Analysis of Titan's neutral upper atmosphere from Cassini Ion Neutral Mass Spectrometer measurements

In this paper we present an in-depth study of the distributions of various neutral species in Titan's upper atmosphere, between 950 and 1500 km for abundant species (N₂, CH₄, H₂) and between 950 and 1200 km for other minor species. Our analysis is based on a large sample of Cassini/INMS (Ion Neutral Mass Spectrometer) measurements in the CSN (Closed Source Neutral) mode, obtained during 15 close flybys of Titan. To untangle the overlapping cracking patterns, we adopt Singular Value Decomposition (SVD) to determine simultaneously the densities of different species. Except for N₂, CH₄, H₂ and ⁴⁰Ar (as well as their isotopes), all species present density enhancements measured during the outbound legs. This can be interpreted as a result of wall effects, which could be either adsorption/desorption of these molecules or heterogeneous surface chemistry of the associated radicals on the chamber walls. In this paper, we provide both direct inbound measurements assuming ram pressure enhancement only and abundances corrected for wall adsorption/desorption based on a simple model to reproduce the observed time behavior. Among all minor species of photochemical interest, we have firm detections of C₂H₂, C₂H₄, C₂H₆, CH₃C₂H, C₄H₂, C₆H₆, CH₃CN, HC₃N, C₂N₂ and NH₃ in Titan's upper atmosphere. Upper limits are given for other minor species.The globally averaged distributions of N₂, CH₄ and H₂ are each modeled with the diffusion approximation. The N₂ profile suggests an average thermospheric temperature of 151 K. The CH₄ and H₂ profiles constrain their fluxes to be and , referred to Titan's surface. Both fluxes are significantly higher than the Jeans escape values. The INMS data also suggest horizontal/diurnal variations of temperature and neutral gas distribution in Titan's thermosphere. The equatorial region, the ramside, as well as the nightside hemisphere of Titan appear to be warmer and present some evidence for the depletion of light species such as CH₄. Meridional variations of some heavy species are also observed, with a trend of depletion toward the north pole. Though some of the above variations might be interpreted by either the solar-driven models or auroral-driven models, a physical scenario that reconciles all the observed horizontal/diurnal variations in a consistent way is still missing. With a careful evaluation of the effect of restricted sampling, some of the features shown in the INMS data are more likely to be observational biases.     

A regularization of the three-body problem

Letr ₁,r ₂,r ₃ be arbitrary coordinates of the non-zero interacting mass-pointsm ₁,m ₂,m ₃ and define the distancesR ₁=|r ₁?r ₃|,R ₂=|r ₂?r ₃|,R=|r ₁?r ₂|. An eight-dimensional regularization of the general three-body problem is given which is based on Kustaanheimo-Stiefel regularization of a single binary and possesses the properties:

1. The equations of motion are regular for the two-body collisionsR ₁→0 orR ₂→0.
2. Provided thatR?R ₁ orR?R ₂, the equations of motion are numerically well behaved for close triple encounters.

Although the requirementR? min (R ₁,R ₂) may involve occasional transformations to physical variables in order to re-label the particles, all integrations are performed in regularized variables. Numerical comparisons with the standard Kustaanheimo-Stiefel regularization show that the new method gives improved accuracy per integration step at no extra computing time for a variety of examples. In addition, time reversal tests indicate that critical triple encounters may now be studied with confidence. The Hamiltonian formulation has been generalized to include the case of perturbed three-body motions and it is anticipated that this procedure will lead to further improvements ofN-body calculations.     

