Modelling the sulphur chemistry evolution in Orion KL

We study the sulphur chemistry evolution in the Orion KL along the gas and grain phases of the cloud. We investigate the processes that dominate the sulphur chemistry and to determine how physical and chemical parameters, such as the final star mass and the initial elemental abundances, influence the evolution of the hot core and of the surrounding outflows and shocked gas (the plateau). We independently modelled the chemistry evolution of both components using the time-dependent gas-grain model UCL_CHEM and considering two different phase calculations. Phase I starts with the collapsing cloud and the depletion of atoms and molecules onto grain surfaces. Phase II starts when a central protostar is formed and the evaporation from grains takes place. We show how the gas density, the gas depletion efficiency, the initial sulphur abundance, the shocked gas temperature and the different chemical paths on the grains leading to different reservoirs of sulphur on the mantles affect sulphur-bearing molecules at different evolutionary stages. We also compare the predicted column densities with those inferred from observations of the species SO, SO2, CS, OCS, H2S and H2CS. The models that reproduce the observations of the largest number of sulphur-bearing species are those with an initial sulphur abundance of 0.1 times the sulphur solar abundance and a density of at least n_H=5x10^6 cm^-3 in the shocked gas region. We conclude that most of the sulphur atoms were ionised during Phase I, consistent with an inhomogeneous and clumpy region where the UV interstellar radiation penetrates leading to sulphur ionisation. We also conclude that the main sulphur reservoir on the ice mantles was H2S. In addition, we deduce that a chemical transition currently takes place in the shocked gas, where SO and SO2 gas-phase formation reactions change from being dominated by O2 to being dominated by OH.Comment: 14 pages, 28 figures, 6 table

A line confusion-limited millimeter survey of Orion KL. III. Sulfur oxide species

We present a study of the sulfur-bearing species detected in a line confusion-limited survey towards Orion KL performed with the IRAM 30m telescope in the range 80-281 GHz. The study is part of an analysis of the line survey divided into families of molecules. Our aim is to derive accurate physical conditions and molecular abundances in the different components of Orion KL from observed SO and SO2 lines. First we assumed LTE conditions obtain rotational temperatures. We then used a radiative transfer model, assuming either LVG or LTE excitation to derive column densities of these molecules in the different components of Orion KL. We have detected 68 lines of SO, 34SO, 33SO, and S18O and 653 lines of SO2, 34SO2, 33SO2, SO18O and SO2 v2=1. We provide column densities for all of them and also upper limits for the column densities of S17O, 36SO, 34S18O, SO17O and 34SO2 v2=1 and for several undetected sulfur-bearing species. In addition, we present 2'x2' maps around Orion IRc2 of SO2 transitions with energies from 19 to 131 K and also maps with four transitions of SO, 34SO and 34SO2. We observe an elongation of the gas along the NE-SW direction. An unexpected emission peak appears at 20.5 km/s in most lines of SO and SO2. A study of the spatial distribution of this emission feature shows that it is a new component ~5" in diameter, which lies ~4" west of IRc2. We suggest the emission from this feature is related to shocks associated to the BN object. The highest column densities for SO and SO2 are found in the high-velocity plateau (a region dominated by shocks) and in the hot core. These values are up to three orders of magnitude higher than the results for the ridge components. We also find high column densities for their isotopologues in both components. Therefore, we conclude that SO and SO2 are good tracers, not only of regions affected by shocks, but also of regions with warm dense gas.Comment: Paper (ref AA/2013/21285) accepted for publication by A&A. 52 Pages, 26 figures, 13 table

Extended warm gas in Orion KL as probed by methyl cyanide

In order to study the temperature distribution of the extended gas within the Orion Kleinmann-Low nebula, we have mapped the emission by methyl cyanide (CH3CN) in its J=6_K-5_K, J=12_K-11_K, J=13_K-12_K, and J=14_K-13_K transitions at an average angular resolution of ~10 arcsec (22 arcsec for the 6_K-5_K lines), as part of a new 2D line survey of this region using the IRAM 30m telescope. These fully sampled maps show extended emission from warm gas to the northeast of IRc2 and the distinct kinematic signatures of the hot core and compact ridge source components. We have constructed population diagrams for the four sets of K-ladder emission lines at each position in the maps and have derived rotational excitation temperatures and total beam-averaged column densities from the fitted slopes. In addition, we have fitted LVG model spectra to the observations to determine best-fit physical parameters at each map position, yielding the distribution of kinetic temperatures across the region. The resulting temperature maps reveal a region of hot (T > 350 K) material surrounding the northeastern edge of the hot core, whereas the column density distribution is more uniform and peaks near the position of IRc2. We attribute this region of hot gas to shock heating caused by the impact of outflowing material from active star formation in the region, as indicated by the presence of broad CH3CN lines. This scenario is consistent with predictions from C-shock chemical models that suggest that gas-phase methyl cyanide survives in the post-shock gas and can be somewhat enhanced due to sputtering of grain mantles in the passing shock front.Comment: 24 pages, 20 figures, accepted for publication in A&

