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NASA NTRS2018

Retrieval of H2O Abundance in Titan's Stratosphere: A (Re)Analysis of CIRS/Cassini and PACS/Herschel Observations

Since its first measurement 20 years ago by the Infrared Space Observatory (ISO), the water (H2O) mole fraction in Titan’s stratosphere remains uncertain due to large differences between the determinations from available measurements. More particularly, the recent measurements made from the Herschel observatory (PACS (Photodetector Array Camera and Spectrometer) and HIFI (Heterodyne Instrument for the Far Infrared)) estimated the H2O mole fraction to be 0.023 parts per billion at 12.1 millibars. A mixing ratio of 0.14 parts per billion at 10.7 millibars was, however, retrieved from nadir spatially-resolved observations of Cassini/CIRS (Composite Infrared Spectrometer). At the same pressure level (10.7 millibars), this makes a difference of a factor of 5.5 between PACS and CIRS measurements, and this has notably prevented current models from fully constraining the oxygen flux flowing into Titan’s atmosphere. In this work, we try to understand the differences between the H2O mole fractions estimated from Herschel/PACS and Cassini/CIRS observations. The strategy for this is to 1) analyse recent disc-averaged observations of CIRS to investigate if the observation geometry could explain the previous observed differences, and 2) (re)analyse the three types of observation with the same retrieval scheme to assess if previous differences in retrieval codes/methodology could be responsible for the previous discrepancies. With this analysis, we show that using the same retrieval method better reconcile the previous measurements of these instruments. However, the addition of the disc-averaged CIRS observations, instead of confirming the consistency between the different datasets, reveals discrepancies between one of the CIRS disc-averaged set of observations and PACS measurements. This raises new questions regarding the possibility of latitudinal variations of H2O, which could be triggered by seasonal changes of the meridional circulation. As it has already been shown for nitriles and hydrocarbons, this circulation could potentially impact the latitudinal distribution of H2O through the subsidence or up- welling of air rich in H2O. The possible influence of spatial/time variations of the OH/H2O input flux in Titan’s atmosphere is also discussed. The analysis of more observations will be needed in future work to address the questions arising from this work and to improve the understanding of the sources of H2O in Titan’s atmosphere.

Bauduin, S.↗
NASA NTRS2022

The H2o Content of the Ureilite Parent Body

The fate of highly volatile elements (H, C, F, Cl and S) during planetary accretion and differentiation is debated. Recent analyses of water in non-carbonaceous chondrites (RC, OC, EC) and achondrites (angrites, eucrites) have been used to argue that inner solar system parent bodies accreted and retained their highly volatile element budgets from their primary feedstock without substantial loss during accretion, metamorphism and differentiation. An alternative model posits that differentiated inner solar system parent bodies (e.g., the angrite parent body, 4 Vesta, Earth) derived the majority of their water from a carbonaceous chondrite-like source, delivered during the final stages of accretion. In order to add new constraints to this debate, we have measured water in nominally anhydrous minerals, melt inclusions, and interstitial glass in ureilites, the largest group of primitive achondrites in the terrestrial meteorite collection. Primitive achondrites did not experience global melting and homogenization. Therefore, these meteorites capture part of the transition from chondritic to achondritic parent bodies, allowing us to constrain the fate of water during the earliest stages of differentiation. Our nano-scale secondary ion mass spectrometry (nanoSIMS) analyses allow us to assess the viability of ureilite-like material as a potential source of terrestrial water. Analyses of pigeonite in main group ureilites yield a range of 2.0 – 6.0 µg/g H2O, and analyses of high-Ca pyroxene and glass (glassy melt inclusions and interstitial glass) in the Almahata Sitta ureilitic trachyandesite yield ranges of 13 – 19 µg/g H2O and 44 – 216 µg/g H2O, respectively. Mass balance, incremental melting, and batch melting calculations yield a preferred ureilite parent body H2O content of 2 – 20 µg/g, similar to previous estimates of water in the eucrite parent body (4 Vesta), but lower than estimates of Earth’s water budget. With these data, we demonstrate that 1) the ureilite parent body is H2O-depleted relative to the Earth; 2) ureilite-like material is unlikely to be a primary source of H2O to the Earth; 3) C and H are not necessarily coupled elements during planetary accretion and thermal processing; and 4) accretion, heating, partial melting, and degassing of rocky planetesimals likely results in significant depletion of H2O.

