SEARCH · Engineering Papers

Results for “equilibrium modeling”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 307 records · Page 17

All sources NASA NTRS DOE OSTI

NASA NTRS2004

Predicting the Atmospheric Composition of Extrasolar Giant Planets

To date, approximately 120 planet-sized objects have been discovered around other stars, mostly through the radial-velocity technique. This technique can provide information about a planet s minimum mass and its orbital period and distance; however, few other planetary data can be obtained at this point in time unless we are fortunate enough to find an extrasolar giant planet that transits its parent star (i.e., the orbit is edge-on as seen from Earth). In that situation, many physical properties of the planet and its parent star can be determined, including some compositional information. Our prospects of directly obtaining spectra from extrasolar planets may improve in the near future, through missions like NASA's Terrestrial Planet Finder. Most of the extrasolar giant planets (EGPs) discovered so far have masses equal to or greater than Jupiter's mass, and roughly 16% have orbital radii less than 0.1 AU - extremely close to the parent star by our own Solar-System standards (note that Mercury is located at a mean distance of 0.39 AU and Jupiter at 5.2 AU from the Sun). Although all EGPs are expected to have hydrogen-dominated atmospheres similar to Jupiter, the orbital distance can strongly affect the planet's temperature, physical, chemical, and spectral properties, and the abundance of minor, detectable atmospheric constituents. Thermochemical equilibrium models can provide good zero-order predictions for the atmospheric composition of EGPs. However, both the composition and spectral properties will depend in large part on disequilibrium processes like photochemistry, chemical kinetics, atmospheric transport, and haze formation. We have developed a photochemical kinetics, radiative transfer, and 1-D vertical transport model to study the atmospheric composition of EGPs. The chemical reaction list contains H-, C-, O-, and N-bearing species and is designed to be valid for atmospheric temperatures ranging from 100-3000 K and pressures up to 50 bar. Here we examine the effect of stellar distance (e.g., incident ultraviolet flux, atmospheric temperature) on the chemical properties of EGPs. The model is applied to two generic Class II and III intermediate temperature EGPs located at 3.3 and 0.27 AU from a solar-like parent star, and the results are compared with a model for Jupiter at 5.2 AU.

Sharp, A. G.↗

NASA NTRS2001

Beneficial effects of humic acid on micronutrient availability to wheat

Humic acid (HA) is a relatively stable product of organic matter decomposition and thus accumulates in environmental systems. Humic acid might benefit plant growth by chelating unavailable nutrients and buffering pH. We examined the effect of HA on growth and micronutrient uptake in wheat (Triticum aestivum L.) grown hydroponically. Four root-zone treatments were compared: (i) 25 micromoles synthetic chelate N-(4-hydroxyethyl)ethylenediaminetriacetic acid (C10H18N2O7) (HEDTA at 0.25 mM C); (ii) 25 micromoles synthetic chelate with 4-morpholineethanesulfonic acid (C6H13N4S) (MES at 5 mM C) pH buffer; (iii) HA at 1 mM C without synthetic chelate or buffer; and (iv) no synthetic chelate or buffer. Ample inorganic Fe (35 micromoles Fe3+) was supplied in all treatments. There was no statistically significant difference in total biomass or seed yield among treatments, but HA was effective at ameliorating the leaf interveinal chlorosis that occurred during early growth of the nonchelated treatment. Leaf-tissue Cu and Zn concentrations were lower in the HEDTA treatment relative to no chelate (NC), indicating HEDTA strongly complexed these nutrients, thus reducing their free ion activities and hence, bioavailability. Humic acid did not complex Zn as strongly and chemical equilibrium modeling supported these results. Titration tests indicated that HA was not an effective pH buffer at 1 mM C, and higher levels resulted in HA-Ca and HA-Mg flocculation in the nutrient solution.

