Engineering topics

Tielens, Alexander G. G. M.

Publications and source records attributed to Tielens, Alexander G. G. M..

At least 19 records

NASA NTRS2018

High-resolution SOFIA/EXES Spectroscopy of SO2 Gas in the Massive Young Stellar Object MonR2 IRS3: Implications for the Sulfur Budget

Sulfur has been observed to be severely depleted in dense clouds leading to uncertainty in the molecules that contain it and the chemistry behind their evolution. Here, we aim to shed light on the sulfur chemistry in young stellar objects (YSOs) by using high-resolution infrared spectroscopy of absorption by the ν3 rovibrational band of SO2 obtained with the Echelon-Cross-Echelle Spectrograph on the Stratospheric Observatory for Infrared Astronomy. Using local thermodynamic equilibrium models we derive physical parameters for the SO2 gas in the massive YSO MonR2 IRS3. This yields a SO2/H abundance lower limit of 5.6 ± 0.5 × 10(exp -7), or >4% of the cosmic sulfur budget, and an intrinsic line width (Doppler parameter) of b < 3.20 km s(exp -1). The small line widths and high temperature (Tex = 234 ± 15 K) locate the gas in a relatively quiescent region near the YSO, presumably in the hot core where ices have evaporated. This sublimation unlocks a volatile sulfur reservoir (e.g., sulfur allotropes as detected abundantly in comet 67P/Churyumov–Gerasimenko), which is followed by SO2 formation by warm, dense gas-phase chemistry. The narrowness of the lines makes formation of SO2 from sulfur sputtered off grains in shocks less likely toward MonR2 IRS3.

Infrared ISM↗

NASA NTRS2017

High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3-micrometers Region: Role of Periphery

In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3-micrometers absorption band. To this purpose we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 per cm range. The experimental spectra are compared with standard harmonic calculations, and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3-micrometers region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive dataset of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly-condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3-micrometers band, and on features such as the two-component emission character of this band and the 3-micrometers emission plateau.

techniques: spectroscopic↗

NASA NTRS2016

High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons: The Realm of Anharmonicity

We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3 micrometers CH stretching region of Polycyclic Aromatic Hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold ((is) approximately 4K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions enhanced with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main modes that fall within 0.5% of the experimental frequencies. The implications for the Aromatic Infrared Bands, specifically the 3-m band are discussed.

Astrochemistry↗

NASA NTRS2016

Electronically Excited States of Anistropically Extended Singly-Deprotonated PAH Anions

Polycyclic Aromatic Hydrocarbons (PAHs) play a significant role in the chemistry of the interstellar medium (ISM) as well as in hydrocarbon combustion. These molecules can have high levels of diversity with the inclusion of heteroatoms and the addition or removal of hydrogens to form charged or radical species. There is an abundance of data on the cationic forms of these molecules, but there have been many fewer studies on the anionic species. The present study focuses on the anionic forms of deprotonated PAHs. It has been shown in previous work that PAHs containing nitrogen heteroatoms (PANHs) have the ability to form valence excited states giving anions electronic absorption features. This work analyzes how the isoelectronic pure PAHs behave under similar structural constructions. Singly-deprotonated forms of benzene, naphthalene, anthracene, and teteracene classes are examined. None of the neutral-radicals possess dipole moments large enough to support dipole-bound excited states in their corresponding closed-shell anions. Even though the PANH anion derivatives support valence excited states for three-ringed structures, it is not until four-ringed structures of the pure PAH anion derivatives that valence excited states are exhibited. However, anisotropically-extended PAHs larger than tetracene will likely exhibit valence excited states. The relative energies for the anion isomers are very small for all of the systems in this study.

Theis, Mallory L.↗

NASA NTRS2000

Chemical Evolution of Protostellar Matter

We review the chemical processes that are important in the evolution from a molecular cloud core to a protostellar disk. These cover both gas phase and gas grain interactions. The current observational and theoretical state of this field are discussed.

