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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Data for Stetten et al. (2025), "Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)"

Coastal environments are dynamic interfaces that mediate carbon and nutrient exchanges between terrestrial landscapes and open waters, but it is unclear how biogeochemical reactions, in particular iron (Fe) redox transformations, affect the understanding and prediction of coastal ecosystem functions. This dataset includes measurements from two freshwater sites in the Western and Central basins of Lake Erie (Ohio, United States) and two estuarine sites in the Chesapeake Bay (Maryland, United States); the analytical results were reported by Stetten et al. (2025) in Science of the Total Environment. It was produced as part of the COMPASS-FME project, which seeks to advance a scalable, predictive understanding of the fundamental biogeochemical processes, ecological structure, and ecosystem dynamics that distinguish coastal terrestrial-aquatic interfaces from the purely terrestrial or aquatic systems to which they are coupled. The sites were sampled in November 2022 (CRC), December 2022 (MSM), February 2023 (GCW), and March 2023 (OWC); site codes follow those used by Pennington et al. (2025).The dataset consists of the following soil data:- Solid data (Fe concentration, etc.)- Porewater data (sulfate, sulfide, etc.)- Linear combination fitting results of X-ray absorption near edge structure (XANES) spectra; i.e., quantitative results of the oxidation state of Fe, indicated as a proportion of pure Fe(III) and Fe(II) model compounds- Linear combination fitting results of EXAFS (extended X-ray absorption fine structure) spectra, indicated as proportion of of Fe-model compounds (illite, smectite, etc.)Each data type has a single file in comma-separated value (CSV) format. No special software is required to read it.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Sulfur speciation in hydrous experimental glasses of varying oxidation state - Results from measured wavelength shifts of sulfur X-rays

The focusing geometry of an electron microprobe has been used to measure the wavelength shifts of sulfur X-rays from hydrous experimental melts synthesized at oxygen fugacities that range from near the iron-wustite buffer to the magnetite-hermatite buffer. It is found that the proportion of dissolved sulfur which is present as sulfate increases with increasing oxygen fugacity. It is noted that in natural melts that have equilibrated at or below fayalite-magnetite-quartz values of +1, sulfur is probably present mainly as S(2-).

Carroll, Michael R.↗
NASA NTRS1993

Effect of iodine disinfectant source and water quality parameters on soluble iodine speciation

Investigations of iodine species distribution of various aqueous solutions of iodine disinfectants and water from equilibrated suspensions of triodide and pentaiodide resins were done at the University of Colorado for the Center for Space Environmental Health during 1992 and 1993. Direct measurements of three individual iodine species: I(-), I2 and I3(-), were made. In addition three measures of total titratable iodine species were used. It has been found that I2 and I3(-) solutions produce a significant fraction of the non-disinfecting species iodine I(-), ranging from 50 to 80% of added iodine, respectively, at pH values of approximately 5. Correspondingly, I2 solutions produce more than twice the concentration of disinfecting iodine species per mass iodine dose than I3(-) solutions. Both I(-) and I2 species were found in aqeuous extracts of pentaiodide resin, although no soluble species were detected with triiodide resin.

Silverstein, Joann↗
NASA NTRS1999

Non-Intrusive Laser-Induced Imaging for Speciation and Patternation in High Pressure Gas Turbine Combustors

The next generation of was turbine combustors for aerospace applications will be required to meet increasingly stringent constraints on fuel efficiency, noise abatement, and emissions. The power plants being designed to meet these constraints will operate at extreme conditions of temperature and pressure, thereby generating unique challenges to the previously employed diagnostic methodologies. Current efforts at NASA Glenn Research Center (GRC) utilize optically accessible, high pressure flametubes and sector combustor rigs to probe, via advanced nonintrusive laser techniques, the complex flowfields encountered in advanced combustor designs. The fuel-air mixing process is of particular concern for lowering NO(x) emissions generated in lean, premixed engine concepts. Using planar laser-induced fluorescence (PLIF) we have obtained real-time, detailed imaging of the fuel spray distribution for a number of fuel injector over a wide range of operational conditions that closely match those expected in the proposed propulsion systems. Using a novel combination of planar imaging, of fuel fluorescence and computational analysis that allows an examination of the flowfield from any perspective, we have produced spatially and temporally resolved fuel-air distribution maps. These maps provide detailed insight into the fuel injection at actual conditions never before possible, thereby greatly enhancing the evaluation of fuel injector performance and combustion phenomena.

Locke, Randy J.↗
NASA NTRS2002

The Speciation of Sulfur in an Ocean on Europa

Stability of native sulfur, iron sulfides, and aqueous sulfur compounds is evaluated at assumed P-T conditions of the Europa's ocean floor. Pyrite, gypsum, and ferric hydroxides can coexist in contact with sulfate-rich oceanic water. Additional information is contained in the original extended abstract.

