arXiv subjects

P. Gratier

Publications and source records attributed to P. Gratier.

At least 19 recordsLinked to original sources

arXiv2026

Predicting CO and dust emission of star-forming galaxies

How do Dwarf Galaxies differ from spirals? Does star formation produce radio and far-infrared emission in the same way as in spiral galaxies? Radio, FarIR, and CO emission depend on gas density, temperature, magnetic field strength, and metallicity. The radio-FarIR correlation and Schmidt-Kennicutt relation characterize the links for Milky Way-like galaxies but do they hold for smaller objects, with different morphologies? Here we extend our previous work on the IR, line, and radio emission of local and high-z galaxies to local star-forming low-mass and dwarf galaxies. The calculation of the cosmic ray (CR) densities were improved compared to the previous version of the model. The CR ionization rate we found for the different galaxy samples is higher by a factor of three than for the solar neighborhood. This means that the mean yield of low-energy CR particles three times higher in external galaxies than was observed by Voyager I. The dependence of the N_H2/I_CO factor on the metallicity and stellar mass are calculated by the model. The weaker CO emission from low-metallicity galaxies is due to the large amount of (CO-dark) H_2 surrounding the regions where CO is not photo-dissociated. Within our model framework, star-forming low-mass and dwarf galaxies follow the radio-IR correlation.

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arXiv2026

Ice chemistry that can be unveiled with the JWST: SynthIceSpec, a synthetic spectrum generator to test spectral limits. Solid CO_2 as a dust thermometer and solid CH_3CN detectability in cold cores

As the (JWST) pursues its observing journey, several thousands of icy-grain spectra are expected to be measured and analysed. The inventory of ices in particular, via the observations of background sources, is accessible for hundreds of lines of sight (LOSs) per molecular-cloud region, opening the possibility to add strong constraints on the solid phase chemistry in a vast domain of cloud densities. SynthIceSpec is a synthetic infrared (IR) spectrum generator that has been designed as a tool to support observing proposals and to test the outcome of chemical models. It is based on laboratory measurements of pure and mixed ices, where each vibrational component is fitted by a sum of Gaussian profiles. Given an initial ice chemical composition (either set by the user or the outputs of a chemical model), a full JWST spectrum is generated, to which the contribution of silicates; continuum, stellar photospheric absorption bands; and extinction law can be added. For the continuum, stellar photospheric models for a wide range of spectral types can be selected by the program, or, Spectral Energy Distribution (SEDs). We present a few use cases of SynthIceSpec: we probed the impact of dust temperature on CO_2 ice formation using IR data and gas-grain modelling. Next, we used SynthIceSpec to explore the detectability of the main feature of CH_3CN at 4.45 um in a cold core environment with the JWST, which was previously tentatively detected in YSOs. The detection thresholds we derive are reasonably low and observable, but identification is directly impacted by the photosphere absorptions that can greatly hinder identification. For some photostellar types, it could remain feasible. Coupled with the Estimated Time Calculator of the Space Telescope Science Institute, SynthIceSpec can be used to find the optimum observational setup for new observations.

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arXiv2025

Chemical constraints on the dynamical evolution of the cold core L694

In star-forming regions, molecular cloud history and dynamics set the trend in the chemical composition. Ice formation, in particular, is affected by the evolution of physical conditions, which can lead to different ice compositions within the same cloud. In cold cores with medium densities >1e4 cm-3, low temperatures <15 K, and low UV radiation <G0, most COMs are formed on dust grain surfaces and are released back into the gas phase through non-thermal mechanisms. Studying both gas- and solid-phases can help observers to add constraints on the chemical and dynamical evolution of cold cores. We present a study of the cold core L694, observed with the IRAM 30m telescope. Observed species include CO (and its isotopologues) and CH3OH. We applied an inverted non-LTE radiative transfer code in order to obtain gas-phase abundances by deriving the column densities of the detected species from the spectroscopic parameters of the targeted molecular transitions, and from physical parameters derived from archival observations. This allowed us to probe the molecular abundances as a function of density and visual extinction. In parallel, we ran chemical models (both static and dynamic) to constrain the evolution time of the core by directly comparing the observations with the model outputs. We then compared the compositions of the cold cores L429-C and L694. The gas-phase abundances in L694 all exhibit a common depletion profile (with high variability in the depletion factor), as the core is identified to be in a more advanced (infalling) state compared to L429-C. The physical parameters of the two cores are, however, very similar, leading to close evolutionary timescales in our static models. The dynamical model fails to reproduce the CO gas-phase abundances at high density, predicting an evolutionary timescale that is too short compared to static models.