Primitive achondrites↗
NASA NTRS1976

The structure of cometary ionospheres. I - H2O dominated comets

A hydrodynamic description of the density distributions of the ionic products of H2O and CO in the atmosphere of an H2O-dominated comet having 10% CO is given. Two models are discussed. In the first, the effecs of photodissociation, photoionization, and gas-phase reactions are considered. In the second, the effect of an internal ionization source is also included. It is found that while the observed morphology of the H2O(+) coma of Comet Kohoutek (1973f) cannot be explained by gas-phase reactions alone, it is consistent with the presence of a strong internal source of ionization, presumably an electric current flowing through the inner coma. In the latter case the number densities of H2O(+) and CO(+) remain more or less constant within the scale lengths against collisional dissociation by the electron flux of their neutrals. While the abundance ratio of CO(+) to H2O(+) remains considerably less than unity when the internal ionization source is neglected, it is significantly larger than unity when the internal ionization source is included. Consequently, even the so-called 'CO-rich' comets may in reality be H2O-dominated, provided a strong internal source of ionization is operative.

Ip, W.-H.↗
NASA NTRS1985

Far-infrared line intensities of H2O and CO from warm molecular clouds

Takahashi et al. (1983) have studied the role of H2O in the overall energetics of warm molecular clouds with large optical depths. It was found that in molecular clouds associated with nearby or embedded luminosity sources, the dust is likely to be warmer than the molecular gas. Thus, the warm dust represents the primary source of heat for the gas. In some cases, H2O was found to cool the gas. Takahashi et al. (1983) have presented the formalism for treating H2O in an optically thick molecular cloud with embedded sources of luminosity. The total H2O heating and cooling rates were also calculated. In the present investigation, the emergent intensities of far-infrared lines of H2O and excited, rotational CO transitions from relatively warm molecular clouds based on the large-velocity gradient model of the previous study are calculated. It is found that the dominant submillimeter CO transitions are related to emission, while the H2O transitions can be either absorption or emission lines.

Takahashi, T.↗
NASA NTRS1988

The condensation and vaporization behavior of H2O:CO ices and implications for interstellar grains and cometary activity

IR spectroscopy has been used to ascertain several parameters associated with CO, H2O, and H2O:CO ices' physical behavior. Since CO is noted to be capable of condensing into H2O-rich ices at temperatures that are twice as high as those required for condensation in pure CO, CO is able to condense onto H2O-rich ice grains at temperatures of up to 50 K. CO's presence in H2O ice modestly enhances the effective volatility of the H2O. Attention is given to the implications of these results for cometary models generally and the question of cometary formation specifically.

Sandford, Scott A.↗
NASA NTRS1993

H2O(+) production rates of Comets Austin 1990 V and P/Halley 1986 III

High-spectral-resolution scans of H2O(+) emissions from Austin 1990 V were obtained. A simple model of the ion distribution in the FOV is used to determine a lower limit phi(H2O+) to the H2O(+) ion flux away from the nucleus for each night of observations. A similar analysis is applied to previous observations of H2O(+) emissions from Comet P/Halley 1986 III. It is found that the mean ratio is phi(H2O+)/Q(H2O) is 1.2 x exp -3 for Halley (solar minimum) and 2.6 x 10 exp -3 for Austin (solar maximum).

Schultz, D.↗
NASA NTRS1995

Simutaneous adsorption of CO2 and H2O under Mars-like conditions and application to the evolution of the Martian climate

The Martian regolith is the most substantial volatile reservoir on the planet; estimates of its adsorbed inventory have been based on simple measurements of the adsorption of either water or CO2 in isolation. Under some conditions, H2O can poison adsorbate surfaces, such that CO2 uptake is greatly reduced. We have made the first measurements of the simultaneous adsorption of CO2 and H2O under conditions appropriate to the Martian regolith and have found that at H2O monolayer coverage above about 0.5, CO2 begins to be displaced into the gas phase. We have developed an empirical expression that describes our co-adsorption data and have applied it to standard models of the Martian regolith. We find that currently, H2O does not substantially displace CO2, implying that the adsorbate inventories previously derived may be accurate, not more than 3-4 kPa (30-40 mbar). No substantial increase in atmospheric pressure is predicted at higher obliquities because high-latitude ground ice buffers the partial pressure of H2O in the pores, preventing high monolayer coverages of H2O from displacing CO2. The peak atmospheric pressure at high obliquity does increase as the total inventory of exchangeable CO2 increases.

