A primordial origin for molecular oxygen in comets: a chemical kinetics study of the formation and survival of O₂ ice from clouds to discs

Molecular oxygen has been confirmed as the fourth most abundant molecule in cometary material (O2/H2O ∼ 4 per cent) and is thought to have a primordial nature, i.e. coming from the interstellar cloud from which our Solar system was formed. However, interstellar O2 gas is notoriously difficult to detect and has only been observed in one potential precursor of a solar-like system. Here, the chemical and physical origin of O2 in comets is investigated using sophisticated astrochemical models. Three origins are considered: (i) in dark clouds; (ii) during forming protostellar discs; and (iii) during luminosity outbursts in discs. The dark cloud models show that reproduction of the observed abundance of O2 and related species in comet 67P/C-G requires a low H/O ratio facilitated by a high total density (≥105 cm−3), and a moderate cosmic ray ionization rate (≤10−16 s−1) while a temperature of 20 K, slightly higher than the typical temperatures found in dark clouds, also enhances the production of O2. Disc models show that O2 can only be formed in the gas phase in intermediate disc layers, and cannot explain the strong correlation between O2 and H2O in comet 67P/C-G together with the weak correlation between other volatiles and H2O. However, primordial O2 ice can survive transport into the comet-forming regions of discs. Taken together, these models favour a dark cloud (or ‘primordial’) origin for O2 in comets, albeit for dark clouds which are warmer and denser than those usually considered as Solar system progenitors

Gas-phase SO2 in absorption towards massive protostars

We present the first detection of the v(3) ro-vibrational band of gas-phase SO2 in absorption in the mid-infrared spectral region around 7.3 mum of a sample of deeply embedded massive protostars. Comparison with model spectra shows that the derived excitation temperatures correlate with previous C2H2 and HCN studies, indicating that the same warm gas component is probed. The SO2 column densities are similar along all lines of sight suggesting that the SO2 formation has saturated, but not destroyed, and the absolute abundances of SO2 are high (similar to 10(7)). Both the high temperature and the high abundance of the detected SO2 are not easily explained by standard hot core chemistry models. Likewise, indicators of shock induced chemistry are lacking

CO destruction in protoplanetary disk midplanes: Inside versus outside the CO snow surface

Context: The total gas mass is one of the most fundamental properties of disks around young stars, because it controls their evolution and their potential to form planets. To measure disk gas masses, CO has long been thought to be the best tracer as it is readily detected at (sub)mm wavelengths in many disks. However, inferred gas masses from CO in recent ALMA observations of large samples of disks in the 1–5 Myr age range seem inconsistent with their inferred dust masses. The derived gas-to-dust mass ratios from CO are between one and two orders of magnitude lower than the ISM value of ~100 even if photodissociation and freeze-out are included. In contrast, Herschel measurements of hydrogen deuteride line emission of a few disks imply gas masses in line with gas-to-dust mass ratios of 100. This suggests that at least one additional mechanism is removing CO from the gas phase. Aims: Here we test the suggestion that the bulk of the CO is chemically processed and that the carbon is sequestered into less volatile species such as CO2, CH3OH, and CH4 in the dense, shielded midplane regions of the disk. This study therefore also addresses the carbon reservoir of the material which ultimately becomes incorporated into planetesimals. Methods: Using our gas-grain chemical code, we performed a parameter exploration and follow the CO abundance evolution over a range of conditions representative of shielded disk midplanes. Results: Consistent with previous studies, we find that no chemical processing of CO takes place on 1–3 Myr timescales for low cosmic-ray ionisation rates, <5 × 10−18 s−1. Assuming an ionisation rate of 10−17 s−1, more than 90% of the CO is converted into other species, but only in the cold parts of the disk below 30 K. This order of magnitude destruction of CO is robust against the choice of grain-surface reaction rate parameters, such as the tunnelling efficiency and diffusion barrier height, for temperatures between 20 and 30 K. Below 20 K there is a strong dependence on the assumed efficiency of H tunnelling. Conclusions: The low temperatures needed for CO chemical processing indicate that the exact disk temperature structure is important, with warm disks around luminous Herbig stars expected to have little to no CO conversion. In contrast, for cold disks around sun-like T Tauri stars, a large fraction of the emitting CO layer is affected unless the disks are young (<1 Myr). This can lead to inferred gas masses that are up to two orders of magnitude lower. Moreover, unless CO is locked up early in large grains, the volatile carbon composition of the icy pebbles and planetesimals forming in the midplane and drifting to the inner disk will be dominated by CH3OH, CO2 and/or hydrocarbons