A combined IRAM and Herschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC3N

We present a study of cyanoacetylene (HC3N) and cyanodiacetylene (HC5N) in Orion KL, through observations from two line surveys performed with the IRAM 30m telescope and the HIFI instrument on board the Herschel telescope. The frequency ranges covered are 80-280 GHz and 480-1906 GHz. We model the observed lines of HC3N, HC5N, their isotopologues (including DC3N), and vibrational modes, using a non-LTE radiative transfer code. To investigate the chemical origin of HC3N and DC3N in Orion KL, we use a time-dependent chemical model. We detect 40 lines of the ground state of HC3N and 68 lines of its 13C isotopologues. We also detect 297 lines of six vibrational modes of this molecule (nu_7, 2nu_7, 3nu_7, nu_6, nu_5, and nu_6+nu_7) and 35 rotational lines of the ground state of HC5N. We report the first tentative detection of DC3N in a giant molecular cloud with a DC3N/HC3N abundance ratio of 0.015. We provide column densities and isotopic and molecular abundances. We also perform a 2x2" map around Orion IRc2 and we present maps of HC3N lines and maps of lines of the HC3N vibrational modes nu_6 and nu_7. In addition, a comparison of our results for HC3N with those in other clouds allows us to derive correlations between the column density, the FWHM, the mass, and the luminosity of the clouds. The high column densities of HC3N obtained in the hot core, make this molecule an excellent tracer of hot and dense gas. In addition, the large frequency range covered reveals the need to consider a temperature and density gradient in the hot core in order to obtain better line fits. The high D/H ratio (comparable to that obtained in cold clouds) that we derive suggests a deuterium enrichment. Our chemical models indicate that the possible deuterated HC3N present in Orion KL is formed during the gas-phase. This fact provides new hints concerning the processes leading to deuteration.Comment: 50 pages, 33 figures, 13 tables. Accepted for publication in A&

Erratum: Surface chemistry in photodissociation regions (vol 591, A52, 2016)

Laboratory astrophysics and astrochemistr

Evolution of Chemistry in the envelope of Hot Corinos (ECHOS). I. Extremely young sulphur chemistry in the isolated Class 0 object B335

Within the project Evolution of Chemistry in the envelope of HOt corinoS (ECHOS), we present a study of sulphur chemistry in the envelope of the Class 0 source B335 through observations in the spectral range 7, 3, and 2 mm. We have modelled observations assuming LTE and LVG approximation. We have also used the code Nautilus to study the time evolution of sulphur species. We have detected 20 sulphur species with a total gas-phase S abundance similar to that found in the envelopes of other Class 0 objects, but with significant differences in the abundances between sulphur carbon chains and sulphur molecules containing oxygen and nitrogen. Our results highlight the nature of B335 as a source especially rich in sulphur carbon chains unlike other Class 0 sources. The low presence or absence of some molecules, such as SO and SO+, suggests a chemistry not particularly influenced by shocks. We, however, detect a large presence of HCS+ that, together with the low rotational temperatures obtained for all the S species (<15 K), reveals the moderate or low density of the envelope of B335. We also find that observations are better reproduced by models with a sulphur depletion factor of 10 with respect to the sulphur cosmic elemental abundance. The comparison between our model and observational results for B335 reveals an age of 10$^4$$<$t$<$10$^5$ yr, which highlights the particularly early evolutionary stage of this source. B335 presents a different chemistry compared to other young protostars that have formed in dense molecular clouds, which could be the result of accretion of surrounding material from the diffuse cloud onto the protostellar envelope of B335. In addition, the analysis of the SO2/C2S, SO/CS, and HCS+/CS ratios within a sample of prestellar cores and Class 0 objects show that they could be used as good chemical evolutionary indicators of the prestellar to protostellar transition

Gas phase Elemental abundances in Molecular cloudS (GEMS) VI. A sulphur journey across star-forming regions: study of thioformaldehyde emission

