Engineering topics

Bakes, E. L. O.

Publications and source records attributed to Bakes, E. L. O..

10 records

NASA NTRS2005

Experimental Study on Interactions Between H Atoms and Organic Haze

In Titan s atmosphere composed of N2 and CH4, irradiations of both solar ultraviolet light and charged particles induce active chemical reactions. In the processes of these reactions, a large amount of hydrogen (H) atoms are expected to be formed by dissociation of CH4 and other hydrocarbons [e.g., 1, 2]. Theoretical models suggest that these active H atoms need to be converted to stable hydrogen molecules (H2) efficiently to maintain unsaturated hydrocarbons and organic haze in Titan s atmosphere [e.g., 1]. Furthermore, molecular hydrogen is an important greenhouse effect gas in Titan s atmosphere, and small variation in its abundance strongly affects Titan s surface temperature [3]. Thus, the formation of H2 molecules from H atoms is a key reaction for both the atmospheric chemistry and the surface environment of Titan. Although several numerical calculations have been conducted to investigate the atmospheric chemistry of Titan with hypothesized recombination reactions of H atoms, such as catalytic scheme of C4H2 [e.g., 1, 2], it is still unclear what chemical reaction is responsible for the conversion of H atoms to H2 molecules in Titan s atmosphere.

Sekine, Y.↗

NASA NTRS2004

Electrical Charging of Aerosols and Conductivity of Titan's Atmosphere

We have used recent data on graphitic cloud particles in the atmosphere of Titan to compute the electrical charging of the particles (radii ranging from 0.01 microns to 0.26 microns). The charging on the nightside was rather similar to that obtained earlier except that charge distributions on the particles are now computed and recently obtained cloud particle sizes and density distributions were employed. The negative charge on particles of 0.26 microns peaked at 9 at 150 km altitude. The computations were repeated for the dayside with the addition of photoelectron emission by the particles as a result of the absorption of solar UV radiation. Particles (except the very smallest) now became positively charged with particles of radius 0.26 microns being charged up to +47. Next, very small particles (radii approx. 3 x 10 (sup -4) microns) of polycyclic aromatic hydrocarbons (PAHs) were introduced and treated as sources of negative ions since they could be either neutral or carry one negative charge. Moreover, they are mobile so that they had to be treated like molecular size negative ions although much more massive. They had the effect of substantially reducing the electron densities in the altitude range 190 to 310 km to values less than the negative PAH densities and increasing the peak electron charge on the larger particles. Particles of radius 0.26 microns bore peak charges of approx. +47 at altitudes of approx. 250 km. The simulated effect of PAHs on the nightside proved to be much less pronounced; at the peak negative PAH density, it was less than the electron density. The physics governing these results will be discussed.

Borucki, W. J.↗

NASA NTRS2003

Electrical Charging of the Clouds of Titan

We have used recent data on graphitic cloud particles in the atmosphere or Titan to compute the electrical charging of the particles (radii ranging from 0.01 microns to 0.26 microns). The charging on the nightside was rather similar to that obtained earlier (Borucki et al, Icarus, 72, 604-622, 1987) except that charge distributions on the particles are now computed and recently obtained cloud particle sizes and density distributions were employed. The negative charge on particles of 0.26 microns peaked at 9 at 150 km altitude. The computations were repeated for the dayside with the addition of photoelectron emission by the particles as a result of the absorption of solar UV radiation. Particles (except the very smallest) now became positively charged with particles of radius 0.26 microns being charged up to +47. Next, very small particles (radii approximately 3 x 10^-4 microns) of polycyclic aromatic hydrocarbons (PAHs) were introduced and treated as sources of negative ions since they could be either neutral or carry one negative charge. Moreover, they are mobile so that they had to be treated like molecular size negative ions although much more massive. They had the effect of substantially reducing the electron densities in the altitude range 190 to 310 km to values less than the negative PAH densities and increasing the peak electron charge on the larger particles. Particles of radius 0.26 microns bore peak charges of plus or minus 47 at altitudes of approximately 250 km. The simulated effect of PAHs on the nightside proved to be much less pronounced; at the peak negative PAH density, it was less than the electron density. The physics governing these results will be discussed.

Borucki, William J.↗

NASA NTRS2002

Transition from Gaseous Compounds to Aerosols in Titan's Atmosphere

We investigate the chemical transition of simple molecules like C2H2 and HCN into aerosol particles in the context of Titan's atmosphere. Experiments that synthesize analogs (tholins) for these aerosols can help understand and constrain these polymerization mechanisms. Using information available from these experiments, we suggest chemical pathways that can link simple molecules to macromolecules, that will be the precursors to aerosol particles: polymers of acetylene and cyanoacetylene, polycyclic aromatics (PAHs), polymers of HCN and other nitriles, and polynes. Although our goal here is not to build a detailed kinetic model for this transition, we propose parameterizations to estimate the production rates of these macromolecules, their C/N and C/H ratios, and the loss of parent molecules (C2H2, HCN, HC3N and other nitriles, C6H6) from the gas phase to the haze. We use a 1-dimensional photochemical model of Titan's atmosphere to estimate the formation rate of precursors macromolecules. We find a production zone slightly lower than 200 km altitude with a total production rate of 4 x 10(exp -14) g/ sq cm s and a C/N approx. = 4. These results are compared with experimental data, and to microphysical models requirements. The Cassini/Huygens mission will bring a detailed picture of the haze distribution and properties, that will be a great challenge for our understanding of those chemical processes.