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arXiv2024

Predicting HCN, HCO$^+$, multi-transition CO, and dust emission of star-forming galaxies -- Extension to luminous infrared galaxies and the role of cosmic ray ionization

The specific star-formation rate of star-forming `main sequence' galaxies significantly decreased since z~1.5, due to the decreasing molecular gas fraction and star formation efficiency. However, the radio-infrared (IR) correlation has not changed significantly since z~1.5. The theory of turbulent clumpy starforming gas disks together with the scaling relations of the interstellar medium describes the large and small-scale properties of galactic gas disks. Here we extend our previous work on infrared, multi-transition molecular line, and radio continuum emission of local and high-z starforming and starburst galaxies to local and z~0.5 luminous infrared galaxies. The model reproduces the IR luminosities, CO, HCN, and HCO+ line luminosities, and the CO spectral line energy distributions of these galaxies. We derive CO(1-0) and HCN(1-0) conversion factors for all galaxy samples. The relation between the star formation rate per unit area and H2 surface density cannot be fit simply for all redshifts. There is a tight correlation between the star formation efficiency and the product of the gas turbulent velocity dispersion and the angular velocity of the galaxies. Galaxies of lower stellar masses can in principle compensate their gas consumption via star formation by radial viscous gas accretion. The limiting stellar mass increases with redshift. Whereas the radio continuum emission is directly proportional to the density of cosmic ray (CR) electrons, the molecular line emission depends on the CR ionization rate via the gas chemistry. The normalization of the CR ionization rate found for the different galaxy samples is about a factor of three to five higher than the normalization for the Solar neighborhood. This means that the mean yield of low energy CR particles for a given star formation rate per unit area is about three to ten times higher in external galaxies than observed by Voyager I.

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arXiv2024

The 2024 KIDA network for interstellar chemistry

The study of the chemical composition of the interstellar medium (ISM) requires a strong synergy between laboratory astrophysics, modeling, and observations. In particular, astrochemical models have been developed for decades now and include an increasing number of processes studied in the laboratory or theoretically. These models follow the chemistry both in the gas phase and at the surface of interstellar grains. Since 2012, we have provided complete gas-phase chemical networks for astrochemical codes that can be used to model various environments of the ISM. Our aim is to introduce the new up-to-date astrochemical network kida.uva.2024 together with the ice chemical network and the fortran code to compute time dependent compositions of the gas, the ice surface, and the ice mantles under physical conditions relevant for the ISM. The gas-phase chemical reactions, as well as associated rate coefficients, included in kida.uva.2024 were carefully selected from the KIDA online database and represent the most recent values. The model predictions for cold core conditions and for when considering only gas-phase processes were computed as a function of time and compared to the predictions obtained with the previous version, kida.uva.2014. In addition, key chemical reactions were identified. The model predictions, including both gas and surface processes, were compared to the molecular abundances as observed in the cold core TMC1-CP. Many gas-phase reactions were revised or added to produce kida.uva.2024. The new model predictions are different by several orders of magnitude for some species. The agreement of this new model with observations in TMC-1 (CP) is, however, similar to the one obtained with the previous network.

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arXiv2023

HCN emission from translucent gas and UV-illuminated cloud edges revealed by wide-field IRAM 30m maps of Orion B GMC: Revisiting its role as tracer of the dense gas reservoir for star formation