Langer, William D.↗

NASA NTRS1997

New Dust Features Observed with ISO

This paper will review our current knowledge of circumstellar and interstellar dust with the emphasis on infrared spectroscopy with ISO. Objects embedded in or located behind molecular clouds show a wealth of absorption features due to simple molecules in an icy mantle. The SWS on ISO has provided us, for the first time, with complete 3-45 um spectra which allow an inventory of interstellar ice. Among the species identified are H2O, CH3OH, CH4, CO2, CO, and OCS. These species are formed through simple reactions among gas phase species accreted on grain surfaces, possibly modified by FUV photolysis and warm-up (ie., outgassing). The implications of the observations for our understanding of these processes will be reviewed. The IR spectra of many UV bright objects are dominated by strong emission features at 3.3, 6.2, 7.7, and 11.3 micrometers. These are generally attributed to Polycyclic Aromatic Hydrocarbons (PAHs) molecules. The observational evidence will be reviewed. The emphasis will be on recent data which show widespread spectral variations, particularly among protoplanetary and planetary nebulae, and their implications. One of the most exciting, recent discoveries on interstellar and circumstellar dust has been the detection of spectral structure due to crystalline olivine and enstatite in a variety of objects surrounded by circumstellar silicates. These spectra will be reviewed and circumstellar silicate mineralogy will be discussed.

Tielens, Alexander G. G. M.↗

NASA NTRS1996

Catalysis by Dust Grains in the Solar Nebula

In order to determine whether grain-catalyzed reactions played an important role in the chemistry of the solar nebula, we have applied our time-dependent model of methane formation via Fischer-Tropsch catalysis to pressures from 10(exp -5) to 1 bar and temperatures from 450 to 650 K. Under these physical conditions, the reaction 3H2 + CO yields CH4 + H2O is readily catalyzed by an iron or nickel surface, whereas the same reaction is kinetically inhibited in the gas phase. Our model results indicate that under certain nebular conditions, conversion of CO to methane could be extremely efficient in the presence of iron-nickel dust grains over timescales very short compared to the lifetime of the solar nebula.

Kress, Monika E.↗

NASA NTRS1996

Observations of Ices in Star-Forming Regions

Ground-based, air-borne, and space-based infrared spectra of protostars show prominent absorption features at 3.08, 3.54, 4.23, 4.67, 4.9, 6.0, 6.85, and 7.6 micrometers. These features are due to simple molecules such as H2O, CH3OH, CO2, CO, OCS, and CH4 in accreted icy grain mantles. These studies have revealed the presence of several independent ice components, often along the same line of sight. The observations and proposed identifications will be reviewed with the emphasis on recent results from ISO and on the organic inventory of interstellar ices. These molecular grain mantles are thought to form by accretion and reaction of gas phase species on a grain surface. Observed abundances will be compared with theoretical calculations and the important grain surface routes will be delineated. The importance of the 'diffusion' limit will be emphasized.

Tielens, Alexander G. G. M.↗

NASA NTRS1995

The Interstellar Medium

The Interstellar Medium (ISM) forms an integral part of the lifecycle of stars and the galaxy. Stars are formed by gravitational contraction of interstellar clouds. Over their life, stars return much of their mass to the ISM through winds and supernova explosions, resulting in a slow enrichment in heavy elements. Understanding the origin and evolution of the ISM is a key problem within astrophysics. The KAO has made many important contributions to studies of the interstellar medium both on the macro and on the micro scale. In this overview, I will concentrate on two breakthroughs in the last decade in which KAO observations have played a major role: (1) the importance of large Polycyclic Aromatic Hydrocarbon (PAH) molecules for the ISM (section 3) and (2) the study of Photodissociation Regions (PDRs) as an analog for the diffuse ISM at large (section 4). Appropriately, the micro and macro problem are intricately interwoven in these problems. Finally, section 5 reviews the origin of the (CII) emission observed by COBE.