Zolotov, M. Yu.↗
NASA NTRS1996

Numerical simulation of iodine speciation in relation to water disinfection aboard manned spacecraft I. Equilibria

Elemental iodine (I2) is currently used as the drinking water disinfectant aboard the Shuttle Orbiter and will also be incorporated into the water recovery and distribution system for the International Space Station Alpha. Controlled release of I2 is achieved using the Microbial Check Valve (MCV), a flow-through device containing an iodinated polymer which imparts a bacteriostatic residual concentration of approximately 2mg/L to the aqueous stream. During regeneration of MCV canisters, I2 concentrations of approximately 300 mg/L are used. Dissolved iodine undergoes a series of hydrolytic disproportionation and related reactions which result in the formation of an array of inorganic species including: I-, I3-, HOI, OI-, IO3-, HIO3, I2OH-, I2O(-2), and H2OI+. Numerical estimation of the steady-state distribution of inorganic iodine containing species in pure water at 25 degrees C has been achieved by simultaneous solution of the multiple equilibrium expressions as a function of pH. The results are reported herein.

NASA Discipline Environmental Health↗
NASA NTRS1991

Bellagio conference and book. Symbiosis as Source of Evolutionary Innovation: Speciation and Morphogenesis. Conference--June 25-30, 1989, Bellagio Conference Center, Italy

This conference at the Bellagio Conference Center, Italy, from June 25-30, 1989, provided a unique opportunity for evolutionary theorists and symbiosis biologists to cross the boundaries of their respective disciplines and share ideas. A major task was to address the adequacy of the prevailing neodarwinian concept of evolution with respect to the relative importance of symbiosis in the origin of morphological and evolutionary novelty.

NASA Discipline Number 52-30↗
NASA NTRS2017

Anionic Pt in Silicate Melts at Low Oxygen Fugacity: Speciation, Partitioning and Implications for Core Formation Processes on Asteroids

Most siderophile element concentrations in planetary mantles can be explained by metal/ silicate equilibration at high temperature and pressure during core formation. Highly siderophile elements (HSE = Au, Re, and the Pt-group elements), however, usually have higher mantle abundances than predicted by partitioning models, suggesting that their concentrations have been set by late accretion of material that did not equilibrate with the core. The partitioning of HSE at the low oxygen fugacities relevant for core formation is however poorly constrained due to the lack of sufficient experimental constraints to describe the variations of partitioning with key variables like temperature, pressure, and oxygen fugacity. To better understand the relative roles of metal/silicate partitioning and late accretion, we performed a self-consistent set of experiments that parameterizes the influence of oxygen fugacity, temperature and melt composition on the partitioning of Pt, one of the HSE, between metal and silicate melts. The major outcome of this project is the fact that Pt dissolves in an anionic form in silicate melts, causing a dependence of partitioning on oxygen fugacity opposite to that reported in previous studies.

Medard, E.↗
NASA NTRS2019

Origin and Speciation of Sulfur Compounds in the Murray Formation, Gale Crater, Mars

The Mars Curiosity rover has traversed nearly 20 km and gained over 350 meters in elevation since landing in Gale crater in August 2012. Through 2250 sols of surface operations, Curiosity has spent approximately 60% of its time investigating the Murray formation, a unit of layered sediments. The occurrence of sulfur compounds in the Murray formation has been established by imaging of light-toned veins by MastCam and MAHLI, chemical compositions measured by the Alpha Particle X-ray Spectrometer (APXS) and ChemCam, crystalline phase identifications by the CheMin X-ray diffractometer, and evolved gas analyses from the Sample Analysis at Mars (SAM) instrument.

Yen, A. S.↗
NASA NTRS2022

Identifying Chemical Aerosol Signatures Using Optical Suborbital Observations: How Much Can Optical Properties Tell us about Aerosol Composition?