Non-NASA Center↗

NASA NTRS1995

Electrochromatographic separation of proteins

We have developed a modified electrochromatography system which minimizes Joule heating at electric field strengths up to 125 V/cm. A non-linear equilibrium model is described which incorporates electrophoretic mobility, hydrodynamic flow velocity, and an electrically induced concentration polarization at the surface of the stationary phase. This model is able to provide useful estimates of protein retention time and velocity in a column packed with Sephadex gel and subjected to an electric field. A correlation of electrophoretic mobility of peptide and proteins with respect to their charge, molecular mass, and asymmetry enables the selection of solute target molecules for electrochromatographic separations. Good separation of protein mixtures have been obtained.

NASA Discipline Life Support Systems↗

NASA NTRS2005

Competitive Oxidation and Hydration During Aqueous Alteration of Asteroids

Introduction: Studies of chondrites show that incorporation of H2O ice during formation of asteroids followed by radioactive heating caused partial oxidation and hydration of primary reduced and anhydrous rocks. Oxidation of kamacite, phosphides, troilite and organic polymers occurred through consumption of water s oxygen and release of H2. Hydration caused formation of serpentine, saponite, chlorite, talc and hydrated salts. Since H2O was the major reactant in oxidation and hydration, these processes could have been competitive. Redox reactions in asteroids should have been closely connected to hydration (dehydration) during aqueous alteration and thermal metamorphism. For example, dehydration and reduction release H2O that can be consumed in oxidation and hydration, respectively. We model asteroidal processes in order to quantify the fate of H2O and water s oxygen in major redox and hydration/dehydration reactions. Model: Equilibrium compositions in the gas-solid-liquid

Zolotov, M. Y.↗

NASA NTRS2006

The Strings of Eta Carina: The HST/STIS Spectra and [Ca II]

Long linear, filamentary ejecta, are found to move at very high velocity external to the Homunculus, the circumstellar hourglass-shaped ejecta surrounding Eta Carinae. The origin of the strings is a puzzle. As an example, the Weigelt Blobs have N at 10X solar and C, O at 0.01X solar abundance, along with He/H significantly enhanced. This abundance pattern is evidence for extreme CNO-processing. Similarly, the Strontium Filament has Ti/Ni at 100X solar, presumably due to the lack of oxygen to form Ti-oxide precipitates onto dust grains. We have obtained 2-D spectra with the HST/STIS of the Strontium Filament and a portion of a string. These deep spectral exposures, at moderate dispersion, span much of the near red spectral region from 5000 to 9000A. We have identified twelve emission lines in these spectra with proper velocities and spatial structure of this string and obtained line ratios for [Ca II] (7293/7325A) and [Fe Ill (7157/8619A) which are useful for determining physical conditions in this nebulosity. In an attempt to use the [Ca II] ratio to determine the physical parameters, and ultimately the abundances in the strings, we have constructed a statistical equilibrium model for Ca II , including radiative and collisional rates. These results incorporate our newly calculated atomic data for levels n = 3,4,5 and 6 configurations of Ca II. The aim is to compute the [Ca II] line ratios and use them as a diagnostic of the physical parameters. Using the [Fe II] ratio we find that for Te=10,000 K, the electron density is Ne approx.10(exp 6)/cu cm. We plan to use the [Ca II] ratio to confirm this result. Then, we will extend the use of this multilevel model Ca II atom to study the physical conditions of the Strontium filament where eight lines of Ca II, both allowed and forbidden, had been identified. With the physical conditions determined, we will be able to derive reliable estimates for the gas phase abundances in the strings.