We present 5 deg^2 (~250 pc^2) HCN, HNC, HCO+, and CO J=1-0 maps of the Orion B GMC, complemented with existing wide-field [CI] 492 GHz maps, as well as new pointed observations of rotationally excited HCN, HNC, H13CN, and HN13C lines. We detect anomalous HCN J=1-0 hyperfine structure line emission almost everywhere in the cloud. About 70% of the total HCN J=1-0 luminosity arises from gas at A_V < 8 mag. The HCN/CO J=1-0 line intensity ratio shows a bimodal behavior with an inflection point at A_V < 3 mag typical of translucent gas and UV-illuminated cloud edges. We find that most of the HCN J=1-0 emission arises from extended gas with n(H2) ~< 10^4 cm^-3, even lower density gas if the ionization fraction is > 10^-5 and electron excitation dominates. This result explains the low-A_V branch of the HCN/CO J=1-0 intensity ratio distribution. Indeed, the highest HCN/CO ratios (~0.1) at A_V < 3 mag correspond to regions of high [CI] 492 GHz/CO J=1-0 intensity ratios (>1) characteristic of low-density PDRs. Enhanced FUV radiation favors the formation and excitation of HCN on large scales, not only in dense star-forming clumps. The low surface brightness HCN and HCO+ J=1-0 emission scale with I_FIR (a proxy of the stellar FUV radiation field) in a similar way. Together with CO J=1-0, these lines respond to increasing I_FIR up to G0~20. On the other hand, the bright HCN J=1-0 emission from dense gas in star-forming clumps weakly responds to I_FIR once the FUV radiation field becomes too intense (G0>1500). The different power law scalings (produced by different chemistries, densities, and line excitation regimes) in a single but spatially resolved GMC resemble the variety of Kennicutt-Schmidt law indexes found in galaxy averages. As a corollary for extragalactic studies, we conclude that high HCN/CO J=1-0 line intensity ratios do not always imply the presence of dense gas.

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arXiv2023

The extremely sharp transition between molecular and ionized gas in the Horsehead nebula

(Abridged) Massive stars can determine the evolution of molecular clouds with their strong ultraviolet (UV) radiation fields. Moreover, UV radiation is relevant in setting the thermal gas pressure in star-forming clouds, whose influence can extend from the rims of molecular clouds to entire star-forming galaxies. Probing the fundamental structure of nearby molecular clouds is therefore crucial to understand how massive stars shape their surrounding medium and how fast molecular clouds are destroyed, specifically at their UV-illuminated edges, where models predict an intermediate zone of neutral atomic gas between the molecular cloud and the surrounding ionized gas whose size is directly related to the exposed physical conditions. We present the highest angular resolution (~$0.5$", corresponding to $207$ au) and velocity-resolved images of the molecular gas emission in the Horsehead nebula, using CO J=3-2 and HCO$^+$ J=4-3 observations with ALMA. We find that CO and HCO$^+$ are present at the edge of the cloud, very close to the ionization (H$^+$/H) and dissociation fronts (H/H$_2$), suggesting a very thin layer of neutral atomic gas (<$650$ au) and a small amount of CO-dark gas ($A_V=0.006-0.26$ mag) for stellar UV illumination conditions typical of molecular clouds in the Milky Way. The new ALMA observations reveal a web of molecular gas filaments with an estimated thermal gas pressure of $P_{\mathrm{th}} = (2.3 - 4.0) \times 10^6$ K cm$^{-3}$, and the presence of a steep density gradient at the cloud edge that can be well explained by stationary isobaric PDR models with pressures consistent with our estimations. However, in the HII region and PDR interface, we find $P_{\mathrm{th,PDR}} > P_{\mathrm{th,HII}}$, suggesting the gas is slightly compressed. Therefore, dynamical effects cannot be completely ruled out and even higher angular observations will be needed to unveil their role.

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arXiv2023

Astrochemical models of interstellar ices: History matters

Ice is ubiquitous in the interstellar medium. We model the formation of the main constituents of interstellar ices, including H2O, CO2 , CO, and CH3 OH. We strive to understand what physical or chemical parameters influence the final composition of the ice and how they benchmark to what has already been observed, with the aim of applying these models to the preparation and analysis of JWST observations. We used the Nautilus gas-grain model, which computes the gas and ice composition as a function of time for a set of physical conditions, starting from an initial gas phase composition. All important processes (gas-phase reactions, gas-grain interactions, and grain surface processes) are included and solved with the rate equation approximation. We first ran an astrochemical code for fixed conditions of temperature and density mapped in the cold core L429-C to benchmark the chemistry. One key parameter was revealed to be the dust temperature. When the dust temperature is higher than 12 K, CO2 will form efficiently at the expense of H2O, while at temperatures below 12 K, it will not form. Whatever hypothesis we assumed for the chemistry (within realistic conditions), the static simulations failed to reproduce the observed trends of interstellar ices in our target core. In a second step, we simulated the chemical evolution of parcels of gas undergoing different physical and chemical situations throughout the molecular cloud evolution and starting a few 1e7 yr prior to the core formation (dynamical simulations). Our dynamical simulations satisfactorily reproduce the main trends already observed for interstellar ices. Moreover, we predict that the apparent constant ratio of CO2/H2O observed to date is probably not true for regions of low AV , and that the history of the evolution of clouds plays an essential role, even prior to their formation.