In the context of the IRAM 30m Large Program GEMS, we present a study of thioformaldehyde in several starless cores located in star-forming filaments of Taurus, Perseus, and Orion. We investigate the influence of the environmental conditions on the abundances of these molecules in the cores, and the effect of time evolution. We have modelled the observed lines of H2CS, HDCS, and D2CS using the radiative transfer code RADEX. We have also used the chemical code Nautilus to model the evolution of these species depending on the characteristics of the starless cores. We derive column densities and abundances for all the cores. We also derive deuterium fractionation ratios, Dfrac, to determine and compare the evolutionary stage between different parts of each star-forming region. Our results indicate that the north region of the B213 filament in Taurus is more evolved than the south, while the north-eastern part of Perseus presents an earlier evolutionary stage than the south-western zone. Model results also show that Dfrac decreases with the cosmic-ray ionisation rate, while it increases with density and with the degree of sulphur depletion. In particular, we only reproduce the observations when the initial sulphur abundance in the starless cores is at least one order of magnitude lower than the solar elemental sulphur abundance. The progressive increase in HDCS/H2CS and D2CS/H2CS with time makes these ratios powerful tools for deriving the chemical evolutionary stage of starless cores. However, they cannot be used to derive the temperature of these regions, since both ratios present a similar evolution at two different temperature ranges (7-11 K and 15-19 K). Regarding chemistry, (deuterated) thioformaldehyde is mainly formed through gas-phase reactions (double-replacement and neutral-neutral displacement reactions), while surface chemistry plays an important role as a destruction mechanism.Comment: 31 pages, 26 figure

Parameterizing the interstellar dust temperature

The temperature of interstellar dust particles is of great importance to astronomers. It plays a crucial role in the thermodynamics of interstellar clouds, because of the gas-dust collisional coupling. It is also a key parameter in astrochemical studies that governs the rate at which molecules form on dust. In 3D (magneto)hydrodynamic simulations often a simple expression for the dust temperature is adopted, because of computational constraints, while astrochemical modelers tend to keep the dust temperature constant over a large range of parameter space. Our aim is to provide an easy-to-use parametric expression for the dust temperature as a function of visual extinction ($A_{\rm V}$) and to shed light on the critical dependencies of the dust temperature on the grain composition. We obtain an expression for the dust temperature by semi-analytically solving the dust thermal balance for different types of grains and compare to a collection of recent observational measurements. We also explore the effect of ices on the dust temperature. Our results show that a mixed carbonaceous-silicate type dust with a high carbon volume fraction matches the observations best. We find that ice formation allows the dust to be warmer by up to 15% at high optical depths ($A_{\rm V}> 20$ mag) in the interstellar medium. Our parametric expression for the dust temperature is presented as $T_{\rm d} = \left[ 11 + 5.7\times \tanh\bigl( 0.61 - \log_{10}(A_{\rm V})\bigr) \right] \, \chi_{\rm uv}^{1/5.9}$, where $\chi_{\rm uv}$ is in units of the Draine (1978) UV fieldComment: 16 pages, 17 figures, 4 tables. Accepted for publication in A&A. Version 2: the omission of factor 0.921 in equation 4 is correcte

Bench-to-bedside review : targeting antioxidants to mitochondria in sepsis

Peer reviewedPublisher PD

Gas phase Elemental abundances in Molecular cloudS (GEMS) VII. Sulfur elemental abundance

Gas phase Elemental abundances in molecular CloudS (GEMS) is an IRAM 30m large program aimed at determining the elemental abundances of carbon (C), oxygen (O), nitrogen (N), and sulfur (S) in a selected set of prototypical star-forming filaments. In particular, the elemental abundance of S remains uncertain by several orders of magnitude and its determination is one of the most challenging goals of this program. We have carried out an extensive chemical modeling of the fractional abundances of CO, HCO$^+$, HCN, HNC, CS, SO, H$_2$S, OCS, and HCS$^+$ to determine the sulfur depletion toward the 244 positions in the GEMS database. These positions sample visual extinctions from A$_V$ $\sim$ 3 mag to $>$50 mag, molecular hydrogen densities ranging from a few 10$^3$~cm$^{-3}$ to 3$\times$10$^6$~cm$^{-3}$, and T$_k$ $\sim$ 10$-$35 K. Most of the positions in Taurus and Perseus are best fitted assuming early-time chemistry, t=0.1 Myr, $\zeta_{H_2}$$\sim$ (0.5$-$1)$\times$10$^{-16}$ s$^{-1}$, and [S/H]$\sim$1.5$\times$10$^{-6}$. On the contrary, most of the positions in Orion are fitted with t=1~Myr and $\zeta_{H_2}$$\sim$ 10$^{-17}$ s$^{-1}$. Moreover, $\sim$40% of the positions in Orion are best fitted assuming the undepleted sulfur abundance, [S/H]$\sim$1.5$\times$10$^{-5}$. Our results suggest that sulfur depletion depends on the environment. While the abundances of sulfur-bearing species are consistent with undepleted sulfur in Orion, a depletion factor of $\sim$20 is required to explain those observed in Taurus and Perseus. We propose that differences in the grain charge distribution in the envelopes of the studied clouds might explain these variations. The shocks associated with past and ongoing star formation could also contribute to enhance [S/H] in Orion.Comment: 22 pages, 15 figures, Astronomy and Astrophysics, in pres