Cometary compositions compared with protoplanetary disk midplane chemical evolution: An emerging chemical evolution taxonomy for come

Context. Comets are planetesimals left over from the formation of planets in the solar system. With a growing number of observed molecular abundances in many comets, and an improved understanding of chemical evolution in protoplanetary disk midplanes, comparisons can be made between models and observations that could potentially constrain the formation histories of comets. Aims. Our aim is to carry out the first statistical comparison between cometary volatile ice abundances and modelled evolving abundances in a protoplanetary disk midplane. Methods. A χ2 method was used to determine maximum likelihood surfaces for 14 different comets that formed at a given time (up to 8 Myr) and place (out to beyond the CO iceline) in the pre-solar nebula midplane. This was done using observed volatile abundances for the 14 comets and the evolution of volatile abundances from chemical modelling of disk midplanes. Two assumptions for the chemical modelling starting conditions (cloud inheritance or chemical reset), as well as two different sets of cometary molecules (parent species, with or without sulphur species) were investigated. Results. Considering all parent species (ten molecules) in the reset scenario, χ2 likelihood surfaces show a characteristic trail in the parameter space with high likelihood of formation around 30 AU at early times and 12 AU at later times for ten comets. This trail roughly traces the vicinity of the CO iceline in time. Conclusions. A statistical comparison between observed and modelled chemical abundances in comets and comet-forming regions could be a powerful tool for constraining cometary formation histories. The formation histories for all comets were constrained to the vicinity of the CO iceline, assuming that the chemistry was partially reset early in the pre-solar nebula. This is found, both when considering carbon-, oxygen-, and sulphur-bearing molecules (ten in total), and when only considering carbon- and oxygen-bearing molecules (seven in total). Since these 14 comets did not previously fall into the same taxonomical categories together, this chemical constraint may be proposed as an alternative taxonomy for comets. Based on the most likely time for each of these comets to have formed during the disk chemical evolution, a formation time classification for the 14 comets is suggested

Cometary ices in forming protoplanetary disc midplanes

Low-mass protostars are the extrasolar analogues of the natal Solar system. Sophisticated physicochemical models are used to simulate the formation of two protoplanetary discs from the initial prestellar phase, one dominated by viscous spreading and the other by pure infall. The results show that the volatile prestellar fingerprint is modified by the chemistry en route into the disc. This holds relatively independent of initial abundances and chemical parameters: physical conditions are more important. The amount of CO2 increases via the grain-surface reaction of OH with CO, which is enhanced by photodissociation of H2O ice. Complex organic molecules are produced during transport through the envelope at the expense of CH3OH ice. Their abundances can be comparable to that of methanol ice (few per cent of water ice) at large disc radii (R > 30 au). Current Class II disc models may be underestimating the complex organic content. Planet population synthesis models may underestimate the amount of CO2 and overestimate CH3OH ices in planetesimals by disregarding chemical processing between the cloud and disc phases. The overall C/O and C/N ratios differ between the gas and solid phases. The two ice ratios show little variation beyond the inner 10 au and both are nearly solar in the case of pure infall, but both are subsolar when viscous spreading dominates. Chemistry in the protostellar envelope en route to the protoplanetary disc sets the initial volatile and prebiotically significant content of icy planetesimals and cometary bodies. Comets are thus potentially reflecting the provenances of the midplane ices in the solar nebula

An inherited complex organic molecule reservoir in a warm planet-hosting disk

Quantifying the composition of the material in protoplanetary disks is essential to determining the potential for exoplanetary systems to produce and support habitable environments. When considering potential habitability, complex organic molecules are relevant, key among which is methanol (CH3OH). Methanol primarily forms at low temperatures via the hydrogenation of CO ice on the surface of icy dust grains and is a necessary basis for the formation of more complex species such as amino acids and proteins. We report the detection of CH3OH in a disk around a young, luminous A-type star, HD 100546. This disk is warm and therefore does not host an abundant reservoir of CO ice. We argue that the CH3OH cannot form in situ, and hence that this disk has probably inherited complex-organic-molecule-rich ice from an earlier cold dark cloud phase. This is strong evidence that at least some interstellar organic material survives the disk-formation process and can then be incorporated into forming planets, moons and comets. Therefore, crucial pre-biotic chemical evolution already takes place in dark star-forming clouds

