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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Effect of the rotational-vibrational excitation on molecular diameters

The kinetic molecular diameters of rotationally and vibrationally excited diatomic molecules and molecular ions are derived as functions of the rotational and vibrational quantum numbers of the molecules. Typical molecular diameters are studied in two cases: in low-temperature gas, where the molecular diameter is independent of the degree of rotational-vibrational excitation of the molecules, and in high-temperature gas, where the molecular diameter depends on the degree of rotational-vibrational excitation of the molecules. The rotational-vibrational excitation of molecules is shown to have a meaningful effect on the collisional properties of gases. The effect is stronger in gases of weakly-bound molecules.

Kang, S. H.↗
NASA NTRS1993

158 micron forbidden C II mapping of the Orion molecular cloud

A fully sampled, 1000-point, 1-arcmin-resolution map of the inner 6.5 x 10 arcmin (alpha x delta) regions of the Orion Nebula in the 157.7409-micron forbidden fine-structure line is constructed. Large-scale strip maps in forbidden C II across the face of the Orion molecular cloud, and CO(17-16), (14-13), and (7-6) spectra are obtained at selected positions in the Orion H II region/molecular cloud interface. Strong forbidden C II line emission is observed across the face of the Orion molecular. The total forbidden C II luminosity from the Orion molecular cloud is about 1500 solar luminosities, or 0.3 percent of the FIR luminosity. The extended forbidden C II emission probably arises in either the UV-exposed surface of the molecular cloud or from the surfaces of UV-exposed clumps within the molecular cloud.

Stacey, G. J.↗
NASA NTRS1991

Theoretical molecular studies of astrophysical interest

When work under this grant began in 1974 there was a great need for state-to-state collisional excitation rates for interstellar molecules observed by radio astronomers. These were required to interpret observed line intensities in terms of local temperatures and densities, but, owing to lack of experimental or theoretical values, estimates then being used for this purpose ranged over several orders of magnitude. A problem of particular interest was collisional excitation of formaldehyde; Townes and Cheung had suggested that the relative size of different state-to-state rates (propensity rules) was responsible for the anomalous absorption observed for this species. We believed that numerical molecular scattering techniques (in particular the close coupling or coupled channel method) could be used to obtain accurate results, and that these would be computationally feasible since only a few molecular rotational levels are populated at the low temperatures thought to prevail in the observed regions. Such calculations also require detailed knowledge of the intermolecular forces, but we thought that those could also be obtained with sufficient accuracy by theoretical (quantum chemical) techniques. Others, notably Roy Gordon at Harvard, had made progress in solving the molecular scattering equations, generally using semi-empirical intermolecular potentials. Work done under this grant generalized Gordon's scattering code, and introduced the use of theoretical interaction potentials obtained by solving the molecular Schroedinger equation. Earlier work had considered only the excitation of a diatomic molecule by collisions with an atom, and we extended the formalism to include excitation of more general molecular rotors (e.g., H2CO, NH2, and H2O) and also collisions of two rotors (e.g., H2-H2).

Flynn, George↗
NASA NTRS1994

Constraints on molecular gas in cooling flows and powerful radio galaxies

We searched for molecular gas in a heterogeneous sample of five radio-loud galaxies (three of which are inferred to be in cooling flow clusters) using the Swedish-European Southern Observatory (Swedish-ESO) Submillimeter Telescope. We do not detect CO in emission in any of the cluster sources at a 3 sigma level of typically 15 mK. White et al. (1991) have suggested column densities of N(sub H) approximately 10(exp 21)/sq cm in these clusters with a spatial covering factor of order unity and a total mass of M approximately 10(exp 12) solar mass. Our limits are inconsistent with these column densities and spatial covering factor unless the molecular gas is very cold (kinetic temperature close to 2.7 K) or there only a few clouds along each line of sight. We estimate minimum temperatures in the range approximately 20-30 K. We find that clouds of atomic and molecular hydrogen require strict fine-tuning of parameter space in order to satisfy the requirements for the large column densities N(sub H) approximately 10(exp 21)/sq cm, unit covering factor, and a small number of clouds along the line of sight. Currently the only way molecular gas can be responsible for the X-ray absorption and still be consistent with our observations is if (1) there is of order one cloud along the line of sight and (2) the optical depth in C-12 1 to 0 is less than 10. In addition, we present a Very Large Array (VLA) image of NGC 4696 which suggests this object is a member of the class of 'amorphous cooling flow radio sources.' The C-12 1 to 0 line is detected in emission in PKS 0634-206, a classical double radio galaxy which is rich in extended optical emission line gas. The estimated molecular gas mass is M(sub mol) approximately 3 x 10(exp 9) solar mass and is much larger than that of the ionized component detected in hydrogen alpha suggesting that the emission-line nebula is radiation bounded.

