arXiv subjects

A. Faure

Publications and source records attributed to A. Faure.

At least 55 records · Page 3Linked to original sources

arXiv2015

C$_2$H observations toward the Orion Bar

C$_2$H is one of the first radicals to be detected in the interstellar medium. Its higher rotational transitions have recently become available with the Herschel Space Observatory. We aim to constrain the physical parameters of the C$_2$H emitting gas toward the Orion Bar. We analyse the C$_2$H line intensities measured toward the Orion Bar CO$^+$ Peak and Herschel/HIFI maps of C$_2$H, CH, and HCO$^+$, and a NANTEN map of [CI]. We interpret the observed C$_2$H emission using radiative transfer and PDR models. Five rotational transitions of C$_2$H have been detected in the HIFI frequency range toward the CO$^+$ peak. A single component rotational diagram gives a rotation temperature of ~64 K and a beam-averaged C$_2$H column density of 4$\times$10$^{13}$ cm$^{-2}$. The measured transitions cannot be explained by any single parameter model. According to a non-LTE model, most of the C$_2$H column density produces the lower-$N$ C$_2$H transitions and traces a warm ($T_{\rm{kin}}$ ~ 100-150 K) and dense ($n$(H$_2$)~10$^5$-10$^6$ cm$^{-3}$) gas. A small fraction of the C$_2$H column density is required to reproduce the intensity of the highest-$N$ transitions ($N$=9-8 and N=10-9) originating from a high density ($n$(H$_2$)~5$\times$10$^6$ cm$^{-3}$) hot ($T_{\rm{kin}}$ ~ 400 K) gas. The total beam-averaged C$_2$H column density in the model is 10$^{14}$ cm$^{-2}$. Both the non-LTE radiative transfer model and a simple PDR model representing the Orion Bar with a plane-parallel slab of gas and dust suggest, that C$_2$H cannot be described by a single pressure component, unlike the reactive ion CH$^+$, which was previously analysed toward the Orion Bar CO$^+$ peak. The physical parameters traced by the higher rotational transitions ($N$=6-5,...,10-9) of C$_2$H may be consistent with the edges of dense clumps exposed to UV radiation near the ionization front of the Orion Bar.

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arXiv2015

The 2014 KIDA network for interstellar chemistry

Chemical models used to study the chemical composition of the gas and the ices in the interstellar medium are based on a network of chemical reactions and associated rate coefficients. These reactions and rate coefficients are partially compiled from data in the literature, when available. We present in this paper kida.uva.2014, a new updated version of the kida.uva public gas-phase network first released in 2012. In addition to a description of the many specific updates, we illustrate changes in the predicted abundances of molecules for cold dense cloud conditions as compared with the results of the previous version of our network, kida.uva.2011.

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arXiv2014

Collisional excitation of water by hydrogen atoms

We present quantum dynamical calculations that describe the rotational excitation of H$_2$O due to collisions with H atoms. We used a recent, high accuracy potential energy surface, and solved the collisional dynamics with the close-coupling formalism, for total energies up to 12 000 cm$^{-1}$. From these calculations, we obtained collisional rate coefficients for the first 45 energy levels of both ortho- and para-H$_2$O and for temperatures in the range T = 5-1500 K. These rate coefficients are subsequently compared to the values previously published for the H$_2$O / He and H$_2$O / H$_2$ collisional systems. It is shown that no simple relation exists between the three systems and that specific calculations are thus mandatory.

