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All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Photochemistry of Triton's Atmosphere and Ionosphere

The photochemistry of 32 neutral and 21 ion species in Triton's atmosphere is considered. Parent species N2, CH4, and CO (with a mixing ratio of 3 x 10(exp -4) in our basic model) sublime from the ice with rates of 40, 208, and 0.3 g/sq cm/b.y., respectively. Chemistry below 50 km is driven mostly by photolysis of methane by the solar and interstellar medium Lyman-alpha photons, producing hydrocarbons C2H4, C2H6, and C2H2 which form haze particles with precipitation rates of 135, 28, and 1.3 g/sq cm/b.y., respectively. Some processes are discussed which increase the production of HCN (by an order of magnitude to a value of 29 g/sq cm/b.y.) and involve indirect photolysis of N2 by neutrals. Reanalysis of the measured methane profiles gives an eddy diffusion coefficient K = 4 x 10(exp 3) sq cm/s above the tropopause and a more accurate methane number density near the surface, (3.1 +/- 0.8) x 10(exp 11)/cc cm. Chemistry above 200 km is driven by the solar EUV radiation (lambda less than 1000 A)) and by precipitation of magnetospheric electrons with a total energy input of 10(exp 8) W (based on thermal balance calculations). The most abundant photochemical species are N, H2, H, O, and C. They escape with the total rates of 7.7 x 10(exp 24)/ s, 4.5 x 10(exp 25)/ s, 2.4 x 10(exp 25)/ s, 4.4 x 10(exp 22)/ s, and 1.1 x 10(exp 24)/ s, respectively. Atomic species are transported to a region of 50-200 km and drive the chemistry there. Iono- spheric chemistry explains the formation of an E region at 150-240 km with HCO(+) as a major ion, and of an F region above 240 km with a peak at 320 km and C(+) as a major ion. The ionosphere above 500 km consists of almost equal densities of C(+) and N(+) ions. The model profiles agree with the measured atomic nitrogen and electron density profiles. A number of other models with varying rate coefficients of some reactions, differing properties of the haze particles (chemically passive or active), etc., were developed. These models show that there are four basic unknown values which have strong impacts on the composition and structure of the atmosphere and ionosphere. These values and their plausible ranges are the CO mixing ratio f(sub co) = 10(exp -4)- 10(exp -3), the magnetospheric electron energy input (1 +/- 0.5) x 10(exp 8) W, the rate coefficient of charge-exchange reaction N2(+) + Ck = 10(exp -11)-10(exp -10)cc cm/s, and the ion escape velocity upselon(sub i) approx. 150 cm/s.

Krasnopolsky, Vladimir A.↗
NASA NTRS2004

International Space Station (ISS) Major Constituent Analyzer (MCA) On-Orbit Performance

The Major Constituent Analyzer (MCA) is an essential part of the International Space Station (ISS) environmental control and life support system. The analyzer provides continuous readout of the partial pressures of six gases, nitrogen (N2), oxygen (O2), hydrogen (H2), carbon dioxide (CO2), methane (CH4) and water vapor (H2O) in the various ISS US. on-orbit modules. Continuous readout of the partial pressures of these gases is critical to verifying safe operation of the Atmosphere Revitalization (AR) system, Atmosphere Control System (ACS), and crew safety for Airlock Extravehicular Activities (EVAs). The MCA encountered some operational interruptions since being launched to orbit on Flight 5A in February 2001. Electronic, software, and hardware modifications and on-orbit crew maintenance of the MCA were necessary to restore its capability. This paper describes the modifications and the on-orbit maintenance performed to return the MCA to operational status, including brief explanations of the MCA failures and the associated hardware and electronic modifications. Operational procedures that were required to return the MCA to operational status, and the more recent successes of supporting both Russian and U.S. ISS EVA preparations, are also discussed

Reysa, Richard↗
DOE OSTI2021

Structure-Activity Relationships of Hydrothermally Aged Titania-Supported Vanadium-Tungsten Oxide Catalysts for SCR of NOx Emissions with NH3