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arXiv2023

Constraints on the non-thermal desorption of methanol in the cold core LDN 429-C

Cold cores are an early step of star formation, characterized by densities > 10$^4$ cm$^{-3}$, low temperatures (< 15 K), and very low external UV radiation. We investigate the physico-chemical processes at play to tracing the origin of molecules that are predominantly formed via reactions on dust grain surfaces. We observed the cold core LDN 429-C with the NOEMA interferometer and the IRAM 30m single dish telescope in order to obtain the gas-phase abundances of key species, including CO and CH$_3$OH. Comparing the observed gas phase of methanol to its solid phase previously observed with Spitzer allows us to put quantitative constraints on the efficiency of the non-thermal desorption of this species. With physical parameters determined from available Herschel data, we computed abundance maps of 11 detected molecules with a non-local thermal equilibrium radiative transfer model. These observations allowed us to probe the molecular abundances as a function of density and visual extinction, with the variation in temperature being restrained between 12 and 18 K. We then compared the observed abundances to the predictions of the Nautilus astrochemical model. We find that all molecules have lower abundances at high densities and visual extinctions with respect to lower density regions, except for methanol. Comparing these observations with a grid of chemical models based on the local physical conditions, we were able to reproduce these observations, allowing only the parameter time to vary. Comparing the observed gas-phase abundance of methanol with previous measurements of the methanol ice, we estimate a non-thermal desorption efficiency between 0.002% and 0.09%, increasing with density. The apparent increase in the desorption efficiency cannot be reproduced by our model unless the yield of cosmic-ray sputtering is altered due to the ice composition varying as a function of density.

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arXiv2022

Confirmation of the outflow in L1451-mm: SiO line and CH$_3$OH maser detections

The observational counterparts of theoretically predicted first hydrostatic cores (FHSC) have been searched for in the interstellar medium for nearly two decades now. Distinguishing them from other types of more evolved but still embedded objects remains a challenge because these objects have a short lifetime, are small, and embedded in a dense cocoon. One possible lead to finding them is the characterization of the outflows that are launched by these objects. We observed the L1451-mm FHSC candidate with the NOEMA interferometer in order to study the emission of several molecules. A nonlocal thermodynamic equilibrium analysis of the CH$_3$OH detected lines was performed to retrieve the physical conditions of the emitting region around the central source, together with the CH$_3$OH, SiO, CS, and H$_2$CO column densities. Of the targeted molecules, we detected lines of c-C$_3$H$_2$, CH$_3$OH, CS, C$^{34}$S, SO, DCN, DCO$^+$, H$_2$CO, HC$_3$N, HDCO, and SiO. One of the methanol lines appears to be a maser line. The detection of this class I maser and the SiO line in L1451-mm support the presence of a low-velocity and compact outflow. The excitation conditions of the thermal lines of methanol are also compatible with shocks (H$_2$ density of $\sim 3\times 10^6$~cm$^{-3}$ and a temperature higher than 40~K). Although these low-velocity outflows are theoretically predicted by some models of FHSC, these models also predict the shock temperature to be below 20~K, that is, not evaporating methanol. In addition, the predicted velocities would not erode the grains and release silicon in the gas phase. We therefore conclude that these new observations favor the hypothesis that L1451-mm would be at a very early protostellar stage, launching an outflow nearly on the plane of the sky with a higher velocity than is observed.