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arXiv2014

Collisional excitation of singly deuterated ammonia NH$_2$D by H$_2$

The availability of collisional rate coefficients with H$_2$ is a pre-requisite for interpretation of observations of molecules whose energy levels are populated under non local thermodynamical equilibrium conditions. In the current study, we present collisional rate coefficients for the NH$_2$D / para--H$_2$($J_2 = 0,2$) collisional system, for energy levels up to $J_τ= 7_7$ ($E_u$$\sim$735 K) and for gas temperatures in the range $T = 5-300$K. The cross sections are obtained using the essentially exact close--coupling (CC) formalism at low energy and at the highest energies, we used the coupled--states (CS) approximation. For the energy levels up to $J_τ= 4_2$ ($E_u$$\sim$215 K), the cross sections obtained through the CS formalism are scaled according to a few CC reference points. These reference points are subsequently used to estimate the accuracy of the rate coefficients for higher levels, which is mainly limited by the use of the CS formalism. Considering the current potential energy surface, the rate coefficients are thus expected to be accurate to within 5\% for the levels below $J_τ= 4_2$, while we estimate an accuracy of 30\% for higher levels.

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arXiv2013

The IRAM-30m line survey of the Horsehead PDR: IV. Comparative chemistry of H2CO and CH3OH

Aims. We investigate the dominant formation mechanism of H2CO and CH3OH in the Horsehead PDR and its associated dense core. Methods. We performed deep integrations of several H2CO and CH3OH lines at two positions in the Horsehead, namely the PDR and dense core, with the IRAM-30m telescope. In addition, we observed one H2CO higher frequency line with the CSO telescope at both positions. We determine the H2CO and CH3OH column densities and abundances from the single-dish observations complemented with IRAM-PdBI high-angular resolution maps (6") of both species. We compare the observed abundances with PDR models including either pure gas-phase chemistry or both gas-phase and grain surface chemistry. Results. We derive CH3OH abundances relative to total number of hydrogen atoms of ~1.2e-10 and ~2.3e-10 in the PDR and dense core positions, respectively. These abundances are similar to the inferred H2CO abundance in both positions (~2e-10). We find an abundance ratio H2CO/CH3OH of ~2 in the PDR and ~1 in the dense core. Pure gas-phase models cannot reproduce the observed abundances of either H2CO or CH3OH at the PDR position. Both species are therefore formed on the surface of dust grains and are subsequently photodesorbed into the gas-phase at this position. At the dense core, on the other hand, photodesorption of ices is needed to explain the observed abundance of CH3OH, while a pure gas-phase model can reproduce the observed H2CO abundance. The high-resolution observations show that CH3OH is depleted onto grains at the dense core. CH3OH is thus present in an envelope around this position, while H2CO is present in both the envelope and the dense core itself. Conclusions. Photodesorption is an efficient mechanism to release complex molecules in low FUV-illuminated PDRs, where thermal desorption of ice mantles is ineffective.

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arXiv2013

The IRAM-30m line survey of the Horsehead PDR: III. High abundance of complex (iso-)nitrile molecules in UV-illuminated gas

Complex (iso-)nitrile molecules, such as CH3CN and HC3N, are relatively easily detected in our Galaxy and in other galaxies. We constrain their chemistry through observations of two positions in the Horsehead edge: the photo-dissociation region (PDR) and the dense, cold, and UV-shielded core just behind it. We systematically searched for lines of CH3CN, HC3N, C3N, and some of their isomers in our sensitive unbiased line survey at 3, 2, and 1mm. We derived column densities and abundances through Bayesian analysis using a large velocity gradient radiative transfer model. We report the first clear detection of CH3NC at millimeter wavelength. We detected 17 lines of CH3CN at the PDR and 6 at the dense core position, and we resolved its hyperfine structure for 3 lines. We detected 4 lines of HC3N, and C3N is clearly detected at the PDR position. We computed new electron collisional rate coefficients for CH3CN, and we found that including electron excitation reduces the derived column density by 40% at the PDR position. While CH3CN is 30 times more abundant in the PDR than in the dense core, HC3N has similar abundance at both positions. The isomeric ratio CH3NC/CH3CN is 0.15+-0.02. In the case of CH3CN, pure gas phase chemistry cannot reproduce the amount of CH3CN observed in the UV-illuminated gas. We propose that CH3CN gas phase abundance is enhanced when ice mantles of grains are destroyed through photo-desorption or thermal-evaporation in PDRs, and through sputtering in shocks. (abridged)