Supported V2O5-WO3/TiO2 materials employed as selective catalytic reduction (SCR) catalysts for NOx emission control from power plants. Fresh SCR catalysts usually receive exposure to harsh treatments in industry to accelerate catalyst activation (calcination in air at 650oC) and catalyst aging (hydrothermal aging at 650oC) in a way that represents various points in the catalyst/product lifetime. The present study investigates the catalyst structural and chemical changes occurring during such harsh treatments. Three series of supported V2O5-WO3/TiO2 catalysts were prepared by incipient-wetness impregnation of aqueous ammonium metavanadate and metatungstate precursors. The catalysts were subsequently dried and calcined at 550oC in O2, 650oC in O2, and hydrothermal conditions (10% O2, 8% H2O, 7% CO2 and 75% N2) at 650oC. The resulting catalysts were physically characterized by numerous techniques (in situ Raman, in situ IR, in situ High Field-High Spinning solid-state 51V MAS NMR, in situ EPR, XRD, BET surface area and ICP) and chemically probed with adsorbed ammonia, SCR-TPSR, and the SCR reaction. The surface WOx sites on the TiO2 support behave as a textural promoter that stabilizes the TiO2 (anatase) phase from sintering and transforming to the undesirable crystalline TiO2 (rutile) phase that can lead to formation of a Ti1-xVxO2 (rutile) solid solution with reduced V4+ cations (~7-15%). The surface VOx sites are mostly oligomerized as surface V+5Ox sites (~50-85% oligomers) and the extent of oligomerization tends to increase with surface WOx coverage and calcination temperature. A major difference between the calcined and hydrothermally treated catalysts was the low concentration of surface NH3* species on Lewis acid sites for the hydrothermally treated catalysts, yet the SCR activity was almost comparable for both catalysts. This finding suggests that surface NH4+*, primarily associated with the surface VOx sites, are able to efficiently perform the SCR reaction. Given that multiple catalyst parameters were simultaneously varying during these treatments, it was difficult to correlate the SCR activity with any single catalyst parameter. A correlation, however, was found between the SCR TOF/activity and the sum of the surface NH3* and NH4+* species, which is dominated by the surface NH4+* species.

SCR, NO, NH3, catalyst, V2O5, WO3, TiO2, promotion↗
DOE OSTI2023

Polyhedral Distortions and Unusual Magnetic Order in Spinel FeMn 2 O 4

Spinel compounds AB 2 X 4 consist of both tetrahedral (AX 4 ) and octahedral (BX 6) environments with the former forming a diamond lattice and the latter a geometrically frustrated pyrochlore lattice. Exploring the fascinating physical properties and their correlations with structural features is critical in understanding these materials. FeMn 2 O 4 has been reported to exhibit one structural transition and two successive magnetic transitions. In this work, we report the polyhedral distortions and their correlations to the structural and two magnetic transitions in FeMn 2 O 4 by employing the high-resolution neutron powder diffraction. The cation distribution is found to be ($Mn_{0.9}^{2+}Fe_{0.1}^{3+}$)$_{A}$($Mn^{3+}Fe_{0.9}^{3+}Mn_{0.1}^{2+}$)$_{B}$O 4 . While large trigonal distortion is found even in the high-temperature cubic phase, the first-order cubic-tetragonal structural transition associated with the elongation of both tetrahedra and octahedra with shared oxygen atoms along the c axis occurs at T S ≈ 750 K, driven by the Jahn–Teller effect of the orbital active B-site Mn 3+ cation. Strong magnetoelastic coupling is unveiled at T N1 ≈ 400 K as manifested by the appearance of Néel-type collinear ferrimagnetic order, an anomaly in both tetrahedral and octahedral distortions, as well as an anomalous decrease of the lattice constants c and a weak anomaly of a. Upon cooling to T N2 ≈ 65 K, it evolves to a noncollinear ferrimagnetic order accompanied by the different moments at the split magnetic sites B1 and B2. Only one-half of the B-site Mn 3+ /Fe 3+ spins, i.e., the B2-site spins in the pyrochlore lattice, are canted, which is a unique magnetic order among spinels. The canting angle between A-site and B2-site moments is ~25°, but the B1-site moment stays antiparallel to the A-site moment even at 10 K. This noncollinear order is accompanied by a modification of the O–B–O bond angles in the octahedra without significant change in lattice constants or tetrahedral/octahedral distortion parameters, indicating a distinct magnetoelastic coupling. We demonstrate distinct roles of the A-site and B-site magnetic cations in the structural and magnetic properties of FeMn 2 O 4 . Our study indicates that FeMn 2 O 4 is a wonderful platform to unveil interesting magnetic order and to investigate their correlations with polyhedral distortions and lattice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Connecting Nitrogen Transformations Mediated by the Rhizosphere Microbiome to Perennial Cropping System Productivity in Marginal Lands

