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At least 253 records · Page 14

n-Propylbenzene Droplet Combustion: Experiments and Numerical Modeling

n-Propylbenzene (PB, C9H12, 432K boiling point) is important as a constituent in surrogates for some transportation fuels but little is understood about its droplet burning characteristics. We present an experimental and numerical study of a fuel droplet burning under conditions where the sole means of gas transport is fuel evaporation at the droplet surface thereby creating a one-dimensional gas transport that is amenable to detailed numerical modeling. The one-dimensional gas transport that results is amenable to detailed numerical modeling. Initial droplet diameters (Do) ranged from 0.3 mm to about 5 mm to better understand the mechanisms that control burning over such a wide range of Do. For Do < 1 mm droplets were burned while anchored to 14 m SiC fibers within a sealed container in free-fall during which time the droplets were ignited by spark discharge and the burning process recorded by video cameras. Larger and free-floating droplets were studied in the spaced-based platform of the orbiting International Space Station for Do > 1.0 mm which provided unlimited times for experimental observation. Measurements of droplet, flame and soot shell diameters were made and are discussed in the presentation. The experimental results showed formation of optically thick soot clouds developing during burning that required a robust image analysis algorithm to enable measurement of droplet diameter. The measured droplet diameters were well predicted by a numerical model that included soot formation, a PB kinetic mechanism comprising 576 species and 27369 reactions, unsteady gas and liquid transport, variable properties and radiative transport. Flame diameters showed more variability compared to the simulations, depending on how the flame was defined (peak gas temperature and OH concentration). Droplets burned slower as Do was increased and the PB sooting propensity increased with Do. Flame extinction was observed for Do > 3.3 mm indicating a strong effect of radiation as Do was increased compared to the smaller droplet diameters examined where extinction was not experimentally observed. For the largest droplets examined the possibility that the observed extinction is indicative of a transition to cool flame burning is still under investigation.

Guo, Songtao↗

Depletions and extinction curves for lines of sight through the outer edges of truly dense molecular clouds

Observations of a few moderately reddened (0.3 is less than E(B-V) is less than 0.6) lines of sight through the outer edges of truly dense molecular clouds, not only show the overall depletions in these clouds to be as much as 0.5 (dex) greater than in comparably reddened diffuse clouds, but reveal a possible tendency for certain species to deplete preferentially. Possible methods of depletions are discussed.

Joseph, C. L.↗

Simulations of n -dodecane/oxygen/nitrogen cellular detonations

In this work, two-dimensional n-dodecane/air/nitrogen cellular detonations are simulated with various equivalence ratios (ERs). A skeletal mechanism consisting of 54 species and 269 reactions is used. The lower and upper equivalence ratio boundaries for self-sustained detonation are 0.3 and 2.2, respectively. Detonation with different regimes characterized by the detonation cell patterns is observed, which aligns well with the category based on the stability parameter, i.e., weakly and highly unstable detonations, and extinction. Further, in terms of the frontal structure, non-negligible effect of diffusion on the cellular detonation is revealed, especially in the vicinity of the leading shock front. In highly unstable and quenched detonations, the alternation in reaction pathway within the induction zone accounts for the changes of detonation dynamics, such as the absence or extended sequence of important radical formation, e.g., OH. In addition, the composition of the unburned pockets depends on both pocket location from the leading shock front and the ER in the fresh mixture, because the former determines the residence time, whilst the latter affects the pocket reaction rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultraviolet observations of interstellar molecules and grains from Spacelab

The paper presents observational results obtained on interstellar grains and molecules and suggests promising areas for Spacelab research. Regarding grains, useful data can be expected on the shape of the ultraviolet extinction curve for new interstellar regions, on the nature of UV extinction at short wavelengths, the presence of structure in the UV extinction curve comparable to the visible-wavelength diffuse bands, and the polarization properties of grains in UV wavelengths. The advances in observations of molecules will include the ability to prove more heavily-obscured regions, coverage of wavelength regions inadequately studied with previous instruments, and the capability of observing in optical absorption species detected in the same line of sight in radio emission.

