Water in Comet 2/2003 K4 (LINEAR) with Spitzer

We present sensitive 5.5 to 7.6 micron spectra of comet C/2003 K4 (LINEAR) obtained on 16 July 2004 (r_{h} = 1.760 AU, Delta_{Spitzer} = 1.409 AU, phase angle 35.4 degrees) with the Spitzer Space Telescope. The nu_{2} vibrational band of water is detected with a high signal-to-noise ratio (> 50). Model fitting to the best spectrum yields a water ortho-to-para ratio of 2.47 +/- 0.27, which corresponds to a spin temperature of 28.5^{+6.5}_{-3.5} K. Spectra acquired at different offset positions show that the rotational temperature decreases with increasing distance from the nucleus, which is consistent with evolution from thermal to fluorescence equilibrium. The inferred water production rate is (2.43 +/- 0.25) \times 10^{29} molec. s^{-1}. The spectra do not show any evidence for emission from PAHs and carbonate minerals, in contrast to results reported for comets 9P/Tempel 1 and C/1995 O1 (Hale-Bopp). However, residual emission is observed near 7.3 micron the origin of which remains unidentified.Comment: 33 pages, including 11 figures, 2 tables, ApJ 2007 accepte

No compelling evidence of distributed production of CO in comet C/1995 O1 (Hale-Bopp) from millimeter interferometric data and a reanalysis of near-IR lines

Based on long-slit infrared spectroscopic observations, it has been suggested that half of the carbon monoxide present in the atmosphere of comet C/1995 O1 (Hale-Bopp) close to perihelion was released by a distributed source in the coma, whose nature (dust or gas) remains unidentified. We re-assess the origin of CO in Hale-Bopp's coma from millimeter interferometric data and a re-analysis of the IR lines. Simultaneous observations of the CO J(1-0) (115 GHz) and J(2-1) (230 GHz) lines were undertaken with the IRAM interferometer in single-dish and interferometric modes. The diversity of angular resolutions (from 1700 to 42000 km diameter at the comet) is suitable to study the radial distribution of CO and detect the extended source observed in the infrared. We used excitation and radiative transfer models to simulate the observations. Various CO density distributions were considered, including 3D time-dependent hydrodynamical simulations which reproduce a CO rotating jet. The CO J(1-0) and J(2-1) observations can be consistently explained by a nuclear production of CO. Composite 50:50 nuclear/extended productions with characteristic scale lengths of CO parent L_p > 1500 km are rejected. Based on similar radiation transfer calculations, we show that the CO v = 1-0 ro-vibrational lines observed in comet Hale-Bopp at heliocentric distances less than 1.5 AU are severely optically thick. The broad extent of the CO brightness distribution in the infrared is mainly due to optical depth effects. Additional factors can be found in the complex structure of the CO coma, and non-ideal slit positioning caused by the anisotropy of dust IR emission. We conclude that both CO millimeter and infrared lines do not provide compelling evidence for a distributed source of CO in Hale-Bopp's atmosphere.Comment: Accepted for publication in Icarus (55 pages, 13 figures

Observations of cometary parent molecules with the IRAM radio telescope

Several rotational transitions of HCN, H2S, H2CO, and CH3OH were detected in comets P/Brorsen-Metcalf 1989 X, Austin (1989c1) and Levy (1990c) with the Institute for Millimeter Radioastronomy (IRAM) 30-m radio telescope. This allows us to determine the production rates of these molecules and to probe the physical conditions of the coma

The chemical diversity of comets

A fundamental question in cometary science is whether the different dynamical classes of comets have different chemical compositions, which would reflect different initial conditions. From the ground or Earth orbit, radio and infrared spectroscopic observations of a now significant sample of comets indeed reveal deep differences in the relative abundances of cometary ices. However, no obvious correlation with dynamical classes is found. Further results come, or are expected, from space exploration. Such investigations, by nature limited to a small number of objects, are unfortunately focussed on short-period comets (mainly Jupiter-family). But these in situ studies provide "ground truth" for remote sensing. We discuss the chemical differences in comets from our database of spectroscopic radio observations, which has been recently enriched by several Jupiter-family and Halley-type comets.Comment: In press in Earth, Moon and Planets (proceedings of the workshop "Future Ground-based Solar System Research: Synergies with Space Probes and Space Telescopes", Portoferraio, Isola d'Elba, Livorno (Italy), 8-12 September 2008). 6 pages with 2 figure

