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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

JWST Reveals CO Ice, Concentrated CO 2 Deposits, and Evidence for Carbonates Potentially Sourced From Ariel’s Interior

The Uranian moon Ariel exhibits a diversity of geologically young landforms, with a surface composition rich in CO 2 ice. The origin of CO 2 and other species, however, remains uncertain. We report observations of Ariel’s leading and trailing hemispheres, collected with NIRSpec (2.87–5.10 μm) on the James Webb Space Telescope. These data shed new light on Arielʼs spectral properties, revealing a double-lobed CO 2 ice scattering peak centered near 4.20 and 4.25 μm, with the 4.25 μm lobe possibly representing the largest CO 2 Fresnel peak yet observed in the solar system. A prominent 4.38 μm 13 CO 2 ice feature is also present, as is a 4.90 μm band that results from 12 CO 2 ice. The spectra reveal a 4.67 μm 12 CO ice band and a broad 4.02 μm band that might result from carbonate minerals. The data confirm that features associated with CO 2 and CO are notably stronger on Ariel’s trailing hemisphere compared to its leading hemisphere. We compared the detected CO 2 features to synthetic spectra of CO 2 ice and mixtures of CO 2 with CO, H 2 O, and amorphous carbon, finding that CO 2 could be concentrated in deposits thicker than ∼10 mm on Ariel’s trailing hemisphere. Comparison to laboratory data indicates that CO is likely mixed with CO 2 . The evidence for thick CO 2 ice deposits and the possible presence of carbonates on both hemispheres suggests that some carbon oxides could be sourced from Ariel’s interior, with their surface distributions modified by charged particle bombardment, sublimation, and seasonal migration of CO and CO 2 from high to low latitudes.

Uranian satellites↗
NASA NTRS1991

An ab initio study of Fe(CO)n, n = 1,5, and Cr(CO)6

Ab initio calculations have been performed for Cr(CO)6 and Fe(CO)n, n = 1,5. Basis sets of better than double zeta quality are used, and correlation is included using the modified coupler-pair functional method. The computed geometries and force constants are in reasonable agreement with experiment. The sequential bond dissociation energies of CO from Fe(CO)5 are estimated to be: 39, 31, 25, 22, and greater than 5 kcal/mol. It is noted that the first bond dissociation energy is relative to the singlet ground state of Fe(CO)5 and the lowest singlet state of Fe(CO)4, whereas the second is relative to the ground triplet states of Fe(CO)4 and Fe(CO)3. In addition, the binding energy for Fe-CO would be modified to 18 kcal/mol if dissociation occurred to the Fe(5F) excited state asymptote. The CO binding energies for Fe and Cr are found to be in poorer agreement with experiment than those found in a previous study on Ni(CO)4. The origins of this difference are discussed.

Barnes, Leslie A.↗
NASA NTRS1992

The structure and energetics of Cr(CO)6 and Cr(CO)5

The geometric structure of Cr(CO)6 is optimized at the modified coupled pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD, and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD, and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used. Calculations using larger basis sets reduce the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. In the largest basis set, the total CO binding energy of Cr(CO)6 is estimated to be 140 kcal/mol at the CCSD(T) level of theory, or about 86 percent of the experimental value. The remaining discrepancy between the experimental and theoretical value is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive set (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗
NASA NTRS1990

The CO-12 and CO-13 J=2-1 and J=1-0 observations of hot and cold galaxies

Researchers observed the nuclear regions of the galaxies NGC 2146 and IC 342 in CO-12 and CO-13 J=1-0 and J=2-1 lines using the Five College Radio Astronomy Observatory (FCRAO) 14m telescope. NGC 2146 is a peculiar Sab spiral galaxy. Its complex optical morphology and strong nuclear radio continuum emission suggest that it is experiencing a phase of violent activity and could have a polar ring which may have resulted from an interaction. IC 342 is a nearby luminous Scd spiral galaxy. Strong CO, infrared and radio continuum emission from the nuclear region of IC 342 indicate enhanced star-forming activity, and interferometric CO-12 J=1-0 observations reveal a bar-like structure centered on the nucleus, along the dark lane in the NS direction. These two galaxies are selected based on their different dust temperatures and star formation efficiencies (SFE) as derived from the Infrared Astronomy Satellite (IRAS) S sub 60 mu/S sub 100 mu flux density ratio and L sub IR/M(H2), respectively, with a relatively high SFE and dust temperature of 45 K in NGC 2146 and a relatively low SFE and dust temperature of 35 K in IC 342. The data from the different CO-12 and CO-13 lines are used to study the physical conditions in the molecular clouds in the galaxies. Researchers also consider the radiative transfer to determine whether a warm and optically thin gas component exists in these galaxies, as has been suggested in the case of M82 (Knapp et al. 1980), and whether the warm gas is related to the dust properties. Since optically thin CO-12 gas is rarely detected in our own Galaxy (except in outflow sources), to confirm its existence in external galaxies is very important in understanding the molecular content of external galaxies and its relationship to star formation activity. The present CO-12 J=2-1 and CO-13 J=2-1 and J=1-0 data for NGC 2146 are the first detections of this galaxy to our knowledge. The CO-12 J=1-0 distribution in NGC 2146 has been measured as part of the FCRAO Extragalactic Survey. For the well-studied IC 342, the data are compared with 30m observations and other available data. Researchers present the observed results.