Snow, T. P., Jr.↗

Infrared Emission From Interstellar PAHs, New Probes of the Interstellar Medium

Tremendous strides have been made in the understanding of interstellar material over the past twenty years thanks to significant, parallel developments in two closely related areas: observational IR astronomy and laboratory astrophysics. Twenty years ago the composition of interstellar dust was largely unknown and the notion of abundant, gas phase, polycyclic aromatic hydrocarbons (PAHs) anywhere in the interstellar medium (ISM) considered impossible. Today the dust composition of the diffuse and dense ISM is reasonably well constrained and the spectroscopic case for interstellar PAHs, impossibly large molecules by early interstellar chemistry standards, is very strong. PAH spectral features are now being used as new probes of the ISM. PAH ionization states reflect the ionization balance of the medium while PAH size and structure reflect the energetic and chemical history of the medium. Aromatic carbon-rich materials ranging in size from PAHs and PAH nanoclusters, to sub-micron and micron-sized dust grains represent an important component of the ISM. These species: (1) dominate the heating and cooling of interstellar clouds via energetic photoelectron ejection and infrared (IR) emission; (2) moderate the ionization balance in photodissociation regions and molecular clouds; (3) moderate the composition of the gas phase and play an important role in determining the chemistry of the ISM; (4) contribute to the interstellar extinction in the near IR, visible, and UV spectral regions; and (5) convert UV, visible, and near-IR radiation to mid- and far-IR radiation in the ISM and, as such, are responsible for the well known, widespread family of mid-IR emission features with major components near 3.3, 6.2, 7.7, 8.6, and 11.3 microns.

Hudgins, D. M.↗

Comparison of in situ aerosol measurements with SAGE 2 and SAM 2 aerosol measurements during the airborne Antarctic ozone experiment

Models indicate that stratospheric aerosols play a major role in the destruction of ozone during the Austral winter. Although many in situ measurements of stratospheric aerosols were made during the Airborne Antarctic Ozone Experiment, changes of aerosol concentration and size distributions across the polar vortex are important to understanding changes of chemical species taking place during this time. Therefore comparing the in situ measurements with measurements made by satellites scanning wider areas will give a clearer picture of the possible role played by aerosols during this period. The wire impactor size distributions are compared to those from the aerosol spectrometers and a best fit size distribution determined. Aerosol extinctions are calculated from the in situ measurements and compared to the extinctions measured by the satellites. Five comparisons are made with SAGE 2 and four with SAM 2. Extinctions agree as close as a factor of two.

Ferry, G. V.↗

Impact-induced devolatilization of CaSO4 anhydrite and implications for K-T extinctions: Preliminary results

The recent suggestions that the target area for the K-T bolide may have been a sulfate-rich evaporite and that the resulting sulfuric acid-rich aerosol was responsible for the subsequent cooling of the Earth and the resulting biological extinctions has prompted us to experimentally examine the impact-induced devolatization of the sulfate minerals anhydrite (CaSO4) and gypsum (CaSO4(2H2O)). Preliminary results for anhydrite are reported. Up to 42 GPa peak shock pressure, little or no devolatilization occurs, consistent with chemical thermodynamic calculations. Calculation of the influence of the partial pressure of the gas species on impact-induced devolatilization suggests that an even greater amount of sulfur than that proposed by Brett could have been released to the atmosphere by an impact into a sulfate-rich layer. Solid recovery, impact-induced devolatilization experiments were performed on the Caltech 20mm gun using vented, stainless steel sample assemblies.