Tielens, Alexander G. G. M.↗

NASA NTRS1995

Observational aspects of polycyclic aromatic hydrocarbon charging in the Interstellar Medium

We have investigated the charging processes which affect small carbonaceous dust grains and polycyclic aromatic hydrocarbons (PAH's). Because of their high abundance, interstellar PAH molecules can dominate the charge balance of the interstellar medium (ISM), which controls the heating and cooling interstellar gas and interstellar chemistry. We present the results of our model, which compare well with observations and suggest further applications to both laboratory measurements and data obtainable from the KAO.

Bakes, E. L. O.↗

NASA NTRS1995

HCN and HCO(+) images of the photodissociation region in the Orion Bar

We present preliminary millimeter-wavelength images of the photodissociation region (PDR) in the Orion Bar, observed with the Berkeley- Illinois-Maryland array (BIMA). These new BIMA observations have attained 5 arc sec resolution in the J=l-O emission lines of HCO+ (formyl ion) and HCN (hydrogen cyanide). The results are compared with previous observations of the J=1-0 transition lines of (13)CO. We find that the HCO+ and HCN have different spatial distributions. HCN appears to lie primarily inside dense clumps of gas, which are defined by areas of intense (13)CO emission. However, the HCO+ emission appears to be only loosely associated with the surfaces of the gas clumps. We suggest that HCO+ abundance is enhanced by the presence of vibrationally excited H2 on the surfaces of dense clumps, and that the HCN abundance is attenuated by photo destruction outside the cores of dense clumps of gas.

Youngowl, Rolaine C.↗

NASA NTRS1995

Infrared spectra of protostellar collapse

Theoretical models of the formation of low mass stars by cloud collapse predict that OI(63 micrometers) and IR rotational lines of CO and H2O dominate the cooling in the freefalling region 10-1000 AU from the protostar. The freefalling gas supersonically hits the protoplanetary disk orbiting the protostar, forming an accretion shock with strong IR emission in rotational lines of H2O and OH, and OI(63 microns). The accretion shock spectra and line profiles depend on the mass flux through the shock and the typical distance r-bar at which the freefalling gas strikes the disk. The line widths are of order the Keplerian speed, or approx. 10(r-bar/10AU)(exp -0.5) km/s, for the accretion shock lines, and less for the lines from the infalling gas. Measurements of the IR line fluxes and profiles from the freefalling gas and the accretion shock diagnoses how a protostar and disk are formed and requires high sensitivity and high spectral and spatial resolving power. SOFIA will be the optimum observatory for many of these lines, although ISO will contribute and the KAO may make a few pioneering detections.

Hollenbach, David J.↗

NASA NTRS1995

Fine structure line emission from supergiants

We have detected (O I) 63 micron and (Si II) 35 micron emission from the oxygen-rich, M supergiants alpha Orionis (Betelgeuse), alpha Scorpii (Antares), and alpha Herculis (Rasalgethi). The measured fluxes indicate that the emission originates in dense, warm gas in the inner envelope or transition region where molecules and dust are expected to form and the acceleration of the wind occurs. Mass-loss rates are derived, evidence for time variability is presented, and results for other evolved stars are included.