The demand for energy from biofuel production is increasing, prompting concerns about the environmental impact and long-term sustainability of bioenergy cropping systems. These cropping systems will make up much of our future landscapes, and threaten to take the place of food cropping systems. Many life cycle analyses of bioenergy sustainability focus on carbon accrual and budgets, since they want to maximize carbon accrual while producing alternative fuel. Less attention has been given to nitrogen (N) dynamics in these systems. N is the most commonly limiting nutrient for plants, but applying nitrogen fertilizer- as we do for most cropping systems – is harmful to the environment, energetically costly, and produces greenhouse gases. In other words, adding nitrogen by fertilizer bioenergy systems could add to the very problems (climate change) it is trying to address. This is especially true for the areas that are proposed for bioenergy systems: marginal lands. These more degraded lands do not complete with food crops, but do have limited nitrogen. If we are to use these marginal lands for bioenergy, we need to understand the mechanisms regulating nutrient acquisition, and identify ways that bioenergy crops can get nitrogen in sustainable ways. Nutrient acquisition in the soil is performed by microbes in the root zone, or rhizosphere. Microbes can either mineralize nitrogen in the soil (from organic forms) or fix nitrogen from the air, in a process called nitrogen fixation. The goal of our project was thus to understand how the rhizosphere microbiome provides nutrients to bioenergy crops on marginal lands. We focus especially on the process of nitrogen fixation, since it has potential to get “fertilizer for free” that has much less environmental harm. We investigated this goal using sites from the DOE Great Lakes Bioenergy Research Center (GLBRC) in the upper Midwest, and associated lab and ‘omics methods. We group our findings into three major areas. First, we showed that nitrogen fixation, the conversion of N2 gas from the air to ammonium that is usable by plants, is performed in bioenergy soils, and benefits switchgrass crops. While more well-studied in leguminous plants, free-living nitrogen fixation can occur in some systems, and represents a potential opportunity to gain ‘free’ sustainable nitrogen source. We identified the nitrogen fixing bacteria that were most active in providing switchgrass with N, and showed that the drivers of nitrogen fixation occurred at a microscale; it is not well-predicted by bulk variables like soil moisture or plant phenology. Second, we showed that nitrogen fixation is not suppressed by long-term fertilizer. We expected that plentiful nitrogen would reduce the symbiotic relationship between nitrogen fixers and plants, and ‘downregulate’ fixation. We did not find evidence for this, either after long-term fertilizer in the field, or short-term fertilizer in the greenhouse. Finally, we identified the root exudates, carbon compounds that are emitted from the root, that best stimulate nitrogen fixation. We found that carbohydrates were better at stimulating fixation than organic acids. We expected these exudates to be emitted from the plant in periods of high N demand, but we found they are emitted when N is plentiful. This suggests that the stimulation of N fixation by plants is a passive process. Overall, we show that nitrogen fixation has potential to support bioenergy cropping system, and future management could develop ways to maximize it. However, this may not be best achieved via the plant – we found very little evidence of a ‘transactional’ system by which plants are controlling when and where nitrogen fixation is stimulated. It will be better to understand how management practices like planting and fertilizer application affect the microscale soil dynamics, which will determine nitrogen fixation rates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Fabrication and Testing of Micro Flux Monitors in the High Flux Isotope Reactor

Neutron dosimetry is a critical technique to measure the neutron flux, fluence, and energy spectrum of nuclear reactors and can be used to indicate fuel reloading, high-power operations, or changes in cycle length. This work presents results of a novel device named the micro flux monitor, which is a miniaturized neutron dosimeter made from small quantities (100s of nanograms) of Ti, Al, Ni, and Au metals deposited on Si and high-purity fused silica substrates using standard semiconductor fabrication techniques. Approximately 1,250 of these devices were produced, and 40 were irradiated in the pneumatic tube facility of the Neutron Activation Analysis Laboratory at the High Flux Isotope Reactor. Testing demonstrated that dosimeter metals can be deposited predictably and repeatedly in multiple geometries, including as quick response (QR) codes. Neutron flux measurements with these devices were within 3% of measurements made using standard flux monitors, demonstrating the efficacy of these devices. Devices were also tested at 500°C under a N2 atmosphere and showed minimal degradation, suggesting they could be deployed for neutron dosimetry measurements in high-temperature advanced reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2002