Tyburczy, James A.↗

The terminal Eocene event - Formation of a ring system around the earth

It is suggested that the formation of a ring system about the earth by particles and debris related to the North American strewn tektite field is responsible for the terminal Eocene event of 34 million years ago, in which severe climatic changes accompanied by widespread biological extinctions occurred. Botanical data is cited which implies a 20-C decrease in winter temperature with no change in summer temperature, and evidence of the correlation of the North American tektite fall, which is estimated to have a total mass of 10 to the 9th to 10 to the 10th tons, with the disappearance of five of the most abundant species of radiolaria is presented. The possible connection between the tektites and climatic change is argued to result from the screening of sunlight by an equatorial ring of trapped particles of extraterrestrial origin in geocentric orbit which would cut off sunlight only in the winter months. Such a ring, located at a distance of between 1.5 and 2.5 earth radii (the Roche limit) is estimated to have a lifetime of a few million years.

Okeefe, J. A.↗

Theoretical Basis for Estimated Test Times and Conditions for Drop Tower and Space-Based Droplet Burning Experiments With Methanol and N-Heptane

In order to develop an extensive envelope of test conditions for NASA's space-based Droplet Combustion Experiment (DCE) as well those droplet experiments which can be performed using a drop tower, the transient vaporization and combustion of methanol and n-heptane droplets were simulated using a recently developed fully time-dependent, spherically symmetric droplet combustion model. The transient vaporization of methanol and n-heptane was modeled to characterize the instantaneous gas phase composition surrounding the droplet prior to the introduction of an ignition source. The results for methanol/air showed that the entire gas phase surrounding a 2 mm methanol droplet deployed in zero-g .quickly falls outside the lean flammability limit. The gas phase surrounding an identically-sized n-heptane droplet, on the other hand, remains flammable. The combustion of methanol was then modeled considering a detailed gas phase chemical kinetic mechanism (168 steps, 26 species) and the effect of the dissolution of flame-generated water into the liquid droplet. These results were used to determine the critical ignition diameter required to achieve quasi-steady droplet combustion in a given oxidizing environment. For droplet diameters greater than the critical ignition diameter, the model predicted a finite diameter at which the flame would extinguish. These extinction diameters were found to vary significantly with initial droplet diameter. This phenomenon appears to be unique to the transient heat transfer, mass transfer and chemical kinetics of the system and thus has not been reported elsewhere to date. The extinction diameter was also shown to vary significantly with the liquid phase Lewis number since the amount of water present in the droplet at extinction is largely governed by the rate at which water is transported into the droplet via mass diffusion. Finally, the numerical results for n-heptane combustion were obtained using both 2 step and 96 step semi-emperical chemical kinetic mechanisms. Neither mechanism exhibited the variation of extinction diameter with initial diameter.

Marchese, Anthony J.↗

Measuring Metapopulation Characteristics of the Southeastern Beach Mouse on Kennedy Space Center using a Dynamic Habitat Occupancy Approach