Zent, Aaron P.↗
NASA NTRS1996

Seasonal Variations of Water Vapor in the Lower Stratosphere Inferred from ATMOS/ATLAS-3 Measurements of H2O and CH4

Stratospheric measurements of H2O and CH4 by the Atmospheric Trace Molecule Spectroscopy (ATMOS) Fourier transform spectrometer on the ATLAS-3 shuttle flight in November 1994 have been examined to investigate the altitude and geographic variability of H2O and the quantity H = (H2O + 2CH4) in the tropics and at mid-latitudes (8 to 49 deg N) in the northern hemisphere. The measurements indicate an average value of 7.24 +/- 0.44 ppmv for H between altitudes of about 18 to 35 km, corresponding to an annual average water vapor mixing ratio of 3.85 +/- 0.29 ppmv entering the stratosphere. The H2O vertical distribution in the tropics exhibits a wave-like structure in the 16- to 25-km altitude range, suggestive of seasonal variations in the water vapor transported from the troposphere to the stratosphere. The hygropause appears to be nearly coincident with the tropopause at the time of observations. This is consistent with the phase of the seasonal cycle of H2O in the lower stratosphere, since the ATMOS observations were made in November when the H2O content of air injected into the stratosphere from the troposphere is decreasing from its seasonal peak in July-August.

Abbas, M. M.↗
NASA NTRS1996

Space-Borne H2O Observations in the Arctic Stratosphere and Mesosphere in the Spring of 1992

We report on stratospheric and mesospheric water vapor (H2O) observations obtained by the Millimeter wave Atmospheric Sounder (MAS) in the Arctic spring of 1992. In the lower stratosphere, the observations show enhanced H2O inside the vortex between 450 K and 625 K, in agreement with other H2O observations. In the upper stratosphere and lower mesosphere, at potential temperatures between 1850 K and 2200 K, we find regions of depressed H2O volume mixing ratio coincident with remnants of high potential vorticity. The depressed mesospheric H2O, as well as the enhanced lower stratospheric H2O, are consistent with wintertime descent. It also suggests effective containment of air up into the lower mesosphere.

Aellig, C. P.↗
NASA NTRS1996

Seasonal Variations of Water Vapor in the Lower Stratosphere Inferred from ATMOS/ATLAS-3 Measurements of H2O and CH4

Stratospheric measurements of H2O and CH4 by the Atmospheric Trace Molecule Spectroscopy (ATMOS) Fourier transform spectrometer on the ATLAS-3 shuttle flight in November 1994 have been examined to investigate the altitude and geographic variability of H2O and the quantity H = (H2O + 2CH4) in the tropics and at mid-latitudes (8 to 49 deg N) in the northern hemisphere. The measurements indicate an average value of 7.24 plus or minus 0.44 ppmv for H between altitudes of about 18 to 35 km, corresponding to an annual average water vapor mixing ratio of 3.85 plus or minus 0.29 ppmv entering the stratosphere. The H2O vertical distribution in the tropics exhibits a wave-like structure in the 16- to 25-km altitude range, suggestive of seasonal variations in the water vapor transported from the troposphere to the stratosphere. The hygropause appears to be nearly coincident with the tropopause at the time of observations. This is consistent with the phase of the seasonal cycle of H2O in the lower stratosphere, since the ATMOS observations were made in November when the H2O content of air injected into the stratosphere from the troposphere is decreasing from its seasonal peak in July - August.

Abbas, M. M.↗
NASA NTRS1995

Simultaneous adsorption of CO2 and H2O under Mars-like conditions and application to the evolution of the Martian climate

The Martian regolith is the most substantial volatile reservoir on the planet; estimates of its adsorbed inventory have been based on simple measurements of the adsorption of either water or CO2 in isolation. Under some conditions, H2O can poison adsorbate surfaces, such that CO2 uptake is greatly reduced. We have made the first measurements of the simultaneous adsorption of CO2 and H2O under conditions appropriate to the Martian regolith and have found that at H2O monolayer coverage above about 0.5, CO2 begins to be displaced into the gas phase. We have developed an empirical expression that describes our co-adsorption data and have applied it to standard models of the Martian regolith. We find that currently, H2O does not substantially displace CO, implying that the adsorbate inventories previously derived may be accurate, not more than 3-4 kPa (30-40 mbar). No substantial increase in atmospheric pressure is predicted at higher obliquities because high-latitude ground ice buffers the partial pressure of H2O in the pores, preventing high monolayer coverages of H2O from displacing CO2. The peak atmospheric pressure at high obliquity does increase as the total inventory of exchangeable CO2 increases.