Xie, Shuding↗
NASA NTRS1978

Low energy ionizing collisions between N2 and CO beam molecules and CO, N2, NO, CH4, and CO2 target molecules

Absolute total negative charge production cross sections for N2 + CO, CO + N2, CO + CO, N2 + NO, N2 + CH4, and N2 + CO2 collisions are reported, and a simple model of collisions is discussed. The cross sections were measured to within about 1 eV of their thresholds. Specific reaction channels were investigated by referring to mass spectrometric identification of the product ions scattered in the forward direction, and these product ion identifications were used to explain characteristic structures in the total charge production cross sections in the near-threshold regions. The extent of the importance of dissociative ionization and 'simple' ionization in the studied collisions at low energy is considered, and charge transfer cross sections for (CO)+ + CO, CO(+) + CH4, and N2(+) + CH4 are presented.

Utterback, N. G.↗
NASA NTRS1984

The metal-carbonyl bond in Ni(CO)4 and Fe(CO)5 - A clear-cut analysis

A detailed analysis of the metal-carbonyl bonding in Ni(CO)4 and Fe(CO)5, based on the newly developed contained space orbital variation (CSOV) method, is carried out to investigate various contributing factors to the interaction. Three aspects about the metal-CO interaction are presented: (1) the frozen orbital repulsion between the metal 4s and the CO is large; (2) the metal to CO pi donation is energetically much more important than the CO to the metal sigma donation; and (3) the metal 4s and 4p orbitals make a very small contribution (smaller than 0.4 eV) to the interaction energy; the largest portion of this contribution arises from the CO to metal sigma donation.

Bauschlicher, C. W., Jr.↗
NASA NTRS1994

A comparison of CO(J = 1 yields 0) and CO(J = 2 yields 1) emission in the Milky Way molecular ring

We have carried out a CO (J = 2 right arrow 1) survey of the Scutum Arm region of the Milky Way molecular ring. Our goals are to compare CO (J = 2 right arrow 1) maps of individual Galactic clouds with the large-scale CO (J = 2 right arrow 1) emission from the Galactic plane, and to predict the CO (J = 2 right arrow 1) appearance of a Galactic cloud ensemble in an external galaxy. The angular resolution and spatial coverage of our survey are compatible with the existing CO (J = 1 right arrow 0) survey of this region by Sanders et al., which we use for comparison. We identify 34 molecular clouds in our map region; their relationships between size and line width and between virial mass and luminosity are consistent with the relationships seen in CO (J = 1 right arrow 0) emission. However, we note that previous studies have shown considerable variation in these relationships; we attribute much of this variation to differences in their cloud definition algorithm and statistical method. We find that the median ratio of integrated emission in the two lowest CO transitions for the clouds in our sample is I(2 right arrow 1)/ I(1 right arrow 0) = 0.69, implying that the typical emitting region in the line of sight contains cold gas that is not actively star-forming. Our conclusion that the molecular ring emission is not dominated by star-forming regions is consistent with other large-scale studies of the Milky Way. Our distributions of cloud size and temperature also imply that relatively massive molecular clouds that lac k star formation, such as Maddalena's cloud, are not rare in the inner Galaxy.

Chiar, Jean E.↗
NASA NTRS2022

Source Decomposition of Eddy-Covariance CO 2 Flux Measurements for Evaluating a High-Resolution Urban CO 2 Emissions Inventory

We present the comparison of source-partitioned CO2 flux measurements with a high-resolution urban CO 2 emissions inventory (Hestia). Tower-based measurements of CO and 14 C are used to partition net CO 2 flux measurements into fossil and biogenic components. A flux footprint model is used to quantify spatial variation in flux measurements. We compare the daily cycle and spatial structure of Hestia and eddy-covariance derived fossil fuel CO 2 emissions on a seasonal basis. Hestia inventory emissions exceed the eddy-covariance measured emissions by 0.36 µ mol m −2 s −1 (3.2%) in the cold season and 0.62 µ mol m −2 s −1 (9.1%) in the warm season. The daily cycle of fluxes in both products matches closely, with correlations in the hourly mean fluxes of 0.86 (cold season) and 0.93 (warm season). The spatially averaged fluxes also agree in each season and a persistent spatial pattern in the differences during both seasons that may suggest a bias related to residential heating emissions. In addition, in the cold season, the magnitudes of average daytime biological uptake and nighttime respiration at this flux site are approximately 15% and 27% of the mean fossil fuel CO 2 emissions over the same time period, contradicting common assumptions of no significant biological CO 2 exchange in northern cities during winter. This work demonstrates the effectiveness of using trace gas ratios to adapt eddy-covariance flux measurements in urban environments for disaggregating anthropogenic CO 2 emissions and urban ecosystem fluxes at high spatial and temporal resolution.