The Cape Canaveral Barrier Island Complex (CCBIC) represents the largest (72 km) continuous coastal habitat supporting the core population of the threatened southeastern beach mouse (Peromyscus polionotus niveiventris) in Florida. Despite protection throughout the subspecies’ remaining range, storm activity during the past two decades has de-stabilized coastal dune and coastal strand habitat required for beach mouse survival. Our long-term goal is to provide information to the management process to ensure a sustainable population on the CCBIC in light of sea-level rise, extreme storm events, and continued land development supporting the multi-user spaceport.Because beach mice populations are affected by storms (hurricanes, tropical storms, nor’easters), it is important to understand the species-habitat relations during periods with and without storm impacts. Conventional wisdom is that coastal dune and coastal strand are the preferred habitats, but coastal scrub habitat may be important because it is less affected by storm impacts (e.g., overwash, escarpment, sand deposition, etc.) and thus may serve as a refugia. In addition, genetic studies have shown some evidence for reduced dispersal between regions on CCBIC (Kalkvik et al., 2012; Zimmerman et al., 2015). We compared site occupancy dynamics for coastal dune, coastal strand, and coastal scrub habitat over three quarters (seasons) and determined the pattern of spatial correlation in habitat occupancy dynamics for locations at a range of distances in coastal dune, coastal strand, and coastal scrub habitats along the Kennedy Space Center (KSC) coastline (Figures1 and 2). Although habitat occupancy is very useful for understanding species-habitat relationships,in its simplest form it ignores differences in abundance between sites. Because information on abundance may inform management efforts and provide knowledge regarding status of the population, we tested measuring abundance state based on the number of detections in tracking tubes. Small mammal populations often fluctuate in a cyclic manner over time. These fluctuations make populations more susceptible to extinction and make trend detection more difficult. Efficient methods of measuring abundance across time and space are needed for monitoring trends.The purpose of this project was to:1.Estimate southeastern beach mouse habitat occupancy parameters in coastal dune, coastal strand, and coastal scrub habitats using a combination of tracking tubes and traps; 2.Model the spatial relationships of the effect of habitat (coastal dune, coastal strand, and coastal scrub) on parameters as a function of distance; and 3.Compare the reliability and efficiency of our survey methods and evaluate the potential to develop an abundance index.

Eric Douglas Stolen↗

Antarctic measurements of ozone, water vapor, and aerosol extinction by Sage 2 in the spring of 1987

Recent measurements of ozone, water vapor, and aerosol extinction from the spring of 1987 are presented and compared to 1985 and 1986. The observed changes to variations in meteorological conditions in the vortex for these three years are noted. March ozone data at similar latitudes for these three years will be used to investigate coupling between severity of the springtime depletion and early fall values. Researchers also investigate correlations between the measured species of water vapor, ozone, and aerosols throughout the vortex region.

Larsen, J. C.↗

In-Situ Measurements of Aerosol Optical Properties using New Cavity Ring-Down and Photoacoustics Instruments and Comparison with more Traditional Techniques

Carbonaceous species (BC and OC) are responsible for most of the absorption associated with aerosol particles. The amount of radiant energy an aerosol absorbs has profound effects on climate and air quality. It is ironic that aerosol absorption coefficient is one of the most difficult aerosol properties to measure. A new cavity ring-down (CRD) instrument, called Cadenza (NASA-ARC), measures the aerosol extinction coefficient for 675 nm and 1550 nm light, and simultaneously measures the scattering coefficient at 675 nm. Absorption coefficient is obtained from the difference of measured extinction and scattering within the instrument. Aerosol absorption coefficient is also measured by a photoacoustic (PA) instrument (DRI) that was operated on an aircraft for the first time during the DOE Aerosol Intensive Operating Period (IOP). This paper will report on measurements made with this new instrument and other in-situ instruments during two field recent field studies. The first field study was an airborne cam;oaign, the DOE Aerosol Intensive Operating Period flown in May, 2003 over northern Oklahoma. One of the main purposes of the IOP was to assess our ability to measure extinction and absorption coefficient in situ. This paper compares measurements of these aerosol optical properties made by the CRD, PA, nephelometer, and Particle Soot Absorption Photometer (PSAP) aboard the CIRPAS Twin-Otter. During the IOP, several significant aerosol layers were sampled aloft. These layers are identified in the remote (AATS-14) as well as in situ measurements. Extinction profiles measured by Cadenza are compared to those derived from the Ames Airborne Tracking Sunphotometer (AATS-14, NASA-ARC). The regional radiative impact of these layers is assessed by using the measured aerosol optical properties in a radiative transfer model. The second study was conducted in the Caldecott Tunnel, a heavily-used tunnel located north of San Francisco, Ca. The aerosol sampled in this study was characterized by fresh automobile and diesel exhaust. Measurements from Cadenza and from an aethalometer are presented. The aethalometer is a filter-based photometer and the infrared channel is calibrated to produce a measure of BC mass loading.