Antifreeze in the hot core of Orion - First detection of ethylene glycol in Orion-KL

Comparison of their chemical compositions shows, to first order, a good agreement between the cometary and interstellar abundances. However, a complex O-bearing organic molecule, ethylene glycol (CH$_{2}$OH)$_{2}$, seems to depart from this correlation because it was not easily detected in the interstellar medium although it proved to be rather abundant with respect to other O-bearing species in comet Hale-Bopp. Ethylene glycol thus appears, together with the related molecules glycolaldehyde CH$_{2}$OHCHO and ethanol CH$_{3}$CH$_{2}$OH, as a key species in the comparison of interstellar and cometary ices as well as in any discussion on the formation of cometary matter. We focus here on the analysis of ethylene glycol in the nearest and best studied hot core-like region, Orion-KL. We use ALMA interferometric data because high spatial resolution observations allow us to reduce the line confusion problem with respect to single-dish observations since different molecules are expected to exhibit different spatial distributions. Furthermore, a large spectral bandwidth is needed because many individual transitions are required to securely detect large organic molecules. Confusion and continuum subtraction are major issues and have been handled with care. We have detected the aGg' conformer of ethylene glycol in Orion-KL. The emission is compact and peaks towards the Hot Core close to the main continuum peak, about 2" to the south-west; this distribution is notably different from other O-bearing species. Assuming optically thin lines and local thermodynamic equilibrium, we derive a rotational temperature of 145 K and a column density of 4.6 10$^{15}$ cm$^{-2}$. The limit on the column density of the gGg' conformer is five times lower.Comment: 19 pages, 10 figures, A&A accepte

Bayesian calibration of the nitrous oxide emission module of an agro-ecosystem model

Nitrous oxide (N2O) is the main biogenic greenhouse gas contributing to the global warming potential (GWP) of agro-ecosystems. Evaluating the impact of agriculture on climate therefore requires a capacity to predict N2O emissions in relation to environmental conditions and crop management. Biophysical models simulating the dynamics of carbon and nitrogen in agro-ecosystems have a unique potential to explore these relationships, but are fraught with high uncertainties in their parameters due to their variations over time and space. Here, we used a Bayesian approach to calibrate the parameters of the N2O submodel of the agro-ecosystem model CERES-EGC. The submodel simulates N2O emissions from the nitrification and denitrification processes, which are modelled as the product of a potential rate with three dimensionless factors related to soil water content, nitrogen content and temperature. These equations involve a total set of 15 parameters, four of which are site-specific and should be measured on site, while the other 11 are considered global, i.e. invariant over time and space. We first gathered prior information on the model parameters based on the literature review, and assigned them uniform probability distributions. A Bayesian method based on the Metropolis–Hastings algorithm was subsequently developed to update the parameter distributions against a database of seven different field-sites in France. Three parallel Markov chains were run to ensure a convergence of the algorithm. This site-specific calibration significantly reduced the spread in parameter distribution, and the uncertainty in the N2O simulations. The model’s root mean square error (RMSE) was also abated by 73% across the field sites compared to the prior parameterization. The Bayesian calibration was subsequently applied simultaneously to all data sets, to obtain better global estimates for the parameters initially deemed universal. This made it possible to reduce the RMSE by 33% on average, compared to the uncalibrated model. These global parameter values may be used to obtain more realistic estimates of N2O emissions from arable soils at regional or continental scales

Nitrogen isotopic ratios in Barnard 1: a consistent study of the N2H+, NH3, CN, HCN and HNC isotopologues

