh, PA from particle size distributions measured with the new high time resolution Condensation Particle Counters For Atmospheric Rapid Measurements (CPC FARM) and from gas precursor concentrations measured with a chemical ionization mass spectrometer. The CPC FARM nucleation rates were calculated by examining the appearance rate of particles in the smallest size bin at 1.6 nm. The nucleation rate of 1.6 nm determined every second resulted in positive and negative rates, indicating the influence of inhomogeneous mixing and advection of precursor gases and clusters. These effects are not currently considered when estimating nucleation rates from measurements. The nucleation rates from the CPC FARM were compared to the nucleation rates determined from a transient acid‐base reaction model using measured sulfuric acid concentration, strong base concentrations, and CPC detection efficiencies. The transient form of the model allowed the advection of heterogeneously mixed precursors to influence the nucleation rate. Good agreement between particle and gas‐based nucleation rates is observed during sulfuric acid‐driven NPF events. This study demonstrates that high time resolution measurements of short‐lived and rapidly formed particles are needed to accurately capture nucleation rates, which are likely influenced by advection of nucleation precursors and clusters in heterogeneous environments such as urban areas.

Cheng, D. [Carnegie Mellon Univ., Pittsburgh, PA (↗
DOE OSTI2025

Zeta potential measurements of SiO 2 and TiO 2 particles in anionic and cationic surfactant solutions

Zeta potential measurements can provide valuable insights into colloidal stability and may reflect changes in the electrochemical double layer that influence electrocatalysis. In this study, we used zeta potential measurements to monitor and investigate the adsorption behavior of anionic sodium dodecyl sulfate (SDS), cationic dodecyl trimethyl ammonium bromide (DTAB), and cationic cetyl trimethyl ammonium bromide (CTAB) surfactants on SiO 2 and TiO 2 particles in DI water. The zeta potentials of SiO 2 and TiO 2 particles were measured as a function of particle concentration in 1.0 mM, 5.0 mM, and 10.0 mM surfactant solutions. Results indicate that there is no significant adsorption of DS - ions on SiO 2 particles across all SDS concentrations investigated in this study. The zeta potential of TiO 2 particles shifts from negative to positive as particle concentration increases at 1.0 mM SDS, indicating a decrease in DS - ions adsorption per TiO 2 particle. Adsorption plateaus at 5.0 mM SDS for all TiO 2 concentrations studied. In contrast, DTA + and CTA + ions showed clear adsorption on SiO 2 particles, but DTA + exhibited no apparent adsorption on TiO 2 particles. Interestingly, CTA + adsorption on TiO 2 was only evident at higher surfactant concentrations. This study presents a systematic investigation of zeta potential behavior as a function of particle and surfactant concentration, highlighting adsorption saturation and electrostatic reversal. Unlike prior work that was limited to single particle concentration measurements, our approach reveals how surfactant adsorption per particle decreases with increasing surface area. Despite the structural similarity between DTAB and CTAB, this study captured the different adsorption behaviors of both surfactants on SiO 2 and TiO 2 , emphasizing the role of the overall structure of the surfactant on surfactant adsorption behavior. These insights refine the interpretation of zeta potential data and advance understanding of surfactant adsorption on oxide particles. The insight provided in this study about surfactant adsorption on SiO 2 and TiO 2 particles could have important implications for the design of more effective colloidal and catalytic systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

MRV Challenge 3: velocity and passive scalar comparison in a 3D turbulent flow

The third iteration of a magnetic resonance velocimetry (MRV) challenge comparison activity consisting of 3D flow measurements for a turbulent flow in a water channel moving past centrally positioned cubic obstacles is reported. In this challenge iteration, MRV measurements are coupled with either temperature or concentration measurements to extend the diagnostic utility. Five research teams from around the world conducted the measurements on a single shared apparatus. The water channel included partial elements along the channel sidewalls that varied in height and precluded easy optical accessibility. In addition to a turbulent mainstream flow, a secondary flow entered the channel between the second and third cubic elements from a square injector hole at the channel bottom wall. The injector jet interacts with the mainstream flow and mixes turbulently as it advects downstream. For the selected flow regime and water solutions used as working fluids, the mixing of the higher temperature or concentration through the secondary flow with the mainstream flow satisfies the same dynamics so that both temperature and concentration fields behave as passive scalars and can be directly compared. The measurements are explained in detail by each participating team, and the results are interpolated onto a common grid and compared using line profiles, contour plots, and isosurfaces.