The first detection of propane on Saturn

We report the first detection of propane, C₃H₈, in Saturn's stratosphere. Observations taken on September 8, 2002 UT at NASA's IRTF using TEXES, show multiple emission lines due to the 748 cm⁻¹ν₂₁ band of C₃H₈. Using a line-by-line radiative transfer code, we are able to fit the data by scaling the propane vertical mixing ratio profile from the photochemical model of Moses et al. [2000. Icarus 143, 244-298]. Multiplicative factors of 0.7 and 0.65 are required to fit the −20° and −80° planetocentric latitude spectra. The resultant profiles are characterized by a 5 mbar mixing ratio of 2.7±0.8×¹⁰⁻⁸ at −20° and at −80° latitude. These results suggest that the time scale for meridional circulation lies between the net photochemical lifetimes of C₂H₂ and C₃H₈, ≈30-600 years.     

The organic composition of Comet C/2001 A2 (LINEAR): I. Evidence for an unusual organic chemistry

We used the NIRSPEC instrument on the Keck-2 telescope atop Mauna Kea, HI to observe Comet C/2001 A2 (LINEAR) in a Target of Opportunity campaign on UT 2001 July 9.5, 10.5 August 4.4, 10.5. We measured seven organic parent volatiles (C₂H₆, C₂H₂, HCN, CH₄, CO, CH₃OH, H₂CO) simultaneously with H₂O. We obtained absolute production rates and relative abundances for parent volatiles, and also measured rotational temperatures for several of these species. The chemical composition of C/2001 A2 differs substantially from any comet we have observed to date. The abundances we measure (relative to H₂O) for C₂H₆, C₂H₂, HCN, and CH₃OH are enriched by a factor of ∼2 to 3 in C/2001 A2 compared with most comets in our database. Other molecular species were detected within the typical range of measured abundances. C/2001 A2 presented a unique opportunity to study the chemistry of a fragmenting comet where pristine areas are exposed to the Sun.     

Models of CN and C2 comae for comet Tago-Sato-Kosaka and comet bennett

Based on the CN and C₂ comae isophotes for two comets (1961 IX and 1970 16) given by Rahe et al. and the relevant theory of physical chemistry, we have deduced the distributions of the CN and C₂ modecules in the coma, their scale heights and mean lifetimes. The results favour the viewpoint that HCN is the parent of CN, and that C₂H₂ is the parent of C₂.     

Titan's corona: The contribution of exothermic chemistry

The contribution of exothermic ion and neutral chemistry to Titan's corona is studied. The production rates for fast neutrals N₂, CH₄, H, H₂, ³CH₂, CH₃, C₂H₄, C₂H₅, C₂H₆, N(⁴S), NH, and HCN are determined using a coupled ion and neutral model of Titan's upper atmosphere. After production, the formation of the suprathermal particles is modeled using a two-stream simulation, as they travel simultaneously through a thermal mixture of N₂, CH₄, and H₂. The resulting suprathermal fluxes, hot density profiles, and energy distributions are compared to the N₂ and CH₄ INMS exospheric data presented in [De La Haye, V., Waite Jr., J.H., Johnson, R.E., Yelle, R.V., Cravens, T.E., Luhmann, J.G., Kasprzak, W.T., Gell, D.A., Magee, B., Leblanc, F., Michael, M., Jurac, S., Robertson, I.P., 2007. J. Geophys. Res., doi:10.1029/2006JA012222, in press], and are found insufficient for producing the suprathermal populations measured. Global losses of nitrogen atoms and carbon atoms in all forms due to exothermic chemistry are estimated to be and .     

Interpretation of the 6818.9-Å methane feature observed on Jupiter,Saturn, and Uranus