The 15N isotopologue abundance ratio measured today in different bodies of the solar system is thought to be connected to 15N-fractionation effects that would have occured in the protosolar nebula. The present study aims at putting constraints on the degree of 15N-fractionation that occurs during the prestellar phase, through observations of D, 13C and 15N-substituted isotopologues towards B1b. Both molecules from the nitrogen hydride family, i.e. N2H+ and NH3, and from the nitrile family, i.e. HCN, HNC and CN, are considered in the analysis. As a first step, we model the continuum emission in order to derive the physical structure of the cloud, i.e. gas temperature and H2 density. These parameters are subsequently used as an input in a non-local radiative transfer model to infer the radial abundances profiles of the various molecules. Our modeling shows that all the molecules are affected by depletion onto dust grains, in the region that encompasses the B1-bS and B1-bN cores. While high levels of deuterium fractionation are derived, we conclude that no fractionation occurs in the case of the nitrogen chemistry. Independently of the chemical family, the molecular abundances are consistent with 14N/15N~300, a value representative of the elemental atomic abundances of the parental gas. The inefficiency of the 15N-fractionation effects in the B1b region can be linked to the relatively high gas temperature ~17K which is representative of the innermost part of the cloud. Since this region shows signs of depletion onto dust grains, we can not exclude the possibility that the molecules were previously enriched in 15N, earlier in the B1b history, and that such an enrichment could have been incorporated into the ice mantles. It is thus necessary to repeat this kind of study in colder sources to test such a possibility.Comment: accepted in A&

A Methodology to Engineer and Validate Dynamic Multi-level Multi-agent Based Simulations

This article proposes a methodology to model and simulate complex systems, based on IRM4MLS, a generic agent-based meta-model able to deal with multi-level systems. This methodology permits the engineering of dynamic multi-level agent-based models, to represent complex systems over several scales and domains of interest. Its goal is to simulate a phenomenon using dynamically the lightest representation to save computer resources without loss of information. This methodology is based on two mechanisms: (1) the activation or deactivation of agents representing different domain parts of the same phenomenon and (2) the aggregation or disaggregation of agents representing the same phenomenon at different scales.Comment: Presented at 3th International Workshop on Multi-Agent Based Simulation, Valencia, Spain, 5th June 201

Interferometric imaging of the sulfur-bearing molecules H2S, SO and CS in comet C/1995 O1 (Hale-Bopp)

We present observations of rotational lines of H2S, SO and CS performed in comet C/1995 O1 (Hale-Bopp) in March 1997 with the Plateau de Bure interferometer (IRAM). The observations provide informations on the spatial and velocity distributions of these molecules. They can be used to constrain their photodissociation rate and their origin. We use a radiative transfer code which allows us to compute synthetic line profiles and interferometric maps, to be compared to the observations. Both single-dish spectra and interferometric spectral maps show a day/night asymmetry in the outgassing. From the analysis of the spectral maps, including the astrometry, we show that SO and CS present in addition a jet-like structure that may be the gaseous counterpart of the dust high-latitude jet observed in optical images. A CS rotating jet is also observed. Using the astrometry provided by continuum radio maps obtained in parallel, we conclude that there is no need to invoke of nongravitational forces acting on this comet, and provide an updated orbit. The radial extension of H2S is found to be consistent with direct release from the nucleus. SO displays an extended radial distribution. Assuming that SO2 is the parent of SO, the photodissociation rate of SO is measured to be 1.5 E-4 s-1 at 1 AU from the Sun. This is lower than most laboratory-based estimates and may suggest that SO is not solely produced by SO2 photolysis. From the observations of J(2-1) and J(5-4) CS lines, we deduce a CS photodissociation rate of 1 to 5 E-5 s-1. The photodissociation rate of CS2, the likely parent of CS, cannot be constrained due to insufficient resolution, but our data are consistent with published values. These observations illustrate the cometary science that will be performed with the future ALMA interferometer.Comment: Accepted for publication in Astronomy & Astrophysic