Enzyme-based CO2 capture for advanced life support

Elevated CO2 levels in air can lead to impaired functioning and even death to humans. Control of CO2 is critical in confined spaces that have little physical or biological buffering capacity (e.g., spacecraft, submarines, or aircraft). A novel enzyme-based contained liquid membrane bioreactor was designed for CO2 capture and certain application cases are reported in this article. The results show that the liquid layer accounts for the major transport resistance. With addition of carbonic anhydrase, the transport resistance decreased by 71%. Volatile organic compounds of the type and concentration expected to be present in either the crew cabin or a plant growth chamber did not influence carbonic anhydrase activity or reactor operation during 1-day operation. Alternative sweep method studies, examined as a means of eliminating consumables, showed that the feed gas could be used successfully in a bypass mode when combined with medium vacuum pressure (-85 kPa) to achieve CO2 separation comparable to that with an inert sweep gas. The reactor exhibited a selectivity for CO2 versus N2 of 1400:1 and CO2 versus O2 is 866:1. The CO2 permeance was 1.44 x 10(-7) mol m-2 Pa-1 s-1 (4.3 x 10(-4) cm3 cm-2 s-1 cmHg-1) at a feed concentration of 0.1% CO2. These data show that the enzyme-based contained liquid membrane is a promising candidate technology that may be suitable for NASA applications to control CO2 in the crew or plant chambers.

NASA Discipline Life Support Systems↗
NASA NTRS2004

Atmospheric Pseudohalogen Chemistry

Hydrogen cyanide is not usually considered in atmospheric chemical models. The paper presents three reasons why hydrogen cyanide is likely to be significant for atmospheric chemistry. Firstly, HCN is a product and marker of biomass burning. Secondly, it is also likely that lightning is producing HCN, and as HCN is sparingly soluble it could be a useful long-lived "smoking gun" marker of lightning activity. Thirdly, the chemical decomposition of HCN leads to the production of small amounts of the cyanide (CN) and NCO radicals. The NCO radical can be photolyzed in the visible portion of the spectrum yielding nitrogen atoms (N). The production of nitrogen atoms is significant as it leads to the titration of total nitrogen from the atmosphere via N+N->N2, where N2 is molecular nitrogen.

Lary, David John↗
NASA NTRS1990

Theoretical characterization of the potential energy surface for H + N2 yields HN2. II - Computed points to define a global potential

A previous calculation for H + N2 (Walch et al., 1989) focused on the minimum energy path (MEP) region of the potential energy surface and on estimates of the lifetime of the HN2 species. In this paper, energies computed at geometries selected to permit a global representation of the potential energy surface (PES) are reported. As in the previous work, the calculations were performed using the complete active space self-consistent field/externally contracted configuration interaction method. The surface was characterized using the same basis set as in the previous paper except that an improved contraction of the H s-basis is used. Calculations with a larger basis set were carried out along an approximate MEP obtained with the smaller basis set. The new PES exhibits a sharp curvature, which was not present in the previous calculations, and has a slightly narrower and smaller barrier to dissociation. Saddle points for H atom exchange via collinear and T shaped HN2 complexes are also reported.

Walch, Stephen P.↗
NASA NTRS1993

Neutral composition measurements by the Pioneer Venus Neutral Mass Spectrometer during orbiter re-entry

Measurements by the Pioneer Venus Orbiter Neutral Mass Spectrometer (ONMS) instrument during Orbiter re-entry have been made from 18-24 hours local solar time, above 170 km, of He, and from midnight to 4.5 hours below 200 km of He, N, O, CO, N2, and CO2. Preliminary results indicate that in the post-midnight sector He is the dominant species above 170 km, O the dominant species from 140-170 km and CO2 the dominant species below 140 km. Estimated scale height temperatures for He, O, and CO2 of about 105-120 K are similar to those observed in 1978-1980 at higher solar activity. The densities at 1 am local solar time and at 150 km are within 35% of those measured earlier. The He bulge is also similar to that observed in 1978-1980 confirming that thermosphere superrotation is still present. Comparison with the results of a Venus Thermosphere General Circulation Model suggests the nightside is not sensitive to changes in solar activity due to the isolation of the day and night thermospheres. apparently, the relatively small changes in the dayside thermosphere with solar activity have little impact on the nightside thermosphere.