Haas, Michael R.↗

NASA NTRS1995

High rotational CO lines in post-AGB stars and PNe

A significant fraction of a star's initial mass is lost while it is on the Asymptotic Giant Branch (AGB). Mass loss rates range from 10(exp -7) solar mass/yr for early AGB stars to a few 10(exp -4) solar mass/yr for stars at the tip of the AGB. Dust grains condense from the outflow as the gas expands and form a dust shell around the central star. A superwind (approximately 10(exp -4) to 10(exp -3) solar mass/yr) is thought to terminate the AGB phase. In the post-AGB phase, the star evolves to a higher effective temperature, the mass loss decreases (approximately 10(exp -8) solar mass/yr), but the wind velocity increases (approximately 1000 km/s). During this evolution, dust and gas are exposed to an increasingly harsher radiation field and when T(sub eff) reaches about 30,000 K, the nebula is ionized and becomes a planetary nebula (PN). Photons from the central star can create a photodissociation region (PDR) in the expanding superwind. Gas can be heated through the photoelectric effect working on small grains and polycyclic aromatic hydrocarbons (PAH's). This gas can cool via the atomic fine structure lines of O I (63 microns and 145 microns) and C II (158 microns), as well as the rotational lines of CO. In the post-AGB phase, the fast wind from the central star will interact with the material ejected during the AGB phase. The shock caused by this interaction will dissociate and heat the gas. This warm gas will cool through atomic fine structure lines of O I and the rotational lines of (newly formed) CO.

Justtanont, K.↗

NASA NTRS1995

Physical structure of the IRC+10216 wind: Molecular sidereoarcheology

We present KAO observations of the CO J=9-8 and 12-11 lines in the C-star IRC+10216; these are the highest rotational transitions so far observed in any AGB star. A model is developed for the CO emission by IRC+10216 in all the observed CO rotational transitions.

Skinner, C. J.↗

NASA NTRS1995

Interstellar Grain Surface Chemistry

Chemistry on grain surfaces plays an Important role in the formation of interstellar Ices, It can also influence the composition of the gas phase through outgassing near luminous, newly formed stars. This paper reviews the chemical processes taking place on Interstellar grain surfaces with the emphasis on those transforming CO into other hydrocarbons. At low, molecular cloud temperatures (approximately equal to 10K), physisorption processes dominate interstellar grain surface chemistry and GO is largely hydrogenated through reactions with atomic H and oxidized through reactions with atomic O. The former will lead to the formation of H2CO and CH3OH ices, while the latter results in CO2 ice. The observational evidence for these ices in molecular clouds will be discussed. Very close to protostars, the gas and grain temperatures are much higher (approximately equal to 500K) and chemisorption processes, including catalytic surface reactions, becomes important. This will be illustrated based upon our studies of the Fischer-Tropsch Synthesis of CH4 from CO on metallic surfaces. Likely, this process has played an important role in the early solar nebula. Observational consequences will be pointed out.

Tielens, Alexander G. G. M.↗

NASA NTRS1994

The Diffuse Interstellar Bands: Contributed papers

Drawing a coherent picture of the observational characteristics of the Diffuse Interstellar Bands (DIB's) and the physical and chemical properties of its proposed carriers was the focus of this NASA sponsored conference. Information relating to absoption spectra, diffuse radiation carriers, carbon compounds, stellar composition, and interstellar extinction involving T-Tauri stars, Reflection Nebulae, Red Giants, and accretion discs are discussed from those papers presented at the conference, which are included in this analytic.

Tielens, Alexander G. G. M.↗

NASA NTRS1994

The formation of small grains in shocks in the ISM

Carbonaceous and silicate grains swept up, and betatron accelerated, by supernova-generated shock waves in the interstellar medium are exposed to grain destructive processing. The degree of grain destruction is determined by the differential gas-grain and grain-grain velocities, which lead to sputtering of the grain surface and grain core disruption (deformation, vaporization and shattering), respectively. The threshold pressure for grain shattering in grain-grain collisions (100 k bar) is considerably lower than that for vaporization (approximately 5 M bar). Therefore, collisions between grains shatter large grains into smaller fragments (i.e., small grains and PAH's). Using a new algorithms for the destructive processes, it was possible to model the formation fo small grain fragments in grain-grain collisions in the warm phase of the interstellar medium. It was found that in one cycle through the warm medium (approximately 3 x 10(sup 6) years) of order 1-2% of the total grain mass is shattered into particles with radii of less than 50 A.

Jones, Anthony P.↗