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arXiv2012

On the influence of collisional rate coefficients on the water vapour excitation

Water is a key molecule in many astrophysical studies. Its high dipole moment makes this molecule to be subthermally populated under the typical conditions of most astrophysical objects. This motivated the calculation of various sets of collisional rate coefficients (CRC) for H$_2$O (with He or H$_2$) which are necessary to model its rotational excitation and line emission. We performed accurate non--local non--LTE radiative transfer calculations using different sets of CRC in order to predict the line intensities from transitions that involve the lowest energy levels of H$_2$O (E $<$ 900 K). The results obtained from the different CRC sets are then compared using line intensity ratio statistics. For the whole range of physical conditions considered in this work, we obtain that the intensities based on the quantum and QCT CRC are in good agreement. However, at relatively low H$_2$ volume density ($n$(H$_2$) $<$ 10$^7$ cm$^{-3}$) and low water abundance ($χ$(H$_2$O) $<$ 10$^{-6}$), these physical conditions being relevant to describe most molecular clouds, we find differences in the predicted line intensities of up to a factor of $\sim$ 3 for the bulk of the lines. Most of the recent studies interpreting early Herschel Space Observatory spectra used the QCT CRC. Our results show that although the global conclusions from those studies will not be drastically changed, each case has to be considered individually, since depending on the physical conditions, the use of the QCT CRC may lead to a mis--estimate of the water vapour abundance of up to a factor of $\sim$ 3.

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arXiv2012

A KInetic Database for Astrochemistry (KIDA)

We present a novel chemical database for gas-phase astrochemistry. Named the KInetic Database for Astrochemistry (KIDA), this database consists of gas-phase reactions with rate coefficients and uncertainties that will be vetted to the greatest extent possible. Submissions of measured and calculated rate coefficients are welcome, and will be studied by experts before inclusion into the database. Besides providing kinetic information for the interstellar medium, KIDA is planned to contain such data for planetary atmospheres and for circumstellar envelopes. Each year, a subset of the reactions in the database (kida.uva) will be provided as a network for the simulation of the chemistry of dense interstellar clouds with temperatures between 10 K and 300 K. We also provide a code, named Nahoon, to study the time-dependent gas-phase chemistry of 0D and 1D interstellar sources.

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arXiv2011

Detection of HF emission from the Orion Bar

The clumpy density structure of photon-dominated regions is well established, but the physical properties of the clumps and of the surrounding interclump medium are only approximately known. The aim of this paper is to constrain the physical and chemical conditions in the Orion Bar, a prototypical nearby photon-dominated region. We present observations of the HF J=1-0 line, which appears in emission toward the Orion Bar, and compare the brightness of the line to non-LTE radiative transfer calculations. The large width of the HF line suggests an origin of the emission in the interclump gas, but collisional excitation by H2 in the interclump gas underpredicts the observed line intensity by factors of 3-5. In contrast, an origin of the line in the dense clumps requires a density of ~10^9 cm^-3, 10-100 times higher than previous estimates, which is unlikely. However, electron impact excitation reproduces our observations for T = 100 K and n(e) = 10 cm^-3, as expected for the interclump gas. We conclude that HF emission is a signpost of molecular gas with a high electron density. Similar conditions may apply to active galactic nuclei where HF also appears in emission.