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arXiv2022

From the Circumnuclear Disk in the Galactic Center to thick, obscuring tori of AGNs -- Modelling the molecular emission of a parsec-scale torus as found in NGC1068

The accretion rates needed to fuel the central black hole in a galaxy can be achieved via viscous torques in thick disks and rings, which can be resolved by millimetre interferometry within the inner ~20pc of the active galaxy NGC1068 at comparable scales and sensitivity to single dish observations of the Circumnuclear Disk (CND) in the Galactic Center. To interpret observations of these regions and determine the physical properties of their gas distribution, we present a modelling effort that includes (i) a simple dynamical simulations involving partially inelastic collisions between disk gas clouds, (ii) an analytical model of a turbulent clumpy gas disk calibrated by the dynamical model and observations, (iii) local turbulent and cosmic ray gas heating and cooling via H2O, H2, and CO emission, and (iv) determination of the molecular abundances. We also consider photodissociation regions (PDR) where gas is directly illuminated by the central engine. We compare the resulting model datacubes of the CO, HCN, HCO+, and CS brightness temperatures to available observations. In both cases the kinematics can be explained by one or two clouds colliding with a pre-existing ring, in a prograde sense for the CND and retrograde for NGC1068. And, with only dense disk clouds, the line fluxes can be reproduced to within a factor of about two. To avoid self-absorption of the intercloud medium, turbulent heating at the largest scales, comparable to the disk height, has to be decreased by a factor of 50-200. Our models indicate that turbulent mechanical energy input is the dominant gas heating mechanism within the thick gas disks. In N1068, while the bulk of the AGN X-ray radiation is absorbed in a layer of Compton-thick gas inside the dust sublimation radius, the optical/UV radiation may enhance the molecular line emission from photodissociation regions by ~50% at the inner edge of the gas ring.

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arXiv2022

Predicting HCN, HCO + , multi-transition CO, and dust emission of star-forming galaxies: Constraining the properties of resolved gas and dust disks of local spiral galaxies

The ISM is a turbulent, multi-phase, and multi-scale medium following scaling relations. Analytical models of galactic gaseous disks need to take into account the multi-scale and multi-phase nature of the interstellar medium. They can be described as clumpy star-forming accretion disks in vertical hydrostatic equilibrium, with the mid-plane pressure balancing the gravity of the gaseous and stellar disk. ISM turbulence is taken into account by applying Galactic scaling relations to the cold atomic and molecular gas phases. Turbulence is maintained through energy injection by supernovae. With the determination of the gas mass fraction at a given spatial scale, the equilibrium gas temperature between turbulent heating and line cooling, the molecular abundances, and the molecular line emission can be calculated. The resulting model radial profiles of IR, H{\sc i}, CO, HCN, and HCO$^+$ emission are compared to THINGS, HERACLES, EMPIRE, SINGS, and GALEX observations of 17 local spiral galaxies. The Toomre parameter, which measures the stability against star formation (cloud collapse), exceeds unity in the inner disk of a significant number of galaxies. In two galaxies it also exceeds unity in the outer disk. Therefore, in spiral galaxies $Q_{\rm tot}=1$ is not ubiquitous. The model gas velocity dispersion is consistent with the observed H{\sc i} velocity dispersion where available. Within our model HCN and HCO$^+$ is already detectable in relatively low-density gas ($\sim 1000$~cm$^{-3}$). CO and HCN conversion factors and molecular gas depletion time were derived. Both conversion factors are consistent with values found in the literature. Whereas in the massive galaxies the viscous timescale greatly exceeds the star formation timescale, the viscous timescale is smaller than the star formation timescale within $\rm{R}~\sim~2~\rm{R}_{\rm d}$, the disk scale length, in the low-mass galaxies.