O'Dea, Christopher P.↗
NASA NTRS1994

High altitude molecular clouds

A population of molecular clouds with a significantly greater scale height than that of giant molecular clouds (GMCs) has been identified by examining maps of the latitude distribution of the (12)CO(1 - 0) emission in the first quadrant of the Galaxy. These clouds are found by identifying emission more than 2.6 times the scale-height away from the Galactic midplane (centroid of CO emission) at the tangent points. Since the distance to the tangent points is known, we know the heights and the sizes of these clouds. They are smaller and fainter than the GMCs and do not seem to be gravitationally bound. These clouds have properties similar to the high-latitude clouds in the solar neighborhood. Although they lie outside the molecular cloud layer, the high-altitude clouds are well within the H I layer in the Galaxy and coincide with distinct peaks in the H I distribution. These clouds represent a Galaxy-wide population of small molecular clouds having a larger scale height. They may be clouds in transition between molecular and atomic phases.

Malhotra, Sangeeta↗
NASA NTRS1994

Dense molecular shocks and accretion onto protostellar disks

We have examined the physical and chemical processes which accompany the propagation of a J-type shock through molecular astrophysical gas of density 10(exp 7.5) - 10(exp 12) H nuclei per cu cm. Our study is primarily relevant to the high-density accretion shocks which are associated with the supersonic infall of material during the collapse of a molecular cloud core to form a protostar. We have carried out a general parameter study to determine the characteristic infrared emission spectrum of dense molecular shocks and the extent of grain destruction within such shocks as a function of relevant shock parameters. Accretion shocks with mass accretion rates approximately greater than 10(exp -5) solar masses per y are plausible sources of the CO v = 2-0 vibrational band emission observed in many protostars, at least for sources of moderate CO v = 2-0 luminosity (approximately less than few x 10(exp 23) W). Rovibrational emissions from H2O and OH are also predicted to be luminous in dense molecular accretion shocks. Vaporization is the dominant mechanism of grain destruction within dense molecular shocks, leading to the efficient removal of those grains which are heated to their vaporization temperature by the combined effects of radiative heating, drag heating, and thermal heating by the hot postshock gas. The criteria for grain vaporization are obtained for grains composed of several different materials: metallic iron, silicate, troilite, refractory organic materials, volatile organic materials, and water ice.

Neufeld, David A.↗
NASA NTRS1995

A molecular line study of NGC 1333/IRAS 4

Molecular line surveys and fully sampled spectral line maps at 1.3 and 0.87 mm are used to examine the physical and chemical characteristics of the extreme Class I sources IRAS 4A and 4B in the L1450/NGC 1333 molecular cloud complex. A very well collimated, jetlike molecular flow emanates from IRAS 4A, with a dynamical age of a few thousand years. Symmetric, clumpy structure along the outflow lobes suggests that there is considerable variability in the mass-loss rate or wind velocity even at this young age. Molecular emission lines toward IRAS 4A and 4B are observed to be weak in the velocity range corresponding to quiescent material surrounding the young stellar objects (YSOs). Depletion factors of 10-20 are observed for all molecules, including CO, even for very conservative mass estimates from the measured millimeter and submillimeter dust continuum. However, abundance scaled with respect to CO are similar to other dark molecular cloud cores. Such depletions could be mimicked by high dust and optical depths or increased grain emissivities at the observing frequencies of 230 and 435 GHz, but the millimeter and submillimeter spectral energy distributions suggest that this is unlikely over the single-dish size scales of 5000-10,000 AU. Dense, outflowing gas is found to be kinematically, but not spatially, distinct from the quiescent material on these size scales. If CO is used as a chemical standard for the high-velocity gas, we find substantial enhancements in abundances of several molecules in outflowing material, most notably CS, SIO, and CH3OH. The SiO emission is kinematically well displaced from the bulk cloud velocity and likely arises from directly shocked material. As is the case for CO, however, the outflow features from more volatile species are centered near the cloud velocity and are often characterized by quite low rotational temperatures. We suggest that grain-grain collisions induced by velocity shear zones surrounding the outflow axes transiently desorb the grain mantles, resulting in large abundance enhancements of selected species. Similar results have recently been obtained in several other low-mass YSOs, where outflowing gas is often both kinematically and spatailly distinct, and are illustrative of the ability of accretion and outflow processes to simultaneously modify the composition of the gas and dust surrounding young stars.