Melendez, M. B.↗

NASA NTRS2006

Determination of the Cosmic Distance Scale from Sunyaev-Zel'dovich Effect and Chandra X-ray Measurements of High Redshift Galaxy Clusters

We determine the distance to 38 clusters of galaxies in the redshift range 0.14 less than or equal to z less than or equal to 0.89 using X-ray data from Chandra and Sunyaev-Zeldovich Effect data from the Owens Valley Radio Observatory and the Berkeley-Illinois-Maryland Association interferometric arrays. The cluster plasma and dark matter distributions are analyzed using a hydrostatic equilibrium model that accounts for radial variations in density, temperature and abundance, and, the statistical and systematic errors of this method are quantified. The analysis is performed via a Markov chain Monte Carlo technique that provides simultaneous estimation of all model parameters. W

Bonamente, Massimiliano↗

NASA NTRS1996

Galactic Abundance Gradients fro IR Fine Strucuture LInes in Compact H II regions

We present observations of the [S III]19(micro)m, [O III]52 and 88(micro)m, and [N III]57(micro)m lines toward 18 compact and ultracompact (UC) H II regions. These data were combined with data from the literature and high-resolution radio continuum maps to construct detailed statistical equilibrium and ionization equilibrium models of 34 compact H II regions located at galactocentric distances (Dg)0-12kpc. Our models simultaneously fit the observed IR fine-structure lines and high-resolution radio continuum maps.

galactic elements chemical evolution galaxy format↗

NASA NTRS2010

High C/O Chemistry and Weak Thermal Inversion in the Extremely Irradiated Atmosphere of Exoplanet WASP-12b

The carbon-to-oxygen ratio (C/O) in a planet provides critical information about its primordial origins and subsequent evolution. A primordial C/O greater than 0.8 causes a carbide-dominated interior as opposed to the silicate-dominated composition as found on Earth; the solar C/O is 0.54. Theory, shows that high C/O leads to a diversity of carbon-rich planets that can have very different interiors and atmospheres from those in the solar system. Here we report the detection of C/O greater than or equal to 1 in a planetary atmosphere. The transiting hot Jupiter WASP-12b has a dayside atmosphere depleted in water vapour and enhanced in methane by over two orders of magnitude compared to a solar-abundance chemical equilibrium model at the expected temperatures. The observed concentrations of the prominent molecules CO, CH4, and H2O are consistent with theoretical expectations for an atmosphere with the observed C/O = 1. The C/O ratios are not known for giant planets in the solar system, although they are expected to equal the solar value. If high C/O ratios are common, then extrasolar planets are likely very different in interior composition, and formed very differently, from expectations based on solar composition, potentially explaining the large diversity in observed radii. We also find that the extremely irradiated atmosphere (greater than 2500 K) of WASP-12b lacks a prominent thermal inversion, or a stratosphere, and has very efficient day-night energy circulation. The absence of a strong thermal inversion is in stark contrast to theoretical predictions for the most highly irradiated hot-Jupiter atmospheres.

Madhusudhan, Nikku↗

NASA NTRS2015

Thermochemistry of Silicates

The thermodynamic properties of vapor and condensed phases of silicates are crucial in many fields of science. These quantities address fundamental questions on the formation, stability, transformation, and physical properties of silicate minerals and silicate coating compositions. Here the thermodynamic activities of silica and other species in solid solution have been measured by the analysis of the corresponding high temperature vapors using Knudsen Effusion Mass Spectrometry (KEMS). In first set of experiments KEMS has been used to examine the volatility sequence of species (Fe, SiO, Mg, O2 and O) present in the vapor phase during heating of fosterite-rich olivine (Fo93Fa7) up to 2400 C and to measure the Fe, SiO and Mg activities in its solid solution. The data of fosterite-rich olivine are essential for thermochemical equilibrium models to predict the atmospheric and surface composition of hot, rocky exoplanets (Lava Planets). In the second set of experiments the measured thermodynamic activities of the silica in Y2O3-SiO2 and Yb2O3-SiO2 systems are used to assess their reactivity and degradation recession as environmental barrier coatings (EBCs) in combustion environments (e.g. non-moveable parts of gas turbine engine).

