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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 OSTI2022

Neptunium redox speciation and determination of its total concentration in dissolved fuel simulant solutions by spectrophotometry

Here, two new approaches to measure Np concentration in dissolved used nuclear fuel simulant (aqueous feed for PUREX process) by spectrophotometry are developed. The first approach is based on chemical reduction of Np in the feed to its tetravalent state using ascorbic acid with simultaneous conversion of Pu(IV) to Pu(III). Interfering effects from light absorbing fission and corrosion products are accounted for by measuring optical absorbance spectrum of aqueous raffinate after extraction of U, Np, and Pu by tributyl phosphate in dodecane. The second approach uses no chemical treatment at all and relies on spontaneous valency adjustment of Np to Np(V) by dilution of the feed with water to reduce its acidity to low decimolar range of nitric acid concentration. Results of Np determination in the feed by spectrophotometry are in good agreement with its concentration measured by ICP-MS.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Slitless spectrophotometry with forward modelling: Principles and application to measuring atmospheric transmission

Context.In the next decade, many optical surveys will aim to answer the question of the nature of dark energy by measuring its equation-of-state parameter at the per mill level. This requires trusting the photometric calibration of the survey with a precision never reached so far on many sources of systematic uncertainties. The measurement of the on-site atmospheric transmission for each exposure, or for each season or for the full survey on average, can help reach the per mill precision for the magnitudes. Aims.This work aims at proving the ability to use slitless spectroscopy for standard-star spectrophotometry and its use to monitor on-site atmospheric transmission as needed, for example, by theVera C. RubinObservatory Legacy Survey of Space and Time supernova cosmology program. We fully deal with the case of a disperser in the filter wheel, which is the configuration chosen in theRubinAuxiliary Telescope. Methods.The theoretical basis of slitless spectrophotometry is at the heart of our forward-model approach to extract spectroscopic information from slitless data. We developed a publicly available software calledSpectractor, which implements each ingredient of the model and finally performs a fit of a spectrogram model directly on image data to obtain the spectrum. Results.We show through simulations that our model allows us to understand the structure of spectrophotometric exposures. We also demonstrate its use on real data by solving specific issues and illustrating that our procedure allows the improvement of the model describing the data. Finally, we discuss how this approach can be used to directly extract atmospheric transmission parameters from the data and thus provide the base for on-site atmosphere monitoring. We show the efficiency of the procedure in simulations and test it on the limited available data set.

Astronomy & Astrophysics↗
DOE OSTI2022

Feasibility Study of Spectrophotometry to Support a Promethium Production Program at ORNL

Optical spectroscopy can be used to optimize analytical measurements for lanthanide elements and provide real-time feedback to help guide production operations. This study evaluates spectrophotometry for the determination of samarium (Sm 3+ ) and neodymium (Nd 3+ ) in aqueous and organic solutions at concentrations relevant to a promethium (Pm) program separation scheme. Detection limits approached 0.5 mM for Nd 3+ and 2 mM for Sm 3+ using Ocean Insight spectrophotometers. Additionally, Sm 3+ detection limits using laser fluorescence spectra for Sm 3+ approached single ppm (mg∙L -1 ) levels. An absorption spectrum containing Nd and Pm is also reported and discussed. This work demonstrates proofof-principle concepts for applying spectrophotometry to online monitoring applications in support of a future Pm production program.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Acid–Base Properties of Azo Dyes in Solution Studied Using Spectrophotometry and Colorimetry

Colorimetry and spectrophotometry with chemometric data processing were used to study the acid–base properties of azo dyes in aqueous solution. The capabilities of both methods were compared. Ionization constants of all the functional groups of the azo compounds studied could be determined relative to the change in the specific color difference depending on the acidity of the medium. The colorimetric functions of ion-molecular forms of azo compounds used as an analytical signal allow us to obtain complete information on the acid–base equilibrium in a wide acidity range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

The H-band emitting region of the luminous blue variable P Cygni: Spectrophotometry and interferometry of the wind

We present the first high angular resolution observations in the near-infrared H band (1.6 μm) of the luminous blue variable star P Cygni. We obtained six-telescope interferometric observations with the CHARA Array and the MIRC beam combiner. These show that the spatial flux distribution is larger than expected for the stellar photosphere. A two-component model for the star (uniform disk) plus a halo (two-dimensional Gaussian) yields an excellent fit of the observations, and we suggest that the halo corresponds to flux emitted from the base of the stellar wind. This wind component contributes about 45% of the H-band flux and has an angular FWHM = 0.96 mas, compared to the predicted stellar diameter of 0.41 mas. We show several images reconstructed from the interferometric visibilities and closure phases, and they indicate a generally spherical geometry for the wind. We also obtained near-infrared spectrophotometry of P Cygni from which we derive the flux excess compared to a purely photospheric spectral energy distribution. The H-band flux excess matches that from the wind flux fraction derived from the two-component fits to the interferometry. We find evidence of significant near-infrared flux variability over the period from 2006 to 2010 that appears similar to the variations in the Hα emission flux from the wind.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Rational Evaluation and Cycle Life Improvement of Quinone-Based Aqueous Flow Batteries Guided by In-Line Optical Spectrophotometry