High-resolution (0.1-Å) spectra of the 6818.9-Å methane feature obtained for Jupiter, Saturn, and Uranus by K. H. Baines, W. V. Schempp, and W. H. Smith ((1983). Icarus56, 534–542) are modeled using a doubling and adding code after J. H. Hansen ((1969). Astrophys. J.155, 565–573). The feature's rotational quantum number is estimated using the relatively homogeneous atmosphere of Saturn, with only J = 0 and J = 1 fitting the observational constraints. The aerosol content within Saturn's northern temperate region is shown to be substantially less than at the equator, indicating a haze only half as optically thick. Models of Jupiter's atmosphere are consistent with the rotational quantum-number assignment. Synthetic line profiles of the 6818.9-Å feature observed on Uranus reveal that a substantial haze exists at or above the methane condensation region with an optical depth eight times greater than previously reported. Seasonal effects are indicated. The methane column abundance is 5 ± 1 km-am. The mixing ratio of methane to hydrogen within the deep unsaturated region of the planet is 0.045 ± 0.025, based on an H₂ column abundance of 240 ± 60 km-am (W. H. Smith, W. Macy, and C. B. Pilcher (1980). Icarus43, 153–160), thus indicating that the methane comprises between one-sixth and one-half of the planet's mass. However, proper reevaluation of H₂ quadrupole features accounting for the haze reported here may significantly reduce the relative methane abundance.     

Spectrophotometry of comet Hartley-Good (1985l)

We present spectrophotometric studies of comet Hartley-Good (1985l) in the spectral region 3200–7000 Å. The emission features of molecules CN, CH, C₂, and C₃ are observed. The variation of the emission strength of different species has been studied as a function of heliocentric distance. The abundances (N) and production rates (Q) of the molecules are also estimated.     

Spectrophotometry of P/Halley (1982i)

Spectral scans of the head of periodic Comet Halley (1982i) have been presented in the optical region (3200–7000 Å) for six nights. Emission features due to NH, CN, CH, C₃, C₂ and NH₂ molecules have been identified. It is found that the comet exhibits night-to-night variation of emission bands. The abundances and production rates of CN and C₂ species have been derived.     

Studies of some diatomic molecules in the F- and early G-type dwarf stars

A critical analysis of CH, NH, OH, C₂, and CN molecules/radicals has been made in twenty-four F- and early G-type dwarfs at different effective temperature as well as in new constructed model atmosphere. Molecular indices of bandheads ofA-X system of CH, NH, OH, C₂, and CN have been obtained by using the data available in the literature (thirteen-colour and eight-colour photometry).Besides, some interesting plots of the molecular indices vs _eff, molecular abundances and molecular indices vs dissociation energy, reduced equivalent widths and FCF's vs dissociation energy for respective molecules have also been enumerated. It is found that the molecular indices at bandheads ofA-X system of CH, NH, OH, C₂, and CN are approximately constant (5810–6570 K). It is to be noted that the molecular indices decrease in the order OH, NH, CH, C₂, and CN at a given temperature.The dissociation equilibrium of CH, NH, OH, C₂, and CN is considered at 5810, 6570, and 7160 K phases in model atmosphere. At standard scale of abundance the molecular abundance and molecular index decrease in the order OH, NH, CH, C₂, and CN at any given phase, however, CN abundance and index increase (_eff=0.867-0.767). The amplitude of abundance and index variation decrease in the order NH, OH, CH, C₂, and CN (_eff=0.767-0.704).The reduced equivalent width decrease in the order OH, NH, CH, and C₂ and FCF's decrease in the order CH, OH, NH, CN, and C₂.The confrontation of models and observations of spectra of F- and early G-type dwarfs of parent molecules is of primary importance to investigate the physical conditions within atmospheres. Reliable excitation models are also requisite for interpreting spectroscopic observations of parent molecules and deriving molecular abundances.     

High-resolution 3-μm spectra of Jupiter: Latitudinal spectral variations influenced by molecules, clouds, and haze