Evidence for a massive dust-trapping vortex connected to spirals: Multi-wavelength analysis of the HD 135344B protoplanetary disk

Spiral arms, rings and large scale asymmetries are structures observed in high resolution observations of protoplanetary disks, and it appears that some of the disks showing spiral arms in scattered light also show asymmetries in millimeter-sized dust. HD~135344B is one of these disks. Planets are invoked as the origin of these structures, but no planet has been observed so far. We investigate the nature of the asymmetric structure in the HD~135344B disk in order to understand the origin of the spirals and of the asymmetry seen in this disk. Ultimately, we aim at understanding whether or not one or more planets are needed to explain such structures. We present new ALMA sub-0.1" resolution observations in Band 3 and 4. The high spatial resolution allows us to characterize the mm-dust morphology of the disk. The low optical depth of continuum emission probes the bulk of the dust in vortex. Moreover, we combine the new observations with archival data to perform a multi-wavelength analysis and to obtain information about the dust distribution and properties inside the asymmetry. We resolve the asymmetric disk into a symmetric ring + asymmetric crescent, and observe that: (1) the spectral index strongly decreases at the center of the vortex, consistent with the presence of large grains; (2) for the first time, an azimuthal shift of the peak of the vortex with wavelength is observed; (3) the azimuthal width of the vortex decreases at longer wavelengths, as expected for dust traps. These features allow to confirm the nature of the asymmetry as a vortex. Finally a lower limit to the total mass of the vortex is $0.3 M_{\rm Jupiter}$. Considering the uncertainties involved in this estimate, it is possible that the actual mass of the vortex is higher and possibly within the required values ($\sim 4\,\rm M_{\rm Jupiter}$) to launch spiral arms similar to those observed in scattered light.P.P. acknowledges support by NASA through Hubble Fellowship grant HST-HF2-51380.001-A awarded by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., for NASA, under contract NAS 5-26555. M.B. acknowledges funding from ANR of France under contract number ANR-16-CE31-0013 (Planet Forming disks). M.T. has been supported by the DISCSIM project, grant agreement 341137 funded by the European Research Council under ERC-2013-ADG. Astrochemistry in Leiden is supported by the European Union A-ERC grant 291141 CHEMPLAN, by the Netherlands Research School for Astronomy (NOVA), and by a Royal Netherlands Academy of Arts and Sciences (KNAW) professor prize

ALMA unveils rings and gaps in the protoplanetary system HD 169142: signatures of two giant protoplanets

The protoplanetary system HD 169142 is one of the few cases where a potential candidate protoplanet has recently been detected by direct imaging in the near-infrared. To study the interaction between the protoplanet and the disk itself, observations of the gas and dust surface density structure are needed. This paper reports new ALMA observations of the dust continuum at 1.3 mm, 12CO, 13CO, and C18O J = 2−1 emission from the system HD 169142 (which is observed almost face-on) at an angular resolution of ∼0.3"×0.2′′ (∼35 × 20 au). The dust continuum emission reveals a double-ring structure with an inner ring between 0.17"−0.28" (∼20−35 au) and an outer ring between 0.48−0.64 (∼56−83 au). The size and position of the inner ring is in good agreement with previous polarimetric observations in the near-infrared and is consistent with dust trapping by a massive planet. No dust emission is detected inside the inner dust cavity (R μm size). Using the thermo-chemical disk code dali, we modeled the continuum and the CO isotopolog emission to quantitatively measure the gas and dust surface densities. The resulting gas surface density is reduced by a factor of ∼30−40 inward of the dust gap. The gas and dust distribution indicate that two giant planets shape the disk structure through dynamical clearing (dust cavity and gap) and dust trapping (double-ring dust distribution)

Resolving structure of the disc around HD100546 at 7 mm with ATCA

There is much evidence that planet formation is occurring in the disc around the Herbig Be star HD100546. To learn more about the processes occurring in this disc, we conducted high-resolution imaging at 43/45 GHz with the Australia Telescope Compact Array. Multiple array configurations were used, providing a best spatial resolution of ∼0.15 arcsec, or 15 au at HD100546's distance of ∼100 pc. Significant structure is revealed, but its precise form is dependent on the u − v plane sampling used for the image reconstruction. At a resolution of ≤30 au, we detected an inner gap in