We measure electrolyte concentration and state-of-charge in real time in an operating aqueous anthraquinone-based flow battery using in-line optical spectrophotometry. By capitalizing on the linear transition in absorption spectra between oxidized and reduced states, we show how discontinuous capacity fade rates in redox flow batteries can be caused by a transition from one capacity-limiting electrolyte to the other, which is caused by reactant crossover. With this insight, we demonstrate an electrolyte-balancing scheme, which can be broadly applicable to flow battery systems with asymmetric electrolyte crossover rates.

25 ENERGY STORAGE↗
DOE OSTI2016

A NEW CONCEPT FOR SPECTROPHOTOMETRY OF EXOPLANETS WITH SPACE-BORNE TELESCOPES

We propose a new concept for the spectral characterization of transiting exoplanets with future space-based telescopes. This concept, called densified pupil spectroscopy, allows us to perform high, stable spectrophotometry against telescope pointing jitter and deformation of the primary mirror. This densified pupil spectrometer comprises the following three roles: division of a pupil into a number of sub-pupils, densification of each sub-pupil, and acquisition of the spectrum of each sub-pupil with a conventional spectrometer. Focusing on the fact that the divided and densified sub-pupil can be treated as a point source, we discovered that a simplified spectrometer allows us to acquire the spectra of the densified sub-pupils on the detector plane−an optical conjugate with the primary mirror−by putting the divided and densified sub-pupils on the entrance slit of the spectrometer. The acquired multiple spectra are not principally moved on the detector against low-order aberrations such as the telescope pointing jitter and any deformation of the primary mirror. The reliability of the observation result is also increased by statistically treating them. Our numerical calculations show that because this method suppresses the instrumental systematic errors down to 10 ppm under telescopes with modest pointing accuracy, next generation space telescopes with more than 2.5 m diameter potentially provide opportunities to characterize temperate super-Earths around nearby late-type stars through the transmission spectroscopy and secondary eclipse.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Comparing Designed Training Sets to Optimize Multivariate Regression Models for Pr, Nd, and Nitric Acid Using Spectrophotometry

Chemometric regression models were developed for the quantification of praseodymium (Pr, 0–1000 µg/mL), neodymium (Nd, 0–1000 µg/mL), and nitric acid (HNO 3 , 0.1–5 M) using spectrophotometry. Designed calibration sets were composed of 20 samples each: 10 model points and 10 lack-of-fit (LOF) points. The D-optimal designs effectively minimized the number of samples required to build models, and each design resulted in similar prediction performance, suggesting that statistical design of experiments can provide a reliable framework for selecting training set samples in three-variable systems. Partial least squares regression (PLSR) models were validated against a one-factor-at-a-time validation set composed of 125 samples (three variables, five levels). The top PLS-1 models resulted in average percent root mean square error of prediction error values of 3.5%, 1.7%, and 1.2% for Pr(III), Nd(III), and HNO 3 , respectively. Power set augmentations of the model and LOF samples were investigated to optimize the number of training set samples. PLSR models built using just required model points (10) had similar predictive capabilities as models including the LOF points (20) but with fewer samples. The number of validation samples was also varied systematically to learn how many samples are needed to validate regression models. This work addresses long-standing questions in the field of chemometrics to help make this approach amenable to the near-real-time quantification of hazardous species in remote settings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Partial Least Squares, Experimental Design, and Near-Infrared Spectrophotometry for the Remote Quantification of Nitric Acid Concentration and Temperature

Near-infrared spectrophotometry and partial least squares regression (PLSR) were evaluated to create a pleasantly simple yet effective approach for measuring HNO3 concentration with varying temperature levels. A training set, which covered HNO3 concentrations (0.1–8 M) and temperature (10–40 °C), was selected using a D-optimal design to minimize the number of samples required in the calibration set for PLSR analysis. The top D-optimal-selected PLSR models had root mean squared error of prediction values of 1.4% for HNO 3 and 4.0% for temperature. The PLSR models built from spectra collected on static samples were validated against flow tests including HNO 3 concentration and temperature gradients to test abnormal conditions (e.g., bubbles) and the model performance between sample points in the factor space. Based on cross-validation and prediction modeling statistics, the designed near-infrared absorption approach can provide remote, quantitative analysis of HNO 3 concentration and temperature for production-oriented applications in facilities where laser safety challenges would inhibit the implementation of other optical techniques (e.g., Raman spectroscopy) and in which space, time, and/or resources are constrained. The experimental design approach effectively minimized the number of samples in the training set and maintained or improved PLSR model performance, which makes the described chemometric approach more amenable to nuclear field applications.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Cloud Atlas: Unraveling the Vertical Cloud Structure with the Time-series Spectrophotometry of an Unusually Red Brown Dwarf