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arXiv2021

Chemical compositions of five Planck cold clumps

Aims: Interstellar molecules form early in the evolutionary sequence of interstellar material that eventually forms stars and planets. To understand this evolutionary sequence, it is important to characterize the chemical composition of its first steps. Methods: In this paper, we present the result of a 2 and 3 mm survey of five cold clumps identified by the Planck mission. We carried out a radiative transfer analysis on the detected lines in order to put some constraints on the physical conditions within the cores and on the molecular column densities. We also performed chemical models to reproduce the observed abundances in each source using the gas-grain model Nautilus. Results: Twelve molecules were detected: H2CO, CS, SO, NO, HNO, HCO+, HCN, HNC, CN, CCH, CH3OH, and CO. Here, CCH is the only carbon chain we detected in two sources. Radiative transfer analyses of HCN, SO, CS, and CO were performed to constrain the physical conditions of each cloud with limited success. The sources have a density larger than $10^4$ cm$^{-3}$ and a temperature lower than 15 K. The derived species column densities are not very sensitive to the uncertainties in the physical conditions, within a factor of 2. The different sources seem to present significant chemical differences with species abundances spreading over one order of magnitude. The chemical composition of these clumps is poorer than the one of Taurus Molecular Cloud 1 Cyanopolyyne Peak (TMC-1 CP) cold core. Our chemical model reproduces the observational abundances and upper limits for 79 to 83\% of the species in our sources. The "best" times for our sources seem to be smaller than those of TMC-1, indicating that our sources may be less evolved and explaining the smaller abundances and the numerous non-detections. Also, CS and HCN are always overestimated by our models.

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arXiv2020

Influence of galactic arm scale dynamics on the molecular composition of the cold and dense ISM III. Elemental depletion and shortcomings of the current physico-chemical models

We present a study of the elemental depletion in the interstellar medium. We combined the results of a Galatic model describing the gas physical conditions during the formation of dense cores with a full-gas-grain chemical model. During the transition between diffuse and dense medium, the reservoirs of elements, initially atomic in the gas, are gradually depleted on dust grains (with a phase of neutralisation for those which are ions). This process becomes efficient when the density is larger than 100~cm$^{-3}$. If the dense material goes back into diffuse conditions, these elements are brought back in the gas-phase because of photo-dissociations of the molecules on the ices followed by thermal desorption from the grains. Nothing remains on the grains for densities below 10~cm$^{-3}$ or in the gas-phase in a molecular form. One exception is chlorine, which is efficiently converted at low density. Our current gas-grain chemical model is not able to reproduce the depletion of atoms observed in the diffuse medium except for Cl which gas abundance follows the observed one in medium with densities smaller than 10~cm$^{-3}$. This is an indication that crucial processes (involving maybe chemisorption and/or ice irradiation profoundly modifying the nature of the ices) are missing.

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arXiv2019

Rotation of molecular clouds in M~51

The grand-design spiral galaxy M~51 was observed at 40pc resolution in CO(1--0) by the PAWS project. A large number of molecular clouds were identified and we search for velocity gradients in two high signal-to-noise subsamples, containing 682 and 376 clouds. The velocity gradients are found to be systematically prograde oriented, as was previously found for the rather flocculent spiral M~33. This strongly supports the idea that the velocity gradients reflect cloud rotation, rather than more random dynamical forces, such as turbulence. Not only are the gradients prograde, but their $\frac{\partial v}{\partial x}$ and $\frac{\partial v}{\partial y}$ coefficients follow galactic shear in sign, although with a lower amplitude. No link is found between the orientation of the gradient and the orientation of the cloud. The values of the cloud angular momenta appear to be an extension of the values noted for galactic clouds despite the orders of magnitude difference in cloud mass. Roughly 30\% of the clouds show retrograde velocity gradients. For a strictly rising rotation curve, as in M~51, gravitational contraction would be expected to yield strictly prograde rotators within an axisymmetric potential. In M~51, the fraction of retrograde rotators is found to be higher in the spiral arms than in the disk as a whole. Along the leading edge of the spiral arms, a majority of the clouds are retrograde rotators. While this work should be continued on other nearby galaxies, the M~33 and M~51 studies have shown that clouds rotate and that they rotate mostly prograde, although the amplitudes are not such that rotational energy is a significant support mechanism against gravitation. In this work, we show that retrograde rotation is linked to the presence of a spiral gravitational potential.

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arXiv2019

Abundances of sulphur molecules in the Horsehead nebula. First NS+ detection in a photodissociation region