Improvements in air quality and Earth’s climate predictions require improvements of the aerosol speciation in chemical transport models, using observational constraints. Aerosol speciation (e.g., organic aerosols, black carbon, sulfate, nitrate, ammonium, dust or sea salt) is typically determined using in situ instrumentation. Continuous, routine surface network aerosol composition measurements are not uniformly widespread over the globe. Satellites, on the other hand, can provide a maximum coverage of the horizontal and vertical atmosphere but observe aerosol optical properties (and not aerosol speciation) based on remote sensing instrumentation. Combinations of satellite-derived aerosol optical properties can inform on air mass aerosol types (AMTs e.g., clean marine, dust, polluted continental). However, these AMTs are subjectively defined, might often be misclassified and are hard to relate to the critical parameters that need to be refined in models. In this paper, we derive AMTs that are more directly related to sources and hence to speciation. They are defined, characterized, and derived using simultaneous in situ gas-phase, chemical and optical instruments on the same aircraft during the Study of Emissions and Atmospheric Composition, Clouds, and Climate Coupling by Regional Surveys (SEAC4RS, US, summer of 2013). First, we prescribe well-informed AMTs that display distinct aerosol chemical and optical signatures to act as a training AMT dataset. These in situ observations reduce the errors and ambiguities in the selection of the AMT training dataset. We also investigate the relative skill of various combinations of aerosol optical properties to define AMTs and how much these optical properties can capture dominant aerosol speciation. We find distinct optical signatures for biomass burning (from agricultural or wildfires), biogenic and dust-influence AMTs. Useful aerosol optical properties to characterize these signatures are the extinction angstrom exponent (EAE), the single scattering albedo, the difference of single scattering albedo in two wavelengths, the absorption coefficient, the absorption angstrom exponent (AAE), and the real part of the refractive index (RRI). We find that all four AMTs studied when prescribed using mostly airborne in situ gas measurements, can be successfully extracted from at least three combinations of airborne in situ aerosol optical properties (e.g., EAE, AAE and RRI) over the US during SEAC4RS. However, we find that the optically based classifications for BB from agricultural fires and polluted dust include a large percentage of misclassifications that limit the usefulness of results relating to those classes. The technique and results presented in this study are suitable to develop a representative, robust and diverse source-based AMT database. This database could then be used for widespread retrievals of AMTs using existing and future remote sensing suborbital instruments/networks. Ultimately, it has the potential to provide a much broader observational aerosol data set to evaluate chemical transport and air quality models than is currently available by direct in situ measurements. This study illustrates how essential it is to explore existing airborne datasets to bridge chemical and optical signatures of different AMTs, before the implementation of future spaceborne missions (e.g., the next generation of Earth Observing System (EOS) satellites addressing Aerosol, Cloud, Convection and Precipitation (ACCP) designated observables).

Meloe S F Kacenelenbogen↗
DOE OSTI2024

The Radiation-Induced Fate of Fission Product Iodine in Molten Salts

Understand and Predict Radiation-Induced Iodine Speciation, Chemistry, and Transport in High-Temperature Molten Salts Award Number: DE-AC07-05ID1451 Gregory P. Holmbeck (Gregory.Holmbeck@inl.gov), Center for Radiation Chemistry Research, Idaho National Laboratory, 1955 N. Fremont Avenue Idaho Falls, ID, 83415, USA. Project Scope The goal of this Chemical and Materials Sciences to Advance Clean Energy Technologies and Low-Carbon Manufacturing project is to understand and predict the radiation-induced speciation, chemistry, and transport of fission product iodine in the triumvirate extremes of high-temperature, ionizing radiation, and corrosive molten salts. This missing fundamental information is critical for the accelerated development and deployment of safe, clean nuclear energy based on molten salt reactor (MSR) and pyrochemical reprocessing technologies. The central hypothesis driving this research is, the radiation-induced conversion of iodide will yield an extensive suite of transient and steady-state iodine radiolysis products that will alter the bulk chemical and physical properties of the irradiated molten salt system—the speciation, distribution, and chemical transport of which will be dictated by the composition and the availability of multivalent metal cations and metal alloy interfaces. To test this hypothesis, this project initiated three synergistic Research Objectives: (1) determine how the inclusion of iodine/iodide influences the chemical and physical properties of complex molten salt mixtures; (2) elucidate the speciation and fundamental chemical behavior of transient and steady-state iodine/iodide species formed by the irradiation of molten and solid salt mixtures; and (3) understand the influence of interfacial processes on determining the final disposition of iodine in high temperature molten salts, notably the structure and chemical speciation of iodine at metal-salt interfaces.

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

Quantification of the REE 3+ aqua ions and chloride species in aqueous fluids by in situ Raman spectroscopy using perturbations of the water band

Acidic NaCl-rich aqueous fluids play a crucial role in forming hydrothermal rare earth elements (REE) mineral deposits. Aqueous REE mobility is mostly controlled by the stabilities of REE 3+ and REE chloride species. Our current knowledge of REE speciation is based on solubility data, thermodynamic models and in situ spectroscopic measurements, sometimes coupled with molecular simulations. Here, in this study, we investigate Nd and Yb speciation in pH2 Cl-bearing solutions at 25 °C and 0.1 MPa with variable Cl/REE ratios using Raman Spectroscopy in solutions with 0.1 to 0.6 mol/kg NdCl 3 or YbCl 3 and 0.2 to 3.2 mol/kg NaCl. Due to the challenges in resolving the REE-Cl band, we developed a new method using the water vibrational mode and multivariate curve resolution (MCR) analysis. The Raman spectra for the vibrational band of water (2700 to 3900 cm –1 ) were collected at 25 °C and fitted by three Gaussian sub-peaks, then quantified using MCR analysis to de-convolute the water band into bulk H 2 O and the perturbations caused by of Cl – , REE 3+ , and REE chloride species. REE speciation based on the perturbations of the water band indicates that REE 3+ aqua ions dominate acidic solutions at 25 °C, but up to ~20 mol% YbCl 2+ forms at high YbCl 3 concentrations. The new method is promising for quantifying in situ speciation of the REE 3+ aqua ions and REE chloride species in aqueous fluids while providing information on the hydration of ions. This method improves our molecular level understanding of REE aqueous species stability and their role in REE mobilization during fluid-rock interaction.

58 GEOSCIENCES↗