Blake, Geoffrey A.↗
NASA NTRS1999

Autonomous Agents: The Origins and Co-Evolution of Reproducing Molecular Systems

The central aim of this award concerned an investigation into, and adequate formulation of, the concept of an "autonomous agent." If we consider a bacterium swimming upstream in a glucose gradient, we are willing to say of the bacterium that it is going to get food. That is, we are willing, and do, describe the bacterium as acting on its own behalf in an environment. All free living cells are, in this sense, autonomous agents. But the bacterium is "just" a set of molecules. We define an autonomous agent as a physical system able to act on its own behalf in an environment, then ask, "What must a physical system be to be an autonomous agent?" The tentative definition for a molecular autonomous agent is that it must be self-reproducing and carry out at least one thermodynamic work cycle. The work carried out in this grant involved, among other features, the development of a detailed model of a molecular autonomous agent, and study of the kinetics of this system. In particular, a molecular autonomous agent must, by the above tentative definition, not only reproduce, but must carry out at least one work cycle. I took, as a simple example of a self-reproducing molecular system, the single-stranded DNA hexamer 3'CCGCGG5' which can line up and ligate its two complementary trimers, 5'CCG3' and 5'CGG3'. But the two ligated trimers constitute the same molecular sequence in the 3' to 5' direction as the initial hexamer, hence this system is autocatalytic. On the other hand the above system is not yet an autonomous agent. At the minimum, autonomous agents, as I have defined them, are a new class of chemical reaction network. At a maximum, they may constitute a proper definition of life itself.

Kauffman, Stuart↗
NASA NTRS2000

Mechanical Properties of LaRC(tm) SI Polymer for a Range of Molecular Weights

Mechanical testing of an advanced polyimide resin (LaRC(tm)-SI) with known variations in molecular weight was performed over a range of temperatures below the glass transition temperature. Elastic and inelastic properties were characterized as a function of molecular weight and test temperature. It was shown that notched tensile strength is a strong function of both temperature and molecular weight, whereas stiffness is only a strong function of temperature. The combined analysis of calculated yield stress and notched tensile strength indicated that low molecular weight materials tended to fail in a brittle manner, whereas high molecular weight materials exhibited ductile failure. The microphotographs of the failure surfaces also supported these findings.

Whitley, Karen S.↗
NASA NTRS1997

Experimental indication of a naphthalene-base molecular aggregate for the carrier of the 2175 angstroms interstellar extinction feature

Experiments where the simple polycyclic aromatic hydrocarbon (PAH) naphthalene (C10H8) is subjected to the energetic environment of a plasma have resulted in the synthesis of a molecular aggregate that has ultraviolet spectral characteristics that suggest it provides insight into the nature of the carrier of the 2175 angstroms interstellar extinction feature and may be a laboratory analog. Ultraviolet, visible, infrared, and mass spectroscopy, along with gas chromatography, indicate that it is a molecular aggregate in which an aromatic double ring ("naphthalene") structural base serves as the electron "box" chromophore that gives rise to the envelope of the 2175 angstroms feature. This chromophore can also provide the peak of the feature or function as a mantle in concert with another peak provider such as graphite. The molecular base/chromophore manifests itself both as a structural component of an alkyl-aromatic polymer and as a substructure of hydrogenated PAH species. Its spectral and molecular characteristics are consistent with what is generally expected for a complex molecular aggregate that has a role as an interstellar constituent.