We present latitudinally-resolved high-resolution (R = 37,000) pole-to-pole spectra of Jupiter in various narrow longitudinal ranges, in spectral intervals covering roughly half of the spectral range 2.86-3.53 μm. We have analyzed the data with the aid of synthetic spectra generated from a model jovian atmosphere that included lines of CH₄, CH₃D, NH₃, C₂H₂, C₂H₆, PH₃, and HCN, as well as clouds and haze. Numerous spectral features of many of these molecular species are present and are individually identified for the first time, as are many lines of and a few unidentified spectral features. In both polar regions the 2.86-3.10-μm continuum is more than 10 times weaker than in spectra at lower latitudes, implying that in this wavelength range the single-scattering albedos of polar haze particles are very low. In contrast, the 3.24-3.53 μm the weak polar and equatorial continua are of comparable intensity. We derive vertical distributions of NH₃, C₂H₂ and C₂H₆, and find that the mixing ratios of NH₃ and C₂H₆ show little variation between equatorial and polar regions. However, the mixing ratios of C₂H₂ in the northern and southern polar regions are ∼6 and ∼3 times, respectively, less than those in the equatorial regions. The derived mixing ratio curves of C₂H₂ and C₂H₆ extend up to the 10⁻⁶ bar level, a significantly higher altitude than most previous results in the literature. Further ground-based observations covering other longitudes are needed to test if these mixing ratios are representative values for the equatorial and polar regions.     

Formation of radical species in photolyzed CH4:N2 ices

We report photochemical studies of thin cryogenic ice films composed of N₂, CH₄ and CO in ratios analogous to those on the surfaces of Neptune’s largest satellite, Triton, and on Pluto. Experiments were performed using a hydrogen discharge lamp, which provides an intense source of ultraviolet light to simulate the sunlight-induced photochemistry on these icy bodies. Characterization via infrared spectroscopy showed that C₂H₆ and C₂H₂, and HCO are formed by the dissociation of CH₄ into H, CH₂ and CH₃ and the subsequent reaction of these radicals within the ice. Other radical species, such as C₂, , CN, and CNN, are observed in the visible and ultraviolet regions of the spectrum. These species imply a rich chemistry based on formation of radicals from methane and their subsequent reaction with the N₂ matrix. We discuss the implications of the formation of these radicals for the chemical evolution of Triton and Pluto. Ultimately, this work suggests that , CN, HCO, and CNN may be found in significant quantities on the surfaces of Triton and Pluto and that new observations of these objects in the appropriate wavelength regions are warranted.     

Very Fast and Accurate Azimuth Disambiguation of Vector Magnetograms

We present a method for fast and accurate azimuth disambiguation of vector magnetogram data regardless of the location of the analyzed region on the solar disk. The direction of the transverse field is determined with the principle of minimum deviation of the field from the reference (potential) field. The new disambiguation (NDA) code is examined on the well-known models of Metcalf et al. (Solar Phys. 237, 267, 2006) and Leka et al. (Solar Phys. 260, 83, 2009), and on an artificial model based on the observed magnetic field of AR 10930 (Rudenko, Myshyakov, and Anfinogentov, Astron. Rep. 57, 622, 2013). We compare Hinode/SOT-SP vector magnetograms of AR 10930 disambiguated with three codes: the NDA code, the nonpotential magnetic-field calculation (NPFC: Georgoulis, Astrophys. J. Lett. 629, L69, 2005), and the spherical minimum-energy method (Rudenko, Myshyakov, and Anfinogentov, Astron. Rep. 57, 622, 2013). We then illustrate the performance of NDA on SDO/HMI full-disk magnetic-field observations. We show that our new algorithm is more than four times faster than the fastest algorithm that provides the disambiguation with a satisfactory accuracy (NPFC). At the same time, its accuracy is similar to that of the minimum-energy method (a very slow algorithm). In contrast to other codes, the NDA code maintains high accuracy when the region to be analyzed is very close to the limb.     

Spectrophotometric study of periodic Comet Halley (1982i)

Spectral scans of the head of periodic Comet Halley (1982i) have been presented and analysed in detail in the optical region (3200–7000 Å); for ten nights during pre-perihelion period. Emission features due to NH, CN, CH, C₃, and C₂ molecules have been identified. The behaviour of the variation of different emission lines strength as a function of heliocentric distance has been investigated. It is found that the comet exhibits night-to-night variation of brightness. The abundances and production rates of CN and C₂ species have also been derived.     