Rotational modulations of emission spectra in brown dwarf and exoplanet atmospheres show that clouds are often distributed non-uniformly in these ultracool atmospheres. The spatial heterogeneity in cloud distribution demonstrates the impact of atmospheric dynamics on cloud formation and evolution. In this study, we update the Hubble Space Telescope (HST) time-series data analysis of the previously reported rotational modulations of WISEP J004701+680352—an unusually red late-L brown dwarf with a spectrum similar to that of the directly imaged planet HR 8799e. We construct a self-consistent spatially heterogeneous cloud model to explain the HST and the Spitzer time-series observations, as well as the time-averaged spectra of WISE 0047. Additionally, in the heterogeneous cloud model, a cloud thickness variation of around one pressure scale height explains the wavelength dependence in the HST near-IR spectral variability. By including disequilibrium CO/CH 4 chemistry, our models also reproduce the redder $J-{K}_{{\rm{s}}}$ color of WISE 0047 compared to that of field brown dwarfs. We discuss the impact of vertical cloud structure on atmospheric profile and estimate the minimum eddy diffusivity coefficient for other objects with redder colors. Our data analysis and forward modeling results demonstrate that time-series spectrophotometry with a broad wavelength coverage is a powerful tool for constraining heterogeneous atmospheric structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Ultracool Dwarfs Observed with the Spitzer Infrared Spectrograph. I. An Accurate Look at the L-to-T Transition at ~300 Myr from Optical Through Mid-infrared Spectrophotometry

Here we present Spitzer IRS 5–14 μm spectra and 16 μm and 22 μm photometry of the T2.5 companion to the ~300 Myr old G0V star HN Peg. We incorporate previous 0.8–5 μm observations to obtain the most comprehensive spectral energy distribution (SED) of an intermediate-gravity L/T-transition dwarf that, together with an accurate Gaia EDR3 parallax of the primary, enables us to derive precise fundamental parameters. We find that young (≈0.1–0.3 Gyr) early-T dwarfs on average have ≈140 K lower effective temperatures, ≈20% larger radii, and similar bolometric luminosities compared to ≳1 Gyr old field dwarfs with similar spectral types. Our accurate infrared spectrophotometry offers new detail at wavelengths where the dominant carbon-bearing molecules have their strongest transitions: at 3.4 μm for methane and at 4.6 μm for carbon monoxide. We assess the performance of various widely available photospheric models and find that models with condensates and/or clouds better reproduce the full SED of this moderately young early-T dwarf. However, cloud-free models incorporating a more general convective instability treatment reproduce at least the low-resolution near-infrared spectrum similarly well. Our analysis of R ≈ 2300 J-band spectra shows that the near-infrared potassium absorption lines in HN Peg B have similar strengths to those seen in both younger and older T2–T3 dwarfs. We conclude that while alkali lines are well established as surface gravity indicators for L-type or warmer stars, they are insensitive to surface gravity in early-T dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Total Carbohydrate Content Determination of Microalgal Biomass by Acid Hydrolysis Followed by Spectrophotometry or Liquid Chromatography

The carbohydrate fraction of microalgal biomass is complex and consists of a combination of neutral, acidic, amino sugars, and sugar alcohols. These carbohydrate amalgamations can be difficult to accurately quantify with the most analytical carbohydrate determination techniques. The method described here provides a straightforward two-step sulfuric acid hydrolysis followed by soluble carbohydrate quantification by either a spectrophotometric method (based on aldehyde functional group derivatization), for an overall combined monomeric sugar concentration determination, or a liquid chromatography method, for a more specific monomeric sugar profile.