Zent, Aaron, P.↗
NASA NTRS2004

Laboratory Infrared Spectra of Polycyclic Aromatic Nitrogen Heterocycles: Quinoline, and Phenanthridine in Solid Argon and H2O

Polycyclic aromatic hydrocarbons (PAHs) are common throughout the universe. Their detection and identification are based on telescopic infrared (IR) spectra compared with laboratory data. Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are heterocyclic aromatics i.e., PAHs with carbon atoms replaced by a nitrogen atom. These molecules should be present in the interstellar medium, but have received relatively little attention. We present mid-IR spectra of two PANHs, quinoline (C9H7N), and phenanthridine (C13H9N) isolated in solid argon and frozen in solid H2O at 12 K, conditions yielding data directly comparable to astronomical observations. In contrast to simple PAHs, that do not interact strongly with solid H2O, the nitrogen atoms in PANHs are potentially capable of hydrogen bonding with H2O. Whereas the IR spectrum of phenanthridine in H2O is similar to that of the same compound isolated in an argon matrix, quinoline absorptions shift up to 16 cm(sup -1) (0.072 mm) between argon and H2O. Thus, astronomers will not always be able to rely on IR band positions of matrix isolated PANHs to correctly interpret the absorptions of PANHs frozen in H2O ice grains. Furthermore, our data suggest that relative band areas also vary, so determining column densities to better than a factor of 3 will require knowledge of the matrix in which the PANH is embedded and laboratory studies of relevant samples.

Bernstein, M. P.↗
NASA NTRS2007

Effects of Convective Ice Lofting on H2O and HDO in the Tropical Tropopause Layer

We have added convective ice lofting to a Lagrangian trajectory model of near-tropopause water vapor (H2O) and its isotopologue HDO. The ice lofting simulation is based on a parameterization derived from Aura Microwave Limb Sounder (MLS) icewater content measurements. In previous papers, the Lagrangian model has accurately interannual and seasonal H2O abundances; there was no need for convection to be included in the model. We show here that this model does a poor job of simulating near-tropopause HDO, but that the addition of convective ice lofting greatly improves the HDO simulation. Convective ice lofting has a small effect on lower stratospheric H2O. H2O there is set by the minimum temperature encountered at the cold-point tropopause, so H2O added by convection below this level does not make it through this cold point and into the lower stratosphere. Thus, adding convection to the model does not degrade the model's previously demonstrated accurate simulations of H2O. We conclude that the HDO data suggest an important role for convective mass flux into the so-called tropical tropopause layer.

Dessler, A. E.↗
DOE OSTI2021

Photoelectron Spectroscopy and Theoretical Study on Monosolvated Cyanate Analogue Clusters ECX-· Sol (ECX- = NCSe-, AsCSe- and AsCS-; Sol = H2O, CH3CN)

Six monosolvated cyanate analogue clusters ECX-?Sol (ECX– = NCSe-, AsCSe-, and AsCS-; Sol = H2O and CH3CN) were investigated using negative ion photoelectron spectroscopy (NIPES). NIPES experiments show that these clusters possess overall similar spectra compared to their respective isolated ECX- anions but shift to higher electron binding energy with solvent CH3CN stabilizing the excess electrons slightly more than H2O. For the ECX-·H2O series, vertical detachment energies and their increments relative to the bare species are measured to be 3.700 / 0.370, 3.085 / 0.425, 3.085 / 0.430 eV for NCSe-, AsCSe- and AsCS-, respectively, while the corresponding values in ECX-·CH3CN series are 3.835 / 0.505, 3.145 / 0.475, and 3.135 / 0.480 eV. Ab initio electronic structure calculations indicate the excess charges located at the terminal N and Se atoms in NCSe- and migrated to the central C atom in AsCSe- and AsCS-. For NCSe-, the solvation is driven by the interactions with the two negatively charged terminal ends, while for AsCSe- and AsCS-, the solvation revolves around the interactions with the central C atom, where all the excess negative charge is concentrated. Two nearly degenerate isomers for NCSe-·H2O are identified, one forming a single strong N…H-O hydrogen bond (HB) and the other featuring a bidentate HB with two hydroxyl H atoms pointing to N and Se ends. In contrast, the negative central C atom in AsCSe-/AsCS- allows the formation of a bifurcated HB with H2O. Similar effects are observed for the acetonitrile case, in which the three H atoms of methyl group interact with the two negatively charged terminal ends in NCSe-, while prefer binding to the central negative carbon atom in AsCSe-/AsCS-. The different binding motifs derived in this work may suggest distinctly different solvation properties in NCSe- versus AsCSe-/AsCS-, with the former anion leading to asymmetric solvation at the N end of the solute, while the latter species creating more ‘isotropic’ solvation around the central C equatorial plane. This work was supported by U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, and performed using EMSL, a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. The theoretical calculations were conducted on EMSL’s “Cascade” Supercomputer.