Lebonnois, Sebastien↗

NASA NTRS2000

Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs)

We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

Bauschlicher, Charles W., Jr.↗

NASA NTRS2000

On the reaction CH2O + NH3 Yields CH2NH + H2O

We study the energetics of CH2O + NH3-Yields CH2NH + H2O in the gas phase at the B3LYP and CCSD(T)levels. This reaction is shown to have a sizeable barrier. Ionization of NH3 reduces the barrier to about 5 kcal/mol. We also show that in water, a proton catalyzed mechanism yields no barriers in excess of the reaction endothermicity. Since this reaction has been proposed as one of the steps in interstellar synthesis of glycine, the simplest amino acid, this work suggests that the formation of amino acids is occurring in and/or on interstellar water ice grains, and not in the gas phase.

Walch, Stephen P.↗

NASA NTRS1995

The neutral atomic phases of the interstellar medium

We calculate the thermal equilibrium gas temperature of the diffuse interstellar medium. Our method incorporates a new photoelectric heating rate from small grains and polycyclic aromatic hydrocarbons (PAHs) that accounts for a size distribution of particles extending from 100 to 3 A radius. We also include a detailed treatment of the ionization rates and heating due to the soft X-ray background and due to cosmic rays. Phase diagrams (thermal pressure P versus hydrogen density n) are presented for gas that is illuminated by local interstellar far-ultraviolet (FUV) and X-ray radiation fields. A stable two-phase medium is produced with thermal pressure in the range P/k approximately = to 10(exp 3-4) K/cc. We demonstrate that photoelectric heating from PAHs dominates in the warm neutral phase (WNM) and cold neutral phase (CNM). If the C II (158 micrometers cooling per hydrogen nucleus in the solar neighborhood represents an average value for the Galaxy, we predict L(sub CII) approximately = to 7 x 10(exp 7) solar luminosities from the CNM in the Galaxy, comparable to that observed by the Cosmic Background Explorer (COBE). We discuss the dependence of the results on absorbing column density, gas phase abundances, dust abundances and metallicity, FUV field, and the X-ray radiation field. These results will be useful in modeling the multiphase structure of high-velocity clouds in the halo, the interstellar matter (ISM) at other galactocentric radii, and the ISM in external galaxies and galactic nuclei.

Wolfire, M. G.↗

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 NTRS1994

Photon-dominated regions around cool stars: The effects of the color temperature of the radiation field

We have investigated the influence of the color temperature of the illuminating radiation field on the chemical and thermal structure of photon-dominated regions (PDRs). We present the results of a study of the photoelectric efficiency of heating by large molecules such as polycyclic aromatic hydrocarbons (PAHs) and very small grains for radiation fields characterized by different effective temperatures. We show that the efficiency for cooler (T(sub eff) approximately = 6000-10,000 K) stars is at most an order of magnitude smaller than that for hotter (T(sub eff) approximately = 20,000-30,000 K) stars. While cooler radiation fields result in less ultraviolet photons capable of heating, the efficiency per absorbed photon is higher, because the grains become less positively charged. We also present detailed calculations of the chemistry and thermal balance for generic PDRs (n(sub 0) approximately = 10(exp 3), G(sub 0) approximately = 10(exp 3)). For cooler radiation fields, the H/H2 and C(+)/C/CO transition layers shift toward the surface of the PDR, because fewer photons are available to photodissociate H2 and CO and to ionize C. The dominant cooling lines are the (C II) 158 micron and the (O I) 63 micron lines for the hotter radiation fields, but cooling by CO becomes dominant for a color temperature of 6000 K or lower. The (C II)/CO and (O I)/CO ratios are found to be very good diagnostics for the color temperature of the radiation field.

Spaans, Marco↗

NASA NTRS1994

The photoelectric heating mechanism for very small graphitic grains and polycyclic aromatic hydrocarbons

We have theoretically modeled the gas heating associated with the photoelectric ejection of electrons from a size distribution of interstellar carbon grains which extends into the molecular domain. We have considered a wide range of physical conditions for the interstellar gas (1 less than G(sub 0) less than 10(exp 5), with G(sub 0) being the intensity of the incident far-UV field in units of the Habing interstellar radiation field; 2.5 x 10( exp -3) less than n(sub e) less than 75/cu cm, with n(sub e) being the electron density; 10 less than T less than 10,000 K, with T being the gas temperature). The results show that about half of the heating is due to grains less than 1500 C atoms (less than 15 A). The other half originates in somewhat larger grains (1500-4.5 x 10(exp 5) C atoms; 15 less than 100 A). While grains larger than this do absorb about half of the available far-UV photons, they do not contribute appreciably to the gas heating. This strong dependence of gas heating on size results from the decrease in yield and from the increased grain charge (hence larger Coulomb losses) with increasing grain size. We have determined the net photoelectric heating rate and evaluated a simple analytical expression for the heating efficiency, dependent only on G(sub 0), T, and n(sub e). This expression is accurate to 3% over the whole parameter range and is valid up to gas temperatures of 10(exp 4) K, at which point the dominant gas-dust heat exchange mechanism becomes the recombination of electrons with grains rather than photoelectric ejection. The calculated heating efficiency for neutral grains is in good agreement with that derived from observations of the diffuse interstellar clouds. Our results also agree well with the Far Infrared Absolute Spectrometer (FIRAS) observations on the Cosmic Background Explorer Satellite. Finally, our photoelectric heating efficiency is compared to previous studies.

Bakes, E. L. O.↗