Benson, Mike [ORNL] (ORCID:000000023210116X)↗
DOE OSTI2025

ExINP NSA Ice Nucleating Particle Concentrations

This data set comprises cumulative ambient ice-nucleating particle (INP) concentrations measured at the National Oceanic and Atmospheric Administration's (NOAA’s) Barrow Atmospheric Baseline Observatory (71.3230° N, 156.6114° W, “BRW” hereafter), next to the Atmospheric Radiation Measurement (ARM) North Slope of Alaska (NSA) site and ~ 6 km northeast of the town of Utqiaġvik. Our INP abundance data were generated using a combination of online instrument, the Portable Ice Nucleation Experiment chamber ver. 3 (PINE-03), and an offline cold stage, the West Texas Cryogenic Refrigerator Applied to Freezing Test system (WT-CRAFT). Our online INP data are all from the Examining the Ice-Nucleating Particles from NSA (ExINP-NSA) campaign conducted from October 19, 2021 to May 24, 2024. The offline INP concentration analysis was performed at West Texas A&M University for aerosol particle samples collected on polycarbonate filters (with 0.2-micron diameter pores). The PINE-03 measurements, as well as sampling activities for offline INP measurements, were conducted using the BRW site. An inset laminar sampling stack was mounted to the instrument platform, allowing PINE-03 to intake particle-laden air. For most of the campaign period, the semi-autonomous PINE-03 chamber was remotely controlled from West Texas A&M University using the LabView interface through the BeyondTrust remote-access console. PINE-03 was set to conduct an immersion freezing expansion experiment (i.e., simulated adiabatic cooling along with RHw at or above 100%). Except during the scheduled maintenance periods, the time resolution of each expansion experiment was approximately 12 minutes. PINE-03 continuously measured INP concentrations during the entire campaign without any substantial breaks. For most of the campaign period, PINE scanned its set-point vessel air temperatures from -14 °C to -31 °C and back to -14 °C about every 120 minutes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

ExINP NSA Ice Nucleating Particle Concentrations

This data set comprises cumulative ambient ice-nucleating particle (INP) concentrations measured at the National Oceanic and Atmospheric Administration's (NOAA’s) Barrow Atmospheric Baseline Observatory (71.3230° N, 156.6114° W, “BRW” hereafter), next to the Atmospheric Radiation Measurement (ARM) North Slope of Alaska (NSA) site and ~ 6 km northeast of the town of Utqiaġvik. Our INP abundance data were generated using a combination of online instrument, the Portable Ice Nucleation Experiment chamber ver. 3 (PINE-03), and an offline cold stage, the West Texas Cryogenic Refrigerator Applied to Freezing Test system (WT-CRAFT). Our online INP data are all from the Examining the Ice-Nucleating Particles from NSA (ExINP-NSA) campaign conducted from October 19, 2021 to May 24, 2024. The offline INP concentration analysis was performed at West Texas A&M University for aerosol particle samples collected on polycarbonate filters (with 0.2-micron diameter pores). The PINE-03 measurements, as well as sampling activities for offline INP measurements, were conducted using the BRW site. An inset laminar sampling stack was mounted to the instrument platform, allowing PINE-03 to intake particle-laden air. For most of the campaign period, the semi-autonomous PINE-03 chamber was remotely controlled from West Texas A&M University using the LabView interface through the BeyondTrust remote-access console. PINE-03 was set to conduct an immersion freezing expansion experiment (i.e., simulated adiabatic cooling along with RHw at or above 100%). Except during the scheduled maintenance periods, the time resolution of each expansion experiment was approximately 12 minutes. PINE-03 continuously measured INP concentrations during the entire campaign without any substantial breaks. For most of the campaign period, PINE scanned its set-point vessel air temperatures from -14 °C to -31 °C and back to -14 °C about every 120 minutes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

CO2 and CH4 leaf-level fluxes and soil porewater concentrations from common vegetation patches in Louisiana’s coastal wetlands

This dataset contains leaf-level flux and soil porewater concentration measurements of carbon dioxide (CO2) and methane (CH4 ) in plots in the footprint of Ameriflux sites US-LA2 and US-LA3. Leaf fluxes in US-LA2 were measured on patches dominated by Sagittaria lancifolia and co-dominated by Sagittaria lancifolia and Typha latifolia. In US-LA3, fluxes were measured from distinct Juncus roemerianus and Spartina alterniflora patches. The porewater concentrations were collected across a vertical profile (~50 cm depth) at centric locations within 25 m2 plots where we measured the leaf fluxes. US-LA3 included an additional set of measurements in open water spots. We aimed to evaluate differences in leaf fluxes and porewater pools of CO2 and CH4 of representative ecohydrological patches across a salinity gradient. We also used this dataset to help develop ELM-Wet, a more realistic representation of wetland carbon biogeochemical processes within the U.S. Department of Energy’s Energy Exascale Earth System Model (E3SM) Land Model version 1 (ELM v.1). The files can be opened with regular text editors or spreadsheet programs. Version 2.0 (8/26/2025): This is the latest version of this dataset. The update includes additional samples of soil porewater CH4/CO2 concentrations from June-2021 to November-2022, as well as minor adjustments made to V1 samples via changing Henry's solubility to account for porewater salinity. Additionally leaf-level measurments of spectral indices, PSRI, NDVI, and PRI have been added to complement Leaf-level flux measurements. All V1 data sets have been integrated into V2 sheets, ensuring data from the previous version is contained with the additional samples and consistent with V2 metadata.

54 ENVIRONMENTAL SCIENCES↗