Kasprzak, W. T.↗
NASA NTRS1993

Neutral Composition Measurements by the Pioneer Venus Neutral Mass Spectrometer During Orbiter Re-Entry

Measurements by the Pioneer Venus Orbiter Neutral Mass Spectrometer (ONMS) instrument during Orbiter re-entry have been made from 18-24 hours local solar time, above 170 km, of He, and from midnight to 4.5 hours below 200 km of He, N, O, CO, N2, and CO2. Preliminary results indicate that in the post-midnight sector He is the dominant species above 170 km, O the dominant species from 140-170 km and CO2 the dominant species below 140 km. Estimated scale height temperatures for He, O and CO2 of about 105-120 K are similar to those observed in 1978-80 at higher solar activity. The densities at 1 am local solar time and at 150 km are within 35% of those measured earlier. The He bulge is also similar to that observed in 1978-80 confirming that thermosphere superrotation is still present. Comparison with the results of a Venus Thermosphere General Circulation Model suggests the nightside is not sensitive to changes in solar activity due to the isolation of the day and night thermospheres. Apparently, the relatively small changes in the dayside thermosphere with solar activity have little impact on the nightside thermosphere.

Kasprzak, W. T.↗
NASA NTRS1977

A dynamical model of upper-atmospheric helium

This numerical study of the global distribution of helium in the terrestrial thermosphere is based on the extension of a three-dimensional single-fluid numerical model of the thermosphere previously developed by the authors to treat the dynamics of a minor gas imbedded in a background gas made up of N2, O2, and O. The Cira (1972) model of the upper atmosphere, based on satellite drag data, is used to specify the background gas density and temperature as functions of altitude, latitude, and local time for a given day of the year. Specific emphasis is placed on a study of the helium distribution at solstice, i.e., the 'winter helium bulge'. Effects of solar activity, eddy diffusion, and exospheric transport on the global distribution of helium are investigated. The model reproduces the general features of the winter helium bulge, including the variation of its amplitude with solar activity, as determined by comparison of data from several recent satellite-borne mass spectrometers.

Straus, J. M.↗
NASA NTRS1990

Definition of experiments to investigate fire suppressants in microgravity

Defined and justified here are the conceptual design and operation of a critical set of experiments expected to yield information on suppressants and on suppressant delivery systems under realistic spacecraft-fire conditions (smoldering). Specific experiment parameters are provided on the solid fuel (carbon), oxidants (habitable spacecraft atmospheres), fuel/oxidant supply, mixing mode, and rate (quiescent and finite; ventilated and replenishable), ignition mode, event, and reignition tendency, fire-zone size, fire conditions, lifetime, and consequences (toxicity), suppressants (CO2, H2O, N2) and suppressant delivery systems, and diagnostics. Candidate suppressants were identified after an analysis of how reduced gravity alters combustion, and how these alterations may influence the modes, mechanisms, and capacities of terrestrial agents to suppress unwanted combustion, or fire. Preferred spacecraft suppression concepts included the local, near-quiescent application of a gas, vapor, or mist that has thermophysical fire-suppression activity and is chemically inert under terrestrial (normal gravity) combustion conditions. The scale, number, and duration (about 1 hour) of the proposed low-gravity experiments were estimated using data not only on the limitations imposed by spacecraft-carrier (Shuttle or Space Station Freedom) accommodations, but also data on the details and experience of standardized smolder-suppression experiments at normal gravity. Deliberately incorporated into the conceptual design was sufficient interchangeability for the prototype experimental package to fly either on Shuttle now or Freedom later. This flexibility is provided by the design concept of up to 25 modular fuel canisters within a containment vessel, which permits both integration into existing low-gravity in-space combustion experiments and simultaneous testing of separate experiments to conserve utilities and time.