Jupiter's hydrocarbon polar brightening: Discovery of 3-micron line emission from south polar CH4, C2H2, and C2H6

Jupiter exhibits bright H⁺₃ auroral arcs at 3-4 microns that cool the hot (>1000 K) ionosphere above the ∼¹⁰−7 bar level through the infrared bands of this trace constituent. Below the ¹⁰−7 bar level significant cooling proceeds through infrared active bands of CH₄, C₂H₂, and C₂H₆. We report the discovery of 3-micron line emission from these hydrocarbon species in spectra of the jovian south polar region obtained on April 18 and 20, 2006 (UT) with CGS4 on the United Kingdom Infrared Telescope. Estimated cooling rates through these molecules are 7.5×¹⁰−3, 1.4×¹⁰−3, and , respectively, for a total nearly half that of H⁺₃. We derive a temperature of 450 ± 50 K in the ¹⁰−7-¹⁰−5 bar region from the C₂H₂ lines.     

The composition of Titan's stratosphere from Cassini/CIRS mid-infrared spectra

We have analyzed data recorded by the Composite Infrared Spectrometer (CIRS) aboard the Cassini spacecraft during the Titan flybys T0-T10 (July 2004-January 2006). The spectra characterize various regions on Titan from 70° S to 70° N with a variety of emission angles. We study the molecular signatures observed in the mid-infrared CIRS detector arrays (FP3 and FP4, covering roughly the 600-1500 cm⁻¹ spectral range with apodized resolutions of 2.54 or 0.53 cm⁻¹). The composite spectrum shows several molecular signatures: hydrocarbons, nitriles and CO₂. A firm detection of benzene (C₆H₆) is provided by CIRS at levels of about 3.5×¹⁰⁻⁹ around 70° N. We have used temperature profiles retrieved from the inversion of the emission observed in the methane ν₄ band at 1304 cm⁻¹ and a line-by-line radiative transfer code to infer the abundances of the trace constituents and some of their isotopes in Titan's stratosphere. No longitudinal variations were found for these gases. Little or no change is observed generally in their abundances from the south to the equator. On the other hand, meridional variations retrieved for these trace constituents from the equator to the North ranged from almost zero (no or very little meridional variations) for C₂H₂, C₂H₆, C₃H₈, C₂H₄ and CO₂ to a significant enhancement at high northern (early winter) latitudes for HCN, HC₃N, C₄H₂, C₃H₄ and C₆H₆. For the more important increases in the northern latitudes, the transition occurs roughly between 30 and 50 degrees north latitude, depending on the molecule. Note however that the very high-northern latitude results from tours TB-T10 bear large uncertainties due to few available data and problems with latitude smearing effects. The observed variations are consistent with some, but not all, of the predictions from dynamical-photochemical models. Constraints are set on the vertical distribution of C₂H₂, found to be compatible with 2-D equatorial predictions by global circulation models. The D/H ratio in the methane on Titan has been determined from the CH₃D band at 1156 cm⁻¹ and found to be . Implications of this deuterium enrichment, with respect to the protosolar abundance on the origin of Titan, are discussed. We compare our results with values retrieved by Voyager IRIS observations taken in 1980, as well as with more recent (1997) disk-averaged Infrared Space Observatory (ISO) results and with the latest Cassini-Huygens inferences from other instruments in an attempt to better comprehend the physical phenomena on Titan.     