NASA Discipline Exobiology↗
NASA NTRS1998

The Use of Correlated k-Distributions to Account for the Radiative Effect of Molecular Absorption Upon Satellite Measured Radiances

Establishing the radiative effect of molecular absorption (emission) in the atmosphere is critical to the proper interpretation of satellite retrieved radiances. Without an accurate accounting for molecular absorption, the assignment of radiative transfer processes to observed radiative effects could be fraught errors. Moreover, since the spectral characteristics of molecular absorption can change quickly with wavenumber, the adaptation of climate model parameterizations has the potential to lead to dubious results unless the chosen spectral range corresponds closely to the response function of the satellite instrument. Thus, an initiative has been undertaken to construct parameterizations that will account for the molecular absorption found in the spectral ranges of several satellite radiometers. Because of its efficiency and accuracy in calculating the molecular absorption for nonhomogeneous paths, the correlated k-distribution procedure has proven to be the most effective parameterization (Fu and Liou, 1992, and Kratz, 1995). A further advantage of the correlated k- distribution procedure is its ability to be incorporated directly into multiple scattering routines that consider scattering, as well as absorption, by clouds and aerosol particles.

Kratz, David P.↗
NASA NTRS2005

Association of Presolar Grains with Molecular Cloud Material in IDPs

Anhydrous interplanetary dust particles (IDPs) collected in the stratosphere appear chemically, mineralogically, and texturally primitive in comparison to meteorites. Particles that escape significant atmospheric entry heating have highly unequilibrated mineralogy, are volatile element rich, and, overall, appear to have escaped significant parent body hydrothermal alteration. These IDPs are comprised of the building blocks of the solar system. The strongest evidence that anhydrous IDPs are primitive is that they contain abundant stardust and molecular cloud material. In particular, presolar silicates were first identified in IDPs and are present in abundances (450-5,500 ppm) that are well above that observed in primitive meteorites (less than 170 ppm). The most fragile (cluster) IDPs also commonly exhibit large H and N isotopic anomalies that likely originated by isotopic fractionation during extremely low temperature chemical reactions in a presolar cold molecular cloud. The D/H ratios exceed that of most primitive meteorites, and in rare cases reach values directly observed from simple gas phase molecules in cold molecular clouds. The most extreme D- and N-15-enrichments are usually observed at the finest spatial scales (0.5-2 microns) that can be measured. These observations suggest that D and N-15 hotspots are in fact preserved nuggets of molecular cloud material, and that the materials within them also have presolar origins. The advanced capabilities of the NanoSIMS ion microprobe now enable us to test this hypothesis. Here, we report two recent examples of presolar silicates found to be directly associated with molecular cloud material.

Messenger, S.↗
NASA NTRS1993

Copper crystallite in carbon molecular sieves for selective oxygen removal

Carbon molecular sieves modified by the incorporation of finely divided elemental copper useful for the selective sorption of oxygen at elevated temperatures. The carbon molecular sieves can be regenerated by reduction with hydrogen. The copper modified carbon molecular sieves are prepared by pyrolysis of a mixture of a copper-containing material and polyfurfuryl alcohol to form a sorbent precursor. The sorbent precursors are then heated and reduced to produce copper modified carbon molecular sieves. The copper modified carbon molecular sieves are useful for sorption of all concentrations of oxygen at temperatures up to about 200.degree. C. They are also useful for removal of trace amount of oxygen from gases at temperatures up to about 600.degree. C.

Sharma, Pramod K.↗
NASA NTRS1992

Copper modified carbon molecular sieves for selective oxygen removal

Carbon molecular sieves modified by the incorporation of finely divided elemental copper useful for the selective sorption of oxygen at elevated temperatures. The carbon molecular sieves can be regenerated by reduction with hydrogen. The copper modified carbon molecular sieves are prepared by pyrolysis of a mixture of a copper-containing material and polyfunctional alcohol to form a sorbent precursor. The sorbent precursors are then heated and reduced to produce copper modified carbon molecular sieves. The copper modified carbon molecular sieves are useful for sorption of all concentrations of oxygen at temperatures up to about 200.degree. C. They are also useful for removal of trace amount of oxygen from gases at temperatures up to about 600.degree. C.