Reuther, James J.↗
NASA NTRS1980

Protective clothing textile research for space activities in the 1980's

Textile and clothing specifications for space activities are discussed, emphasizing a chronological and utilitarian role. New fabrication techniques led to the Mercury Space Suit, a constant-wear hybrid of the omni-environmental full pressure suit used by high-flying pilots of the 1950s. The Gemini program (1964-1966) provided the first specifically designed protective clothing assembly for both intra- and extravehicular operations. The G4C, used for EV (extravehicular) activities, protected the astronaut against solar radiation, heat loss, and meteoroid penetration. The clothing for the Apollo program (1968-1975) mirrored a greater concern for fire safety with Durette (a halogenated polyamide) and PBI (polybenzimadazole) widely used for intravehicular garments. With the advent of the Shuttle program, cabin pressure and composition were changed from 6 psi, 100% oxygen to 9-14 psi, 23.4% oxygen, 76.6% N2. As a result, 'off-the-shelf' materials were used without compromising fire safety. Reusability was stressed, as textile costs and durability were now important selection criteria noting that existing textile materials will probably be adequate for the next 20 years of space operations and research. A portable lunar survival shelter made of textiles is being developed; and a preliminary design for an EV 'tunnel suit system' (an access tunnel and homoform work station) is already in existence.

Radnofsky, M. I.↗
DOE OSTI2021

INSIGHTS INTO MARINE UNICELLULAR CYANOBACTERIAL AND NON-CYANOBACTERIAL DIAZOTROPHS THROUGH SINGLE-CELL ANALYSES

Nutrient availability affects primary productivity, and nitrogen (N) is the limiting nutrient over large regions of the ocean. Biological N fixation (BNF) is the conversion of atmospheric dinitrogen (N2) to bioavailable forms of N (ammonium and amino acids). A select group of Bacteria and Archaea, known as diazotrophs, are the only organisms capable of this conversion. BNF is a critical source of N in nutrient-depleted (oligotrophic) marine waters. As such, BNF studies are a fundamental component for better understanding primary productivity and carbon cycling, as well as parameterizing predictive future global ocean models. Unicellular diazotrophs are widespread in marine systems and, in some cases, important contributors of BNF. This dissertation investigates unicellular diazotrophs at the single-cell level, including: UCYN-A, a cyanobacterial diazotroph that lives in symbiosis with an algal host, non-cyanobacterial diazotrophs (NCDs), which are putative heterotrophs, as well as a specific NCD known as Gamma A, a commonly occurring organism throughout the tropics and subtropics that belongs to the class Gammaproteobacteria. The single-cell investigations used in these studies can provide high-resolution insights that are not possible from community-level analyses of BNF, such as the N2 fixation rate of individual cells and cell morphology. Singlecell nanoscale secondary ion mass spectrometry (nanoSIMS) analyses were used in chapter 2 and 3 to investigate the cell-specific N2 fixation rates of (2) UCYN-A in the viii cold waters of the Bering and Arctic Seas where N2 fixation was not previously believed to be possible, and (3) NCDs in the North Pacific Subtropical Gyre where we demonstrated the first direct evidence of NCD N2 fixation on open ocean particles. Chapter 4 focused on the uncultivated NCD, Gamma A, using geneFISH to visualize single cells in natural seawater samples. We successfully identified Gamma A by developing a fluorescent in situ hybridization (FISH) probe targeting the diazotrophic functional marker gene nifH, revealing Gamma A cells are most often attached to particles. Together these studies provide new insights into the distributions, activities, and physiologies of geographically widespread, unicellular diazotrophs, thus improving our understanding of their roles as sources of fixed N in the surface ocean.

Harding, K.↗
NASA NTRS1988

Calculation of space station infrared irradiance from atmosphere-induced emissions

The excitation mechanisms and radiance estimates over the 1 to 10 micron region for CO2(v), H2O(v), CO(v), OH(v), NO2(2B-2A) and N2(B3 pi - A3 sigma) are discussed. The infrared irradiance of the Space Station at an altitude of 460 km was estimated. The surface material was presumed to be non-carbonaceous and inert. The determined number densities of the various gases relevant to the Space Station from both ambient and outgassing sources are presented. A model for the production of and emission from the infrared active molecules was constructed that considers two classes of production processes: (1) gas phase excitation of molecules in the near Station environment by collision with ambient flux; and (2) surface processes that lead to molecular excitation. A composite spectrum of all major emitting species shows that the observed irradiance is non-uniform over the 1 to 8 micron region. The comparison of predicted irradiance with the zodiacal background indicates that the Space Station infrared background from atmosphere-induced emissions may be a problem of consequence.