Silicates↗

NASA NTRS2014

Seasonal Evolution of Saturn's Polar Temperatures and Composition

The seasonal evolution of Saturn's polar atmospheric temperatures and hydrocarbon composition is derived from a decade of Cassini Composite Infrared Spectrometer (CIRS) 7-16 micrometers thermal infrared spectroscopy. We construct a near-continuous record of atmospheric variability poleward of 60 deg from northern winter/southern summer (2004, Ls = 293 deg) through the equinox (2009, Ls= 0 deg) to northern spring/southern autumn (2014, Ls = 56 deg). The hot tropospheric polar cyclones that are entrained by pro-grade jets within 2-3 deg of each pole, and the hexagonal shape of the north polar belt, are both persistent features throughout the decade of observations. The hexagon vertices rotated westward by approx. equal to 30 deg longitude between March 2007 and April 2013, confirming that they are not stationary in the Voyager-defined System III longitude system as previously thought. Tropospheric temperature contrasts between the cool polar zones (near 80-85 deg) and warm polar belts (near 75-80 deg) have varied in both hemispheres, resulting in changes to the vertical wind shear on the zonal jets in the upper troposphere and lower stratosphere. The extended region of south polar stratospheric emission has cooled dramatically poleward of the sharp temperature gradient near 75 deg S (by approximately -5 K/yr), coinciding with a depletion in the abundances of acetylene (0030 +/- 0.005 ppm/yr) and ethane (0.35 +/- 0.1 ppm/yr), and suggestive of stratospheric upwelling with vertical wind speeds of w approx. equal to +0.1 mm/s. The upwelling appears most intense within 5 deg latitude of the south pole. This is mirrored by a general warming of the northern polar stratosphere (+5 K/yr) and an enhancement in acetylene (0.030 +/- 0.003 ppm/yr) and ethane (0.45 +/- 0.1 ppm/yr) abundances that appears to be most intense poleward of 75 deg N, suggesting subsidence at w approx. equal to -0.15 mm/ s. However, the sharp gradient in stratospheric emission expected to form near 75 deg N by northern summer solstice (2017, Ls = 90 deg) has not yet been observed, so we continue to await the development of a northern summer stratospheric vortex. The peak stratospheric warming in the north occurs at lower pressure levels (p less than 1 mbar) than the peak stratospheric cooling in the south (p greater than 1 mbar). Vertical motions are derived from both the temperature field (using the measured rates of temperature change and the deviations from the expectations of radiative equilibrium models) and hydrocarbon distributions (solving the continuity equation). Vertical velocities tend towards zero in the upper troposphere where seasonal temperature contrasts are smaller, except within the tropospheric polar cyclones where w approx. equal to +0.02 mm/s. North polar minima in tropospheric and stratospheric temperatures were detected in 2008-2010 (lagging one season, or 6-8 years, behind winter solstice); south polar maxima appear to have occurred before the start of the Cassini observations (1-2 years after summer solstice), consistent with the expectations of radiative climate models. The influence of dynamics implies that the coldest winter temperatures occur in the 75-80 deg region in the stratosphere, and in the cool polar zones in the troposphere, rather than at the poles themselves. In addition to vertical motions, we propose that the UV-absorbent polar stratospheric aerosols entrained within Saturn's vortices contribute significantly to the radiative budget at the poles, adding to the localized enhancement in the south polar cooling and north polar warming poleward of +/-75 deg.

polar temperatures↗

NASA NTRS2018

High-resolution SOFIA/EXES Spectroscopy of SO2 Gas in the Massive Young Stellar Object MonR2 IRS3: Implications for the Sulfur Budget

Sulfur has been observed to be severely depleted in dense clouds leading to uncertainty in the molecules that contain it and the chemistry behind their evolution. Here, we aim to shed light on the sulfur chemistry in young stellar objects (YSOs) by using high-resolution infrared spectroscopy of absorption by the ν3 rovibrational band of SO2 obtained with the Echelon-Cross-Echelle Spectrograph on the Stratospheric Observatory for Infrared Astronomy. Using local thermodynamic equilibrium models we derive physical parameters for the SO2 gas in the massive YSO MonR2 IRS3. This yields a SO2/H abundance lower limit of 5.6 ± 0.5 × 10(exp -7), or >4% of the cosmic sulfur budget, and an intrinsic line width (Doppler parameter) of b < 3.20 km s(exp -1). The small line widths and high temperature (Tex = 234 ± 15 K) locate the gas in a relatively quiescent region near the YSO, presumably in the hot core where ices have evaporated. This sublimation unlocks a volatile sulfur reservoir (e.g., sulfur allotropes as detected abundantly in comet 67P/Churyumov–Gerasimenko), which is followed by SO2 formation by warm, dense gas-phase chemistry. The narrowness of the lines makes formation of SO2 from sulfur sputtered off grains in shocks less likely toward MonR2 IRS3.