Sharma, Pramod K.↗
NASA NTRS2008

Saturn Magnetospheric Impact on Surface Molecular Chemistry and Astrobiological Potential of Enceladus

The active south polar surface of Enceladus is exposed to strong chemical processing by direct interaction with charged plasma and energetic particles in the local magnetospheric environment of this icy moon. Chemical oxidation activity is suggested by detection of H202 at the surface in this region and less directly by substantial presence of C02, CO, and N2 in the plume gases. Molecular composition of the uppermost surface, including ejecta from plume activity, is radiolytically transformed mostly by penetrating energetic electrons with lesser effects from more depleted populations of energetic protons. The main sources of molecular plasma ions and E-ring dust grains in the magnetospheric environment are the cryovolcanic plume emissions from Enceladus. These molecular ions and the dust grains are chemically processed by magnetospheric interactions that further impact surface chemistry on return to Enceladus. For example, H20 neutrals dominating the emitted plume gas return to the surface mostly as H30+ ions after magnetospheric processing. Surface oxidant loading is further increased by return of radiolytically processed ice grains from the E-ring. Plume frost deposition and micrometeoroid gardening protect some fraction of newly produced molecular species from destruction by further irradiation. The evident horizontal and vertical mobility of surface ices in the south polar region drive mixing of these processed materials into the moon interior with potential impacts on deep ice molecular chemistry and plume gas production. Similarly as suggested previously for Europa, the externally driven source of radiolytic oxidants could affect evolution of life in any subsurface liquid water environments of Enceladus.

Cooper, Paul D.↗
NASA NTRS2019

A Preliminary Study on the Use of a NASA Developed Coatings Technology for Protecting Natural Science Collections from Molecular Contaminants

Many museum conservators and collection managers are faced with the challenge of molecular contaminants that can promote the degradation of specimens on display in exhibits or in cabinets at storage facilities. This has prompted the need to explore innovative techniques to alleviate the presence of chemical species that originate from atmospheric off-gassing of materials or cross-contamination among collection items. For example, the Smithsonian Institution's National Museum of Natural History (NMNH) has tackled this problem for many years, specifically targeting contaminants, such as mercury vapor, at its Museum Support Center (MSC) storage facility in Suitland, Maryland. Similarly, the presence of molecular contaminants poses a significant threat for NASA science and exploration missions. The deposition of chemical species on sensitive surfaces can degrade the performance and operational lifetime of satellites, telescopes, and instruments. As a result, a sprayable zeolite-based coatings technology was designed to passively capture molecular contaminants and reduce the risks associated with material outgassing in vacuum environments for aerospace applications. This technology, called the Molecular Adsorber Coating (MAC), was developed at NASA Goddard Space Flight Center (GSFC). MAC has been extensively used during thermal vacuum chamber testing of various spaceflight hardware and components, such as for the James Webb Space Telescope (JWST). The coating is also planned to fly aboard upcoming NASA missions to address on-orbit outgassing concerns within instrument and laser cavities. Recently, the MAC technology was evaluated as a possible solution for protecting the Smithsonian Institution's natural science specimens, specifically its mineral ore and botany collections at the MSC storage facility. The initial year-long study between NASA GSFC and NMNH involved investigating the effectiveness of the MAC technology in capturing molecular contaminants that are present within the collections and storage cabinets at ambient, non-vacuum conditions. The work included sample fabrication, installation and retrieval efforts, testing efforts and associated challenges, preliminary findings, and future plans for the multi-year project.