Strawa, A. W.↗

The evolution of HCO + in molecular clouds using a novel chemical post-processing algorithm

Modelling the chemistry of molecular clouds is critical to accurately simulating their evolution. To reduce computational cost, 3D simulations generally restrict their chemistry to species with strong heating and cooling effects. Time-dependent information about the evolution of other species is therefore often neglected. We address this gap by post-processing tracer particles in the SILCC-Zoom molecular cloud simulations. Using a chemical network of 39 species and 301 reactions (including freeze-out of CO and H 2 O) and a novel algorithm to reconstruct a density grid from sparse tracer particle data, we produce time-dependent density distributions for various species. We focus upon the evolution of HCO + , which is a critical formation reactant of CO but is not typically modelled on the fly. We find that ∼ 90 per cent of the HCO + content of the cold molecular gas forms in situ around n HCO + ∼ 10 3 –10 4 cm −3 , over a time-scale of approximately 1 Myr. The remaining ∼ 10 per cent forms at high extinction sites, with minimal turbulent mixing out into the less dense gas. We further show that the dominant HCO + formation pathway is dependent on the visual extinction, with the reaction H 3 + + CO contributing 90 per cent of the total HCO + production above A V, 3D = 3. We produce the very first maps of the HCO + column density, N(HCO + ), and show that it reaches values as high as 10 15 cm −2 . We find that 50 per cent of the HCO + mass is located within AV ∼ 10–30 in a density range of 10 3.5 –10 4.5 cm −3 . Our maps of N(HCO + ) are shown to be in good agreement with recent observations of the W49A star-forming region.

79 ASTRONOMY AND ASTROPHYSICS↗

Electronic and optical properties of plutonium metal and oxides from Reflection Electron Energy Loss Spectroscopy

Reflection Electron Energy Loss Spectra (REELS) have been acquired on plutonium δ-Pu-Ga alloys, α-Pu 2 O 3 and PuO 2 . The position of the peaks attributable to the Pu 6p excitation can be used as ‘fingerprint’ for these species. X-ray Photoelectron Spectroscopy has been used to aid interpretation of the REELS spectra. The band gap of PuO 2 was determined from the onset of the energy loss in the REELS spectrum. The REELS data have been evaluated within the dielectric response theory by means of the QUEELS-ε(k, w)-REELS software. In this work, the Energy Loss Function, dielectric function, refractive index and extinction coefficient for these materials have been determined in the ultraviolet and extreme ultraviolet range and are compared to previously reported results.

36 MATERIALS SCIENCE↗

Diffuse interstellar band formation in dense clouds

Measurements of the strengths of the diffuse interstellar bands at 4430, 5780 and 5797 A show that the bands tend to be weak with respect to extinction in dense interstellar clouds. Data on 10 stars in the rho Ophiuchi cloud complex show further that the diffuse band-producing efficiency of the grains decreases systematically with increasing grain size. It is concluded that the diffuse bands are not formed in the mantles which accrete on the grains in interstellar clouds, but that they could be produced in the cores of grains or in some molecular species.

Snow, T. P., Jr.↗

Interstellar Polycyclic Aromatic Compounds and Astrophysics

Polycyclic aromatic compounds (PACs), a class of organic molecules whose structures are characterized by the presence of two or more fused aromatic rings, have been the subject of astrophysical interest for nearly two decades. Large by interstellar standards (from as few as 20 to perhaps as many as several hundred atoms), it has been suggested that these species are among the most abundant interstellar molecules impacting a wide range of astrophysical phenomena including: the ubiquitous family of infrared emission bands observed in an ever-increasing assortment of astronomical objects; the subtle but rich array of discrete visible/near-infrared interstellar molecular absorption features known as the diffuse interstellar bands (DIBs); the broad near-infrared quasi-continuum observed in a number of nebulae known as excess red emission (ERE); the interstellar ultraviolet extinction curve and broad '2200 Angstrom bump'; the heating/cooling mechanisms of interstellar clouds. Nevertheless, until recently a lack of good-quality laboratory spectroscopic data on PACs under astrophysically relevant conditions (i.e. isolated, ionized molecules; ionized molecular clusters, etc.) has hindered critical evaluation and extension of this model