Yuan, Qinqin↗
DOE OSTI2021

Effects of CO and H2O Co-Feed on the Adsorption and Oxidation Properties of a Pd/BEA Hydrocarbon Trap

Hydrocarbon traps for exhaust emissions control adsorb hydrocarbons in low temperature exhaust and release them as the exhaust warms up. In this work, a Pd/BEA hydrocarbon trap was tested under lean exhaust conditions using ethylene and dodecane as model hydrocarbons. Ethylene uptake was partially inhibited by CO and H2O when fed separately. When both were added, the loss in ethylene uptake was 90% relative to the condition with no H2O or CO. Dodecane uptake was unchanged under all conditions tested. During a temperature ramp, ethylene desorbed and was combusted to CO2 and H2O over active Pd centers. Further, oxidation light-off of dodecane generated an exotherm which caused rapid desorption of the remaining hydrocarbon species from the zeolite. For both hydrocarbons, CO co-feed led to a decreased oxidation light-off temperature, and therefore lower desorption temperature. By pretreating the catalyst in CO and H2O at 80 °C, and even after removing CO from the feed, the enhanced oxidation light-off behavior was observed. DRIFTS characterization shows that some form of oxidized Pd was reducible to Pd0 by CO at 80 °C only in the presence of H2O. Further, this reduction appears reversible by high temperature oxygen treatment. We speculate that this reduced Pd phase serves as the active site for low temperature hydrocarbon oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Exchange of adsorbed H2O and CO2 between the regolith and atmosphere of Mars caused by changes in surface insolation

Estimates have been made of the capacity of the Martian regolith to exchange adsorbed H2O and CO2 with the atmosphere-plus-cap system (APCS). These estimates are based upon measured isotherms for H2O and CO2 adsorption on pulverized basalt at low temperatures and on theoretical considerations. A unit column (1 sq cm) of regolith with a deep subsurface temperature of -77 C, considered average for the disk, will contain about 0.4 g of adsorbed CO2 and about 1 g of adsorbed H2O per meter of depth. Under favorable circumstances the top 3 cm can exchange much more H2O with the lower atmosphere each day than is necessary to produce the diurnal brightening. The process appears to be seasonally reversible. The total regolith may contain, in the adsorbed phase alone, as much as 1% of the H2O and 5% of the CO2 surface inventories expected for a hypothetical Mars that has experienced degassing as intensive as that of earth.

Fanale, F. P.↗
NASA NTRS1978

The effect of H2O and CO2 on planetary mantles

The peridotite-H2O-CO2 system is discussed, and it is shown that even traces of H2O and CO2, in minerals or vapor, lower mantle solidus temperatures through hundreds of degrees in comparison with the volatile-free solidus. The solidus for peridotite-H2O-CO2 is a divariant surface traversed by univariant lines that locate the intersections of subsolidus divariant surfaces for carbonation or hydration reactions occurring in the presence of H2O-CO2 mixtures. Vapor phase compositions are normally buffered to these lines, and near the buffered curve for the solidus of partly carbonated peridotite there is a temperature maximum on the peridotite-vapor solidus. Characteristics on the CO2 side of the maximum and on the H2O side of the maximum are described.

Wyllie, P. J.↗
NASA NTRS1980

Studies of H2O on beta-AgI surfaces - An effective pair potential model

The adsorption of a water molecule on surfaces of beta-AgI, the hexagonal crystal believed to be primarily responsible for the ice-nucleating properties of AgI, is studied on the basis of an effective pair potential model. The water molecule is represented by a rigid point charge ST-2 model and the AgI substrate by an array of point atoms, and maximal binding energy surfaces and optimal H2O configurations are generated for the water molecule adsorbed on the rigid and unrelaxed basal and prism faces. Modeling of H2O adsorption above a two-layer ledge, an iodine vacancy and an H2O molecule trapped in the vacancy indicates that H2O adsorption is favored at interstitial sites where no substrate atoms lie directly below. The prism face is found to attract the water molecule more strongly and provide larger energy barriers to surface diffusion than basal face sites, with the ideal basal faces providing hexagonal patterns of adsorption sites for the H2O with preferred dipole moments aligned.

Hale, B. N.↗