conservation↗
NASA NTRS2019

High-Resolution Mid-Infrared Molecular Line Survey of the Orion Hot Core

The basic building blocks of life are synthesized in space as part of the natural stellar evolutionary cycle, whereby elements ejected into the interstellar medium by dying stars are incorporated back into the dense clouds, which form the next generation of stars and planets. The formation of stars and planets are fundamental to the evolution of matter in the Universe as complex molecules are created and destroyed during this step. Understanding these processes will allow us to answer “What is the relation between the molecules we see in the ISM and the molecular inventory of Earth and the terrestrial planets in the Solar System?” Measuring and cataloging the inventory of organic molecules and understanding their evolution requires observations over a broad wavelength range (IR, MIR, FIR, (sub)mm, and radio) to cover all stages of this evolutionary cycle needed to link interstellar material to that delivered to planets. High-resolution molecular line surveys provide chemical inventories for star forming regions and are essential for studying their chemistry, kinematics and physical conditions. Previous high spectral resolution surveys have been limited to radio, sub-mm and FIR wavelengths; however, Mid-infrared observations are the only way to study symmetric molecules that have no dipole moment and thus cannot be detected in the (sub)mm line surveys from ALMA. Past midinfrared missions such as ISO and Spitzer had low to moderate resolving power that were only able to link broad features with particular molecular bands and could not resolve the individual rovibrational transitions. JWST will provide exceptional sensitivity in the MIR, but will also not have sufficient spectral resolution, which can lead to confusion in identifying the contribution from strong to moderate strength molecular species. We present new results from an on-going high resolution (R ~ 60,000) line survey of the Orion hot core between 12.5 - 28.3 μm and 7 - 8 μm, using the EXES instrument on the SOFIA airborne observatory. SOFIA's higher-resolution and smaller beam compared to ISO allows us to spatially and spectrally isolate the emission towards the hot core. This survey will provide the best infrared measurements (to date) of molecular column densities and physical conditions, providing strong constraints on the current chemical network models for star forming regions. This survey will greatly enhance the inventory of resolved line features in the MIR, making it an invaluable reference to be used by the JWST and ALMA scientific communities.

Rangwala, Naseem↗
NASA NTRS2026

Molecular Inventory and Comparative Organic Profiling of A Homogenized Aggregate Sample From Asteroid (101955) Bennu

Evaluating the distribution and diversity of solvent-soluble organic molecules in extraterrestrial materials provide information about the physicochemical environments where prebiotic chemistry occurred and is essential for assessing the inventory of prebiotic compounds available to the early Earth. In this work, we conducted a comprehensive molecular characterization of solvent-soluble organic compounds in a homogenized aggregate sample (ID: OREX-800107-128) of unsorted regolith from asteroid (101955) Bennu returned by NASA’s OSIRIS-REx mission. Using two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry (GC×GC-HRMS), we identified 87 organic compounds across several molecular classes, including alkanes, polycyclic aromatic hydrocarbons, and nitrogen-, oxygen-, and sulfur-bearing species. Comparison with the organic inventory of CI (Orgueil), C2-ungrouped (Tagish Lake and Tarda), and CM2 (Murchison) carbonaceous chondrites revealed that Bennu sample OREX-800107-128 is most similar to Tagish Lake and Tarda yet compositionally distinct from all of these meteorites. This Bennu sample exhibits a relatively high abundance of low-molecular-weight aromatics (e.g., toluene), pyridine derivatives, and sulfur species such as dimethyl sulfite, consistent with episodic low-temperature aqueous alteration. The presence of these organic compounds suggests that this material experienced chemically diverse processes in the parent body conducive to complex organic synthesis, including aldol condensation reactions responsible for N- and O-bearing compounds. We also compared the molecular distributions of this Bennu sample and previously analyzed samples from (162173) Ryugu to assess potential common origins between these two carbonaceous asteroids. Bennu shows more chemically diverse and nitrogen-rich organic materials than Ryugu. While both asteroids share broadly similar primitive compositions, the observed chemical differences indicate distinct evolutionary histories within a likely common formation environment though whether Bennu and Ryugu derive from a single compositionally heterogeneous parent body or from multiple closely related progenitors remains unresolved. Further detailed comparative analyses of material from Bennu, Ryugu, and specific carbonaceous meteorites (e.g., Tagish Lake and Tarda) will provide new insights into how the N-rich molecular profile observed in Bennu samples was formed and evolved in the outer Solar System.

sample return↗