eddy-covariance flux measurements↗
NASA NTRS2015

Interannual Variability and Trends of CH4, CO and OH Using the Computationally-Efficient CH4-CO-OH (ECCOH) Module

Methane (CH4) is the second most important anthropogenic greenhouse gas (GHG). Its 100-year global warming potential (GWP) is 34 times larger than that for carbon dioxide. The 100-year integrated GWPof CH4 is sensitive to changes in hydroxyl radical (OH) levels.Oxidation of CH4 and carbon monoxide (CO) by OH is the main loss process, thus affecting the oxidizing capacity of the atmosphere and contributing to the global ozone background. Limitations of using archived, monthly OH fields for studies of methane's and COs evolution are that feedbacks of the CH4-CO-OH system on methane, CO and OH are not captured. In this study, we employ the computationally Efficient CH4-CO-OH (ECCOH) module (Elshorbany et al., 2015) to investigate the nonlinear feedbacks of the CH4-CO-OH system on the interannual variability and trends of the CH4, CO, OH system.

Methane↗
NASA NTRS2021

An Unbiased CO Survey toward the Northern Region of the Small Magellanic Cloud with the Atacama Compact Array. I. Overview: CO Cloud Distributions

We have analyzed the data from a large-scale CO survey toward the northern region of the Small Magellanic Cloud (SMC) obtained with the Atacama Compact Array (ACA) stand-alone mode of ALMA. The primary aim of this study is to comprehensively understand the behavior of CO as an H2 tracer in a low-metallicity environment (Z ∼ 0.2 Zꙩ). The total number of mosaic fields is ∼8000, which results in a field coverage of 0.26 sq.deg (∼2.9 ×10^(5) sq.pc), corresponding to ∼10% of the area of the galaxy. The sensitive ∼2 pc resolution observations reveal the detailed structure of the molecular clouds previously detected in the single-dish NANTEN survey. We have detected a number of compact CO clouds within lower H2 column density (∼10^(20) per sq.cm) regions whose angular scale is similar to the ACA beam size. Most of the clouds in this survey also show peak brightness temperature as low as <1 K, which for optically thick CO emission implies an emission size much smaller than the beam size, leading to beam dilution. The comparison between an available estimation of the total molecular material traced by thermal dust emission and the present CO survey demonstrates that more than ∼90% of H(2) gas cannot be traced by the low-J CO emission. Our processed data cubes and 2D images are publicly available.

Kazuki Tokuda↗
NASA NTRS2023

An Unbiased CO Survey Toward the Northern Region of the Small Magellanic Cloud with the Atacama Compact Array. II. CO Cloud Catalog

The nature of molecular clouds and their statistical behavior in subsolar metallicity environments are not fully explored yet. We analyzed data from an unbiased CO (J = 2–1) survey at the spatial resolution of ∼2 pc in the northern region of the Small Magellanic Cloud with the Atacama Compact Array to characterize the CO cloud properties. A cloud-decomposition analysis identified 426 spatially/velocity-independent CO clouds and their substructures. Based on the cross-matching with known infrared catalogs by Spitzer and Herschel, more than 90% CO clouds show spatial correlations with point sources. We investigated the basic properties of the CO clouds and found that the radius–velocity linewidth (R–σ v ) relation follows the Milky Way-like power-law exponent, but the intercept is ∼1.5 times lower than that in the Milky Way. The mass functions (dN/dM) of the CO luminosity and virial mass are characterized by an exponent of ∼1.7, which is consistent with previously reported values in the Large Magellanic Cloud and in the Milky Way.

Local Group↗
NASA NTRS1975

Vibrational energy exchange in CO-CO collisions at low temperature

The V-V exchange rates for CO in the ground electronic state have been measured at a temperature of 75 K. The rates determined were for the processes CO(nu = n) + CO(nu = 0) yields CO(nu = n - 1) + CO(nu = 1) - increment E, with n lying in the closed interval from 2 to 8. The values obtained are close to published 100 K data, thus indicating an insensitivity to temperature. It appears that multirotational quantum jumps may be important in explaining the measured rates.