CN, C2 radicals and dust in Comets Shoemaker-Levy 1991 T2 and P/deVico 1995 S1

The results of the multiaperture photometry of Comet Shoemaker-Levy 1991 T2 in the pre-perihelion and P/deVico in the post-perihelion period with the narrowband CN, C₂ and Blue Continuum (BC) IHW filters are presented. A Haser model of the molecular coma was used for the determination of the parent and daughter scale-lengths and production rates of the radicals. The comets showed some substantial differences between their parent scale-lengths. The CN parent scale-length (at 1.0 AU) was 16×¹⁰³ km for Comet Shoemaker-Levy and 39×¹⁰³ for P/deVico, the C₂ parent scale-lengths were respectively 29×¹⁰³ and 54×¹⁰³ km. Such divergences could be interpreted in the frame of different scenarios of emission of cometary parents, either from a nucleus or from a volume source. The daughter scale-lengths for these comets were quite similar, namely: 306×¹⁰³ and 318×¹⁰³ km for CN and 69×¹⁰³ and 66×¹⁰³ km for C₂. We determined the Afρ parameter for apertures of different radii. A Monte Carlo model of the dust coma was used to obtain the dust ejection velocity. It was of the order of 0.1 km s⁻¹ for both comets. The power index of the distribution of the β-parameter of dust particles (ratio of light pressure to the solar gravitation) was of the order of 3 for C/Shoemaker-Levy and close to 2 for P/deVico. The dependence on heliocentric distance (rh) of the radical and dust production rates for P/deVico in the range of 0.7-1.0 AU was described by the power law function with a power index equal to: 5.55±0.14 for CN, 5.70±0.24 for C₂ and 5.22±0.19 for dust. Relative abundances of the dynamically new Comet Shoemaker-Levy and short-period P/deVico were quite similar with an enhancement of C₂ comparing with standard values taken from A'Hearn et al. (1995).     

Models of the cometary coma in which abundances are calculated for various heliocentric distances

One-dimensional radial models of the chemistry in cometary comae have been constructed for heliocentric distances ranging from 2 to 0.125 AU. The coma's opacity to solar radiation is included and photolytic reaction rates are calculated. A parent volatile mixture similar to that found in interstellar molecular clouds is assumed. Profiles through the coma of number density and column density are presented for H₂O, OH, O, CN, C₂, C₃, CH, and NH₂. Whole-coma abundances are presented for NH₂, CH, C₂, C₃, CN, OH, CO⁺, H₂O⁺, CH⁺, N₂⁺, and CO₂⁺.     

Spectroscopy of comet P/Schaumasse

Column density profiles for CN, C₃, C₂ and NH have been determined from a long-slit CCD spectrum of periodic comet P/Schaumasse (1992x). Comparisons of these profiles with Haser models indicate that the ratios of the CN, C₃ and C₂ production rates are typical for a short-period comet. Although the scale lengths for NH and its parent species are uncertain, the results indicate that the production rate for NH is much greater than for either C₂ or CN.     

Modeling chemical growth processes in Titan's atmosphere 2. Theoretical study of reactions between C2H and ethene, propene, 1-butene, 2-butene, isobutene, trimethylethene, and tetramethylethene

Barrierless reactions between unsaturated hydrocarbons and the ethynyl radical (C₂H) can contribute to the growth of organic particulates in the haze-forming regions of Titan's atmosphere as well as in the gas giants and in the interstellar medium. We employed a combination of quantum chemistry and statistical rate theories to characterize reactions between ground state C₂H and seven alkenes of the general structure R₁R₂C^′C^″R₃R₄ containing up to six carbons. The alkenes included ethene (C₂H₄); propene (C₃H₆); 1-butene, 2-butene, and isobutene (C₄H₈); trimethylethene (C₅H₁₀); and tetramethylethene (C₆H₁₂). Density functional theory calculations at the B3LYP/6-31 + G^∗∗ level were used to characterize the adducts, isomers, products, and the intervening transition states for the addition-elimination reactions of all seven species. A multiple-well treatment was then employed to determine the outcome distributions for the range of temperatures and pressures relevant to Titan's atmosphere, the interstellar medium, and the outer atmospheres of the gas giants. Finally, trajectory calculations using an ROMP2 potential energy surface were used to calculate kinetic rates for the ethene + C₂H reaction, where the agreement between the computed and measured values is very good. At low pressure and temperature, vinyl acetylene is a dominant product of several of the reactions, and all of the reactions yield at least one dominant product with both a double and a triple CC bond.