Infrared ISM↗

NASA NTRS2019

Diamondites: Evidence for a Distinct Tectono-Thermal Diamond-Forming Event Beneath the Kaapvaal Craton

The petrogenesis and relationship of diamondite to well-studied monocrystalline and fibrous diamonds are poorly understood yet would potentially reveal new aspects of how diamond-forming fluids are transported through the lithosphere and equilibrate with surrounding silicates. Of twenty-two silicate- and oxide-bearing diamondites investigated, most yielded garnet intergrowths (n = 15) with major element geochemistry (i.e. Ca-Cr) classifying these samples as low-Ca websteritic or eclogitic. The garnet REE patterns fit an equilibrium model suggesting the diamond-forming fluid shares an affinity with high-density fluids (HDF) observed in fibrous diamonds, specifically on the join between the saline–carbonate end- members. The δ13C values for the diamonds range from -5.27 to -22.48 ‰ (V-PDB) with δ18O values for websteritic garnets ranging from +7.6 to +5.9 ‰ (V-SMOW). The combined C-O stable isotope data support a model for a hydrothermally altered and organic carbon-bearing subducted crustal source(s) for the diamond- and garnet-forming media. The nitrogen aggregation states of the diamonds require that diamondite-formation event(s) pre-dates fibrous diamond-formation and post-dates most of the gem monocrystalline diamond-formation events at Orapa. The modelled fluid compositions responsible for the precipitation of diamondites match the fluid-poor and fluid-rich (fibrous) monocrystalline diamonds, where all grow from HDFs within the saline-silicic-carbonatitic ternary system. However, while the nature of the parental fluid(s) share a common lithophile element geochemical affinity, the origin(s) of the saline, silicic, and/or carbonatitic components of these HDFs do not always share a common origin. Therefore, it is wholly conceivable that the diamondites are evidence of a distinct and temporally unconstrained tectono-thermal diamond-forming event beneath the Kaapvaal craton.

S Mikhail↗

NASA NTRS2020

LGGUN User's Manual

LGGUN is a quasi-one-dimensional Godunov code1 which is second order accurate in time and third order accurate in space, uses realistic equations of state for all media, includes wall friction and heat transfer for all gas and dense media zones and includes a simple non-equilibrium model for gas phase turbulence. This manual details the theory and operation of the code.

Ballistic Range↗

NASA NTRS2020

H- and Dissociation in Ultra-hot Jupiters: A Retrieval Case Study of WASP-18b

Atmospheres of a number of ultra-hot Jupiters (UHJs) with temperatures gsim2000 K have been observed recently. Many of these planets show largely featureless thermal spectra in the near-infrared observed with the HST WFC3 spectrograph (1.1–1.7 μm) even though this spectral range contains strong H2O opacity. Recent works have proposed the possibility of H- opacity masking the H2O feature and/or thermal dissociation of H2O causing its apparent depletion at the high temperatures of UHJs. In this work, we test these hypotheses using observations of the exoplanet WASP-18b as a case study. We report detailed atmospheric retrievals of the planet using the HyDRA retrieval code, extended to include the effects of H- opacity and thermal dissociation. We report constraints on the H2O, CO, and H- abundances as well as the pressure–temperature profile of the dayside atmosphere for retrievals with and without H-/dissociation for each data set. We find that the H2O and H- abundances are relatively unconstrained given the featureless WFC3 spectra. We do not conclusively detect H- in the planet, contrary to previous studies that used equilibrium models to infer its presence. The constraint on the CO abundance depends on the combination of WFC3 and Spitzer data, ranging from solar to super-solar CO values. We additionally see signs of a thermal inversion from two of the data sets. Our study demonstrates the potential of atmospheric retrievals of UHJs, including the effects of H- and thermal dissociation of molecules.