Hodgins, Douglas M.↗

Laboratory Astrophysics: The Universe in the Palm of Your Hand

Polycyclic aromatic compounds (PACs), a class of organic molecules whose structures are characterized by the presence of two or more fused aromatic rings, have been the subject of astrophysical interest for nearly two decades. Large by interstellar standards (from as few as 20 to perhaps as many as several hundred atoms), it has been suggested that these species are among the most abundant interstellar molecules impacting a wide range of astrophysical phenomena including: (1) the ubiquitous family of infrared emission bands observed in an ever-increasing assortment of astronomical objects; (2) the subtle but rich array of discrete visible/near-infrared interstellar molecular absorption features known as the diffuse interstellar bands (DIBs); (3) the broad near-infrared quasi-continuum observed in a number of nebulae known as excess red emission (ERE); (4) the interstellar ultraviolet extinction curve and broad '2200 Angstrom bump'; and (5) the heating/cooling mechanisms of interstellar clouds. Nevertheless, until recently a lack of good-quality laboratory spectroscopic data on PACs under astrophysically relevant conditions (i.e. isolated, ionized molecules, ionized molecular clusters, etc.) has hindered critical evaluation and extension of this model. Fortunately, the last decade has seen an explosion of experimental and theoretical techniques aimed specifically at addressing these issues. Indeed, many of these techniques will be explored in the series of talks which constitute this forum. This talk will provide an overview of the studies of the spectroscopic properties of isolated, neutral, and ionized PACs that have been conducted in the Astrochemistry Laboratory at NASA Ames, together with a consideration of their implications for astrophysics. Particular attention will be paid to models of the interstellar infrared emission spectra generated using the available database of laboratory PAC infrared spectra and the natural ability of this database to accommodate the variations observed in the astronomical spectra. Such models provide insight into the structure, abundance, and ionization state of the interstellar PAC population and, in turn, provide direct insight into the processes of carbon nucleation, growth and evolution as matter is processed through the interstellar medium. These models will be followed by a more in depth look at some specific aspects of the interstellar infrared emission spectrum, considering both what we can learn about them and what we can learn from them. Finally, some of the limitations of the current model and the available spectroscopic dataset will be 'dered along with future experimental directions designed to address these shortcomings. Further information about this and the related areas of research currently ongoing in the Astrochemistry Laboratory can be found at our world wide web site. http://www-space.arc.nasa.gov/(tilda)astrochem

Hudgins, Douglas M.↗

Flame-Vortex Studies to Quantify Markstein Numbers Needed to Model Flame Extinction Limits

This has quantified a database of Markstein numbers for unsteady flames; future work will quantify a database of flame extinction limits for unsteady conditions. Unsteady extinction limits have not been documented previously; both a stretch rate and a residence time must be measured, since extinction requires that the stretch rate be sufficiently large for a sufficiently long residence time. Ma was measured for an inwardly-propagating flame (IPF) that is negatively-stretched under microgravity conditions. Computations also were performed using RUN-1DL to explain the measurements. The Markstein number of an inwardly-propagating flame, for both the microgravity experiment and the computations, is significantly larger than that of an outwardy-propagating flame. The computed profiles of the various species within the flame suggest reasons. Computed hydrogen concentrations build up ahead of the IPF but not the OPF. Understanding was gained by running the computations for both simplified and full-chemistry conditions. Numerical Simulations. To explain the experimental findings, numerical simulations of both inwardly and outwardly propagating spherical flames (with complex chemistry) were generated using the RUN-1DL code, which includes 16 species and 46 reactions.

Driscoll, James F.↗