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arXiv2011

First detection of Hydrogen Chloride towards protostellar shocks

We present the first detection of hydrogen chlorine in a protostellar shock, by observing the fundamental transition at 626 GHz with the Herschel HIFI spectrometer. We detected two of the three hyperfine lines, from which we derived a line opacity < 1. Using a non-LTE LVG code, we constrained the HCl column density, temperature and density of the emitting gas. The hypothesis that the emission originates in the molecular cloud is ruled out, as it would imply a too dense gas. Conversely, assuming that the emission originates in the 10"-15" size shocked gas previously observed at the IRAM PdB interferometer, we obtain: N(HCl)=0.7-2 x 10(13) cm-2, temperature > 15 K and density > 3 x 10(5) cm-3}. Combining with the Herschel HIFI CO(5-4) observations allows to further constrain the gas density and temperature, 10(5)-10(6) cm-3 and 120-250 K, as well as the HCl column density, 2 x 10(13) cm-2, and, finally, abundance: 3-6 x 10(-9). The estimated HCl abundance is consistent with that previously observed in low- and high- mass protostars. This puzzling result in the L1157-B1 shock, where species from volatile and refractory grains components are enhanced, suggests either that HCl is not the main reservoir of chlorine in the gas phase, against previous chemical models predictions, or that the elemental chlorine abundance is low in L1157-B1. Astrochemical modelling suggests that HCl is in fact formed in the gas phase, at low temperatures, prior to the occurance of the shock, and that the latter does not enhance its abundance.

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arXiv2010

First detection of ND in the solar-mass protostar IRAS16293-2422

In the past decade, much progress has been made in characterising the processes leading to the enhanced deuterium fractionation observed in the ISM and in particular in the cold, dense parts of star forming regions such as protostellar envelopes. Very high molecular D/H ratios have been found for saturated molecules and ions. However, little is known about the deuterium fractionation in radicals, even though simple radicals often represent an intermediate stage in the formation of more complex, saturated molecules. The imidogen radical NH is such an intermediate species for the ammonia synthesis in the gas phase. Herschel/HIFI represents a unique opportunity to study the deuteration and formation mechanisms of such species, which are not observable from the ground. We searched here for the deuterated radical ND in order to determine the deuterium fractionation of imidogen and constrain the deuteration mechanism of this species. We observed the solar-mass Class 0 protostar IRAS16293-2422 with the heterodyne instrument HIFI as part of the Herschel key programme CHESS (Chemical HErschel Surveys of Star forming regions). The deuterated form of the imidogen radical ND was detected and securely identified with 2 hyperfine component groups of its fundamental transition in absorption against the continuum background emitted from the nascent protostar. The 3 groups of hyperfine components of its hydrogenated counterpart NH were also detected in absorption. We derive a very high deuterium fractionation with an [ND]/[NH] ratio of between 30 and 100%. The deuterium fractionation of imidogen is of the same order of magnitude as that in other molecules, which suggests that an efficient deuterium fractionation mechanism is at play. We discuss two possible formation pathways for ND, by means of either the reaction of N+ with HD, or deuteron/proton exchange with NH.

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arXiv2010

Ortho-to-para ratio of interstellar heavy water

Despite the low elemental deuterium abundance in the Galaxy, enhanced molecular D/H ratios have been found in the environments of low-mass star forming regions, and in particular the Class 0 protostar IRAS 16293-2422. The CHESS (Chemical HErschel Surveys of Star forming regions) Key Program aims at studying the molecular complexity of the interstellar medium. The high sensitivity and spectral resolution of the HIFI instrument provide a unique opportunity to observe the fundamental 1,1,1 - 0,0,0 transition of the ortho-D2O molecule, inaccessible from the ground, and to determine the ortho-to-para D2O ratio. We have detected the fundamental transition of the ortho-D2O molecule at 607.35 GHz towards IRAS 16293-2422. The line is seen in absorption with a line opacity of 0.62 +/- 0.11 (1 sigma). From the previous ground-based observations of the fundamental 1,1,0 - 1,0,1 transition of para-D2O seen in absorption at 316.80 GHz we estimate a line opacity of 0.26 +/- 0.05 (1 sigma). We show that the observed absorption is caused by the cold gas in the envelope of the protostar. Using these new observations, we estimate for the first time the ortho to para D2O ratio to be lower than 2.6 at a 3 sigma level of uncertainty, to be compared with the thermal equilibrium value of 2:1.