Gower, M. C.↗
NASA NTRS1980

Hot corrosion of Co-Cr, Co-Cr-Al, and Ni-Cr alloys in the temperature range of 700-750 deg C

The effect of SO3 pressure in the gas phase on the Na2SO4 induced hot corrosion of Co-Cr, Ni-Cr, and Co-Cr-Al alloys was studied in the temperature range 700 to 750 C. The degradation of the Co-Cr and Ni-Cr alloys was found to be associated with the formation of liquid mixed sulfates (CoSO4-Na2SO4 or NiSO4-Na2SO4) which provided a selective dissolution of the Co or Ni and a subsequent sulfidation oxidation mode of attack which prevented the maintenance of a protective Cr2O3 film. A clear mechanism was not developed for the degradation of Co-Cr-Al alloys. A pitting corrosion morphology was induced by a number of different mechanisms.

Chiang, K. T.↗
NASA NTRS1985

CO adsorption on (111) and (100) surfaces of the Pt sub 3 Ti alloy. Evidence for parallel binding and strong activation of CO

The CO adsorption on a 40 atom cluster model of the (111) surface and a 36 atom cluster model of the (100) surface of the Pt3Ti alloy was studied. Parallel binding to high coordinate sites associated with Ti and low CO bond scission barriers are predicted for both surfaces. The binding of CO to Pt sites occurs in an upright orientation. These orientations are a consequence of the nature of the CO pi donation interactions with the surface. On the Ti sites the orbitals donate to the nearly empty Ti 3d band and the antibonding counterpart orbitals are empty. On the Pt sites, however, they are in the filled Pt 5d region of the alloy band, which causes CO to bond in a vertical orientation by 5 delta donation from the carbon end.

Mehandru, S. P.↗
NASA NTRS1985

Diurnal CO variations in the Venus mesosphere from CO microwave spectra

Microwave spectra of CO in the Venus mesosphere were measured and analyzed in order to provide mixing profiles. The results indicate that there is a significant dependence of the observed spectra on the phase of Venus. This dependence is tied to a diurnal variation in the vertical profile of CO mixing ratios with the local solar zenith angle. Spectra of the nightside hemisphere are characterized by very little absorption in the wings of the spectra, yet very deep absorption in the line center. Dayside spectra exhibit considerably greater absorption in the line wings and less absorption in the line center. Solutions for the CO mixing profile derived from spectra show that the nightside atmosphere contains two to four times the CO abundance above about 95 km relative to the dayside atmosphere above 95 km. Conversely, the dayside atmosphere between 80 and 90 km shows two to four times the CO abundance for the same altitude region in the nightside atmosphere.

Clancy, R. T.↗
NASA NTRS1988

Studies of CW lasing action in CO2-CO, N2O-CO, CO2-H2O, and N2O-H2O mixtures pumped by blackbody radiation

A proof of principle experiment to evaluate the efficacy of CO and H2O in increasing the power output for N2O and CO2 lasing mixtures has been conducted and theoretically analyzed for a blackbody radiation-pumped laser. The results for N2O-CO, CO2-CO, N2O-H2O and CO2-H2O mixtures are presented. Additions of CO to the N2O lasant increased power up to 28 percent for N2O laser mixtures, whereas additions of CO to the CO2 lasant, and the addition of H2O to both the CO2 and N2O lasants, resulted in decreased output power.

Abel, Robert W.↗
NASA NTRS1992

High-resolution photoabsorption cross sections of E1Pi - X1Sigma(+) vibrational bands of CO-12 and CO-13

Photodissociation following absorption of extreme-ultraviolet photons is an important factor in determining the abundance and isotropic fractionation of CO in diffuse and translucent interstellar clouds. The principal channel for destruction of CO-13 in such clouds begins with absorption in the (1,0) vibrational band of the E1Pi - X1Sigma(+) system; similarly, absorption in the (0,0) band begins a significant destruction channel for CO-12. Reliable modeling of the CO fractionation process depends critically upon the accuracy of the photoabsorption cross section for these bands. We have measured the cross sections for the relevant isotropic species and for the (1,0) band of CO-12. Our results, which are uncertain by about 10 percent, are for the most part larger than previous measurements.

Stark, G.↗
NASA NTRS1993

Structure and energetics of Cr(CO)6 and Cr(CO)5

The geometric structures and energetics of Cr(CO)6 and Cr(CO)5 are determined at the modified coupled-pair functional, single and double excitation coupled-cluster (CCSD), and CCSD(T) levels of theory. For Cr(CO)6, the structure and force constants for the totally symmetric representation are in good agreement with experimental data once basis set constants are taken into account. In the largest basis set at the CCSD(T) level of theory, the total binding energy of CR(CO)6 is estimated at around 140 kcal/mol, or about 86 percent of the experimental value. In contrast, the first bond energy of Cr(CO)6 is very well described at the CCSD(T) level of theory, with the best estimated value of 38 kcal/mol being within the experimental uncertainty.

Barnes, Leslie A.↗