Fraser, M. E.↗
NASA NTRS1992

Theoretical characterization of the potential energy surface for NH + NO

The potential energy surface (PES) for NH + NO was characterized using complete active space self-consistent field (CASSCF) gradient calculations to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration interaction (CCI) calculations to refine the energetics. The present results are in qualitative accord with the BAC-MP4 calculations, but there are differences as large as 8 kcal/mol in the detailed energetics. Addition of NH to NO on a (2)A' surface, which correlated with N2 + OH or H + N2O products, involves barriers of 3.2 kcal/mol (trans) and 6.3 kcal/mol (cis). Experimental evidence for these barriers is found in earlier works. The (2)A' surface has no barrier to addition, but does not correlate with products. Surface crossings between the barrierless (2)A' surface and the (2)A' surface may be important. Production of N2 + OH products is predicted to occur via a planar saddle point of (2)A' symmetry. This is in accord with the preferential formation of II(A') lambda doublet levels of OH in earlier experiments. Addition of NH (1)delta to NO is found to occur on an excited state surface and is predicted to lead to N2O product as observed in earlier works.

Walch, Stephen P.↗
NASA NTRS2016

Physical State and Distribution of Materials at the Surface of Pluto from New Horizons LEISA Imaging Spectrometer

From Earth based observations Pluto is known to be the host of N2, CH4 and CO ices and also a dark red material. Very limited spatial distribution information is available from rotational visible and near-infrared spectral curves obtained from hemispheric measurements. In July 2015 the New Horizons spacecraft reached Pluto and its satellite system and recorded a large set of data. The LEISA spectro-imager of the RALPH instruments are dedicated to the study of the composition and physical state of the materials composing the surface. In this paper we report a study of the distribution and physical state of the ices and non-ice materials on Pluto's illuminated surface and their mode and degree of mixing. Principal Component analysis as well as various specific spectral indicators and correlation plots are used on the first set of 2 high resolution spectro-images from the LEISA instrument covering the whole illuminated face of Pluto at the time of the New Horizons encounter. Qualitative distribution maps have been obtained for the 4 main condensed molecules, N2, CH4, CO, H2O as well as for the visible-dark red material. Based on specific spectral indicators, using either the strength or the position of absorption bands, these 4 molecules are found to indicate the presence of 3 different types of ices: N2-rich:CH4:CO ices, CH4-rich(:CO:N2?) ices and H2O ice. The mixing lines between these ices and with the dark red material are studied using scatter plots between the various spectral indicators. CH4 is mixed at the molecular level with N2, most probably also with CO, thus forming a ternary molecular mixture that follows its phase diagram with low solubility limits. The occurrence of a N2-rich - CH4-rich ices mixing line associated with a progressive decrease of the CO/CH4 ratio tells us that a fractionation sublimation sequence transforms one type of ice to the other forming either a N2-rich - CH4-rich binary mixture at the surface or an upper CH4-rich ice crust that may hide the N2-rich ice below. The strong CH4-rich - H2O mixing line witnesses the subsequent sublimation of the CH4-rich ice lag left behind by the N2:CO sublimation (N spring-summer), or a direct condensation of CH4 ice on the cold H2O ice (S autumn). The weak mixing line between CH4-containing ices and the dark red material and the very sharp spatial transitions between these ices and this non-volatile material are probably due to thermal incompatibility. Finally the occurrence of a H2O ice - red material mixing line advocates for a spatial mixing of the red material covering H2O ice, with possibly a small amount intimately mixed in water ice. From this analysis of the different materials distribution and their relative mixing lines, H2O ice appears to be the substratum on which other ices condense or non-volatile organic material is deposited from the atmosphere. N2-rich ices seem to evolve to CH4-dominated ices, possibly still containing traces of CO and N2, as N2 and CO sublimate away. The spatial distribution of these materials is very complex. The high spatial definition of all these composition maps, as well as those at even higher resolution that will be soon available, will allow us to compare them with Pluto's geologic features observed by LORRI panchromatic and MVIC multispectral imagers to better understand the geophysical processes in action at the surface of this astonishingly active frozen world.

Schmitt, B.↗