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arXiv2010

The chemistry of vibrationally excited H2 in the interstellar medium

The internal energy available in vibrationally excited H2 molecules can be used to overcome or diminish the activation barrier of various chemical reactions of interest for molecular astrophysics. In this article we investigate in detail the impact on the chemical composition of interstellar clouds of the reactions of vibrationally excited H2 with C+, He+, O, OH, and CN, based on the available chemical kinetics data. It is found that the reaction of H2 (v>0) and C+ has a profound impact on the abundances of some molecules, especially CH+, which is a direct product and is readily formed in astronomical regions with fractional abundances of vibrationally excited H2, relative to ground state H2, in excess of 10^(-6), independently of whether the gas is hot or not. The effects of these reactions on the chemical composition of the diffuse clouds zeta Oph and HD 34078, the dense PDR Orion Bar, the planetary nebula NGC 7027, and the circumstellar disk around the B9 star HD 176386 are investigated through PDR models. We find that formation of CH+ is especially favored in dense and highly FUV illuminated regions such as the Orion Bar and the planetary nebula NGC 7027, where column densities in excess of 10^(13) cm^(-2) are predicted. In diffuse clouds, however, this mechanism is found to be not efficient enough to form CH+ with a column density close to the values derived from astronomical observations.

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arXiv2010

The rotational excitation of HCN and HNC by He: New insights on the HCN/HNC abundance ratio in molecular clouds

Modeling of molecular emission from interstellar clouds requires the calculation of rates for excitation by collisions with the most abundant species. The present paper focuses on the calculation of rate coefficients for rotational excitation of the HCN and HNC molecules in their ground vibrational state in collision with He. The calculations are based on new two-dimensional potential energy surfaces obtained from highly correlated \textit{ab initio} calculations. Calculations of pure rotational (de)excitation cross sections of HCN and HNC by He were performed using the essentially exact close-coupling method. Cross sections for transitions among the 8 first rotational levels of HCN and HNC were calculated for kinetic energies up to 1000 cm$^{-1}$. These cross sections were used to determine collisional rate constants for temperatures ranging from 5 K to 100 K. A propensity for even $Δj$ transitions is observed in the case of HCN--He collisions whereas a propensity for odd $Δj$ transitions is observed in the case of HNC--He collisions. The consequences for astrophysical models are evaluated and it is shown that the use of HCN rate coefficients to interpret HNC observations can lead to significant inaccuracies in the determination of the HNC abundance, in particular in cold dark clouds for which the new HNC rates show that the $j=1-0$ line of this species will be more easily excited by collisions than HCN. An important result of the new HNC-He rates is that the HNC/HCN abundance ratio derived from observations in cold clouds has to be revised from $>$1 to $\simeq$1, in good agreement with detailed chemical models available in the literature.

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arXiv2009

Physical structure and water line spectrum predictions of the Intermediate Mass protostar OMC2-FIR4

Aims. Intermediate Mass (IM) stars are an important component of our Galaxy, as they significantly contribute to the interstellar FUV field and, consequently, play an important role in the energy balance of the ISM. Despite their importance, very little is known about their formation process and only a few studies have been devoted to characterize the first phases in the evolution of intermediate mass protostars. Here we consider in great detail the case of the brightest and closest known young IM protostar: FIR4 in the OMC2 component of the Orion molecular cloud complex. Methods. We analyzed the available continuum emission (maps and SED) through one-dimensional dust radiative transfer calculations. We ran large grids of models to find the envelope model that best fits the data. The derived dust density and temperature profiles have been then used to compute the gas temperature profile, equating gas cooling and heating terms across the envelope. Last, we computed the water line spectrum for various possible values of water abundance. Results. The luminosity of FIR4 has been reevaluated to 1000 Lo, making FIR4 definitively an Intermediate Mass protostar. The envelope surrounding FIR4 has a relatively shallow density power law index, ~ 0.6. The most surprising result is that the gas and dust are thermally decoupled in the interior of the envelope, where the dust ices sublimate at 100 K. This has important consequences in the interpretation of the line data. We provide the predictions for the water spectrum, and discuss in detail the lines which will be observed by the Herschel Space Observatory .