09 BIOMASS FUELS↗
DOE OSTI2017

A Combined Density Functional Theory and Spectrophotometry Study of the Bonding Interactions of [NpO 2 ·M] 4+ Cation–Cation Complexes

The equilibrium constants for [NpO 2 M∙] 4+ (M = Al 3+ , In 3+ , Sc 3+ , Fe 3+ ) in μ = 10 M nitric acid and [NpO 2 ∙Ga] 4+ in μ = 10 M hydrochloric acid media have been determined. The trend in the interaction strength follows: Fe 3+ > Sc 3+ In 3+ > Ga 3+ Al 3+ . These equilibrium constants are compared to those of previously reported values for NpO 2 + complexes with Cr 3+ and Rh 3+ within the literature. Thermodynamic parameters and bonding modes are discussed, with density functional theory and natural bond orbital analysis indicating that the NpO 2 + dioxocation acts as a -donor with transition-metal cations and a sigma donor with group 13 cations. The small changes in electron-donating ability is modulated by the overlap with the coordinating metal ion's valence atomic orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

THE STAR FORMATION HISTORY AND METAL CONTENT OF THE GREEN PEAS. NEW DETAILED GTC-OSIRIS SPECTROPHOTOMETRY OF THREE GALAXIES

We present deep broadband imaging and long-slit spectroscopy of three compact, low-mass starburst galaxies at redshift z {approx} 0.2-0.3, also referred to as Green Peas (GP). We measure physical properties of the ionized gas and derive abundances for several species with high precision. We find that the three GPs display relatively low extinction, low oxygen abundances, and remarkably high nitrogen-to-oxygen ratios. We also report on the detection of clear signatures of Wolf-Rayet (W-R) stars in these galaxies. We carry out a pilot spectral synthesis study using a combination of both population and evolutionary synthesis models. Their outputs are in qualitative agreement, strongly suggesting a formation history dominated by starbursts. In agreement with the presence of W-R stars, these models show that these GPs currently undergo a major starburst producing between {approx}4% and {approx}20% of their stellar mass. However, as models imply, they are old galaxies that formed most of their stellar mass several Gyr ago. The presence of old stars has been spectroscopically verified in one of the galaxies by the detection of Mg I {lambda}{lambda}5167, 5173 absorption lines. Additionally, we perform a surface photometry study based on Hubble Space Telescope data, which indicates that the three galaxies possess an exponential low surface brightness envelope. If due to stellar emission, the latter is structurally compatible with the evolved hosts of luminous blue compact dwarf (BCD)/H II galaxies, suggesting that GPs are identifiable with major episodes in the assembly history of local BCDs. These conclusions highlight the importance of these objects as laboratories for studying galaxy evolution at late cosmic epochs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

SOFIA infrared spectrophotometry of comet C/2012 K1 (Pan-STARRS)

We present pre-perihelion infrared 8–31 μm spectrophotometric and imaging observations of comet C/2012 K1 (Pan-STARRS), a dynamically new Oort Cloud comet, conducted with NASA's Stratospheric Observatory for Infrared Astronomy facility (+FORCAST) in 2014 June. As a “new” comet (first inner solar system passage), the coma grain population may be extremely pristine, unencumbered by a rime and insufficiently irradiated by the Sun to carbonize its surface organics. The comet exhibited a weak 10 μm silicate feature ≃1.18 ± 0.03 above the underlying best-fit 215.32 ± 0.95 K continuum blackbody. Thermal modeling of the observed spectral energy distribution indicates that the coma grains are fractally solid with a porosity factor D = 3 and the peak in the grain size distribution, a{sub peak} = 0.6 μm, large. The sub-micron coma grains are dominated by amorphous carbon, with a silicate-to-carbon ratio of 0.80{sub −0.20}{sup +0.25}. The silicate crystalline mass fraction is 0.20{sub −0.10}{sup +0.30}, similar to with other dynamically new comets exhibiting weak 10 μm silicate features. The bolometric dust albedo of the coma dust is 0.14 ± 0.01 at a phase angle of 34.°76, and the average dust production rate, corrected to zero phase, at the epoch of our observations was Afρ ≃ 5340 cm.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Pupil Masks for Spectrophotometry of Transiting Exoplanets

Spectrophotometric stability, which is crucial in the spectral characterization of transiting exoplanets, is affected by photometric variations arising from field-stop loss in space telescopes with pointing jitter or primary mirror deformation. This paper focuses on a new method for removing slit-loss or field-stop-loss photometric variation through the use of a pupil mask. Two types of pupil function are introduced: the first uses conventional (e.g., Gaussian or hyper-Gaussian) apodizing patterns; whereas the second, which we call a block-shaped mask, employs a new type of pupil mask designed for high photometric stability. A methodology for the optimization of a pupil mask for transit observations is also developed. The block-shaped mask can achieve a photometric stability of 10{sup −5} for a nearly arbitrary field-stop radius when the pointing jitter is smaller than approximately 0.7λ/D and a photometric stability of 10{sup −6} at a pointing jitter smaller than approximately 0.5λ/D. The impact of optical aberrations and mask imperfections upon mask performance is also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