Siddharth Gandhi↗

NASA NTRSDate not supplied

Wall-modeled LES of Turbulent Flow Over a Two-dimensional Gaussian Bump

We perform wall-modeled large eddy simulations (WMLES) of turbulent flow over a nominally two-dimensional Gaussian-shaped bump geometry to assess its performance in the accelerating and separation regions of the flow. The flow conditions are based on high-fidelity numerical simulation of Uzun & Malik (AIAA Journal 2022). The oncoming flow Mach number is 0.2, with the bump length-based Reynolds number (ReL) of 2 million. In our previous study, while WMLES with the constant coefficient Vreman subgrid scale model and equilibrium wall model performed satisfactorily at lower ReL = 1 million, it failed to predict flow separation at the higher Re, contrary to the experimental observations. We investigate the sensitivity of WMLES to different subgrid scale models, wall models, and grid resolution and topology on flow separation by comparing with available data.

Computational Fluid Dynamics↗

NASA NTRSDate not supplied

Assessment of Pioneer Venus Entry Heating with Coupled Radiation and Ablation

The objective of this work is to reconstruct thermocouple temperature measurements taken at the stagnation point of the Pioneer Venus large probe using uncoupled and coupled ablation calculations. The time history of the large probe forebody entry heating was obtained from a trajectory-based analysis that employed a material response solver to model equilibrium and nonequilibrium ablation chemistry at the surface. In the uncoupled approach, equilibrium ablation chemistry was assumed in the material response calculations, but the material response outputs were not returned to the flowfield solver. Therefore, the effects of char and pyrolysis gas injection into the boundary layer due to ablation (e.g., convective blockage and radiative energy absorption) did not influence the flowfield solutions. In the coupled approach, nonequilibrium ablation chemistry was performed and the material response outputs were returned to the flowfield solver. Therefore, the effects of char and pyrolysis gas injection into the boundary layer were accounted for in the flowfield solutions. Both uncoupled and coupled approaches produced reconstructed temperatures that were within 10% of the flight measurements through the entry heat pulse, with the coupled results comparing more favorably with the measurements. Overall, the reconstructed thermocouple temperatures in this work significantly improved on the results of previous reconstructions for the large probe.

Jannuel V V Cabrera↗

DOE OSTI2023

Systems and methods for generating a graded lattice structure and their application to additive manufacturing

Systems and methods for generating graded lattice structures that can be used as infill for additively manufactured articles. Tailored sectioning and field-based smoothing are modified polygon, e.g., circle, packing algorithms that adjust the size of the circles based on physical field data to adapt the infill generation process to a field expected to be experienced by the article. Molecular dynamically generated lattice infill is based on force balancing a node distribution instead of a circle packing. Field data can be utilized to adjust the spacing of the node distribution according to a force balance equilibrium model that accounts for the field expected to be experienced by the article being additively manufactured. The resultant non-uniform honeycomb structures from tailored sectioning, field-based smoothing, and force-balancing robustly and efficiently address the connection issues with traditional non-uniform lattice structures.

Kim, Seokpum↗

DOE OSTI2023

Systems and methods for generating a molecular dynamic graded lattice structure and their application to additive manufacturing

Systems and methods for generating molecular dynamic graded lattice structures that can be used as infill for additively manufactured articles. Molecular dynamically generated lattice infill is based on force balancing a node distribution instead of a circle packing. Field data can be utilized to adjust the spacing of the node distribution according to a force balance equilibrium model that accounts for the field expected to be experienced by the article being additively manufactured. The resultant non-uniform honeycomb structures from force-balancing robustly and efficiently address the connection issues with traditional non-uniform lattice structures.

Kim, Seokpum↗