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arXiv2008

On the chemistry and distribution of HOC+ in M82: More evidence for extensive PDRs

The molecular gas composition in the inner 1 kpc disk of the starburst galaxy M82 resembles that of Galactic Photon Dominated Regions (PDRs). In particular, large abundances of the reactive ions HOC+ and CO+ have been measured in the nucleus of this galaxy. To investigate the origin of the large abundances of reactive ions in M82, we have completed our previous 30m HOC+ J=1-0 observations with the higher excitation HCO+ and HOC+ J=4-3 and 3-2 rotational lines. In addition, we have obtained with the IRAM Plateau de Bure Interferometer (PdBI) a 4" resolution map of the HOC+ 1-0 emission, the first ever obtained in a Galactic or extragalactic source. Our HOC+ interferometric image shows that the emission of the HOC+ 1-0 line is mainly restricted to the nuclear disk, with the maxima towards the E. and W. molecular peaks. In addition, line excitation calculations imply that the HOC+ emission arises in dense gas. Therefore, the HOC+ emission is arising in the dense PDRs embedded in the M82 nuclear disk, rather than in the intercloud phase and/or wind. We have improved our previous chemical model of M82 by (i) using the new version of the Meudon PDR code, (ii) updating the chemical network, and (iii) considering two different types of clouds (with different thickness). Most molecular observations (HCO+, HOC+, CO+, CN, HCN, H3O+) are well explained assuming that ~ 87 % of the mass of the molecular gas is forming small clouds (Av=5 mag) while only ~ 13 % of the mass is in large molecular clouds (Av=50 mag). Such small number of large molecular clouds suggests that M82 is an old starburst, where star formation has almost exhausted the molecular gas reservoir.

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arXiv2007

Electron-impact rotational and hyperfine excitation of HCN, HNC, DCN and DNC

Rotational excitation of isotopologues of HCN and HNC by thermal electron-impact is studied using the molecular {\bf R}-matrix method combined with the adiabatic-nuclei-rotation (ANR) approximation. Rate coefficients are obtained for electron temperatures in the range 5$-$6000 K and for transitions among all levels up to J=8. Hyperfine rates are also derived using the infinite-order-sudden (IOS) scaling method. It is shown that the dominant rotational transitions are dipole allowed, that is those for which $ΔJ=1$. The hyperfine propensity rule $ΔJ=ΔF$ is found to be stronger than in the case of He$-$HCN collisions. For dipole allowed transitions, electron-impact rates are shown to exceed those for excitation of HCN by He atoms by 6 orders of magnitude. As a result, the present rates should be included in any detailed population model of isotopologues of HCN and HNC in sources where the electron fraction is larger than 10$^{-6}$, for example in interstellar shocks and comets.

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arXiv2007

Quasi-classical rate coefficient calculations for the rotational (de)excitation of H2O by H2

The interpretation of water line emission from existing observations and future HIFI/Herschel data requires a detailed knowledge of collisional rate coefficients. Among all relevant collisional mechanisms, the rotational (de)excitation of H2O by H2 molecules is the process of most interest in interstellar space. To determine rate coefficients for rotational de-excitation among the lowest 45 para and 45 ortho rotational levels of H2O colliding with both para and ortho-H2 in the temperature range 20-2000 K. Rate coefficients are calculated on a recent high-accuracy H2O-H2 potential energy surface using quasi-classical trajectory calculations. Trajectories are sampled by a canonical Monte-Carlo procedure. H2 molecules are assumed to be rotationally thermalized at the kinetic temperature. By comparison with quantum calculations available for low lying levels, classical rates are found to be accurate within a factor of 1-3 for the dominant transitions, that is those with rates larger than a few 10^{-12}cm^{3}s^{-1}. Large velocity gradient modelling shows that the new rates have a significant impact on emission line fluxes and that they should be adopted in any detailed population model of water in warm and hot environments.

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