Aims. Our goal is to complete the inventory of S-bearing molecules and their abundances in the prototypical photodissociation region (PDR) the Horsehead nebula to gain insight into sulphur chemistry in UV irradiated regions. Based on the WHISPER millimeter (mm) line survey, our goal is to provide an improved and more accurate description of sulphur species and their abundances towards the core and PDR positions in the Horsehead. Methods. The Monte Carlo Markov chain (MCMC) methodology and the molecular excitation and radiative transfer code RADEX were used to explore the parameter space and determine physical conditions and beam-averaged molecular abundances. Results. A total of 13 S-bearing species (CS, SO, SO2, OCS, H2CS - both ortho and para - HDCS, C2S, HCS+, SO+, H2S, S2H, NS and NS+) have been detected in the two targeted positions. This is the first detection of SO+ in the Horsehead and the first detection of NS+ in any PDR. We find a differentiated chemical behaviour between C-S and O-S bearing species within the nebula. The C-S bearing species C2S and o-H2CS present fractional abundances a factor grater than two higher in the core than in the PDR. In contrast, the O-S bearing molecules SO, SO2, and OCS present similar abundances towards both positions. A few molecules, SO+, NS, and NS+, are more abundant towards the PDR than towards the core, and could be considered as PDR tracers. Conclusions. This is the first complete study of S-bearing species towards a PDR. Our study shows that CS, SO, and H2S are the most abundant S-bearing molecules in the PDR with abundances of a few 1E-9. We recall that SH, SH+, S, and S+ are not observable at the wavelengths covered by the WHISPER survey. At the spatial scale of our observations, the total abundance of S atoms locked in the detected species is < 1E-8, only ~0.1% of the cosmic sulphur abundance.

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arXiv2019

Influence of galactic arm scale dynamics on the molecular composition of the cold and dense ISM II. Molecular oxygen abundance

Molecular oxygen has been the subject of many observational searches as chemical models predicted it to be a reservoir of oxygen. Although it has been detected in two regions of the interstellar medium, its rarity is a challenge for astrochemical models. In this paper, we have combined the physical conditions computed with smoothed particle hydrodynamics (SPH) simulations with our full gas-grain chemical model Nautilus, to study the predicted O2 abundance in interstellar material forming cold cores. We thus follow the chemical evolution of gas and ices in parcels of material from the diffuse interstellar conditions to the cold dense cores. Most of our predicted O2 abundances are below 1e-8 (with respect to the total proton density) and the predicted column densities in simulated cold cores is at maximum a few 1e14 cm-2, in agreement with the non detection limits. This low O2 abundance can be explained by the fact that, in a large fraction of the interstellar material, the atomic oxygen is depleted onto the grain surface (and hydrogenated to form H2O) before O2 can be formed in the gas-phase and protected from UV photo-dissociations. We could achieve this result only because we took into account the full history of the evolution of the physical conditions from the diffuse medium to the cold cores.

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arXiv2019

Gas phase Elemental abundances in Molecular cloudS (GEMS) I. The prototypical dark cloud TMC 1

GEMS is an IRAM 30m Large Program whose aim is determining the elemental depletions and the ionization fraction in a set of prototypical star-forming regions. This paper presents the first results from the prototypical dark cloud TMC 1. Extensive millimeter observations have been carried out with the IRAM 30m telescope (3mm and 2mm) and the 40m Yebes telescope (1.3cm and 7mm) to determine the fractional abundances of CO, HCO+, HCN, CS, SO, HCS+, and N2H+ in three cuts which intersect the dense filament at the well-known positions TMC 1-CP, TMC 1-NH3, and TMC 1-C, covering a visual extinction range from Av~3 to ~20mag. Two phases with differentiated chemistry can be distinguished: i) the translucent envelope with molecular hydrogen densities of (1-5)x10$^3$ cm$^{-3}$; and ii) the dense phase, located at Av>10mag, with molecular hydrogen densities >10$^4$ cm$^{-3}$. Observations and modeling show that the gas phase abundances of C and O progressively decrease along the C+/C/CO transition zone where C/H~8x10$^{-5}$ and C/O~0.8-1, until the beginning of the dense phase at Av~10 mag. This is consistent with the grain temperatures being below the CO evaporation temperature in this region. In the case of sulfur, a strong depletion should occur before the translucent phase where we estimate a S/H~(0.4 - 2.2) x10$^{-6}$, an abundance ~7-40 times lower than the solar value. A second strong depletion must be present during the formation of the thick icy mantles to achieve the values of S/H measured in the dense cold cores (S/H~8x10$^{-8}$). Based on our chemical modeling, we constrain the value of $ζ_{\rm H_2}$ to ~(0.5 - 1.8) x10$^{-16}$ s$^{-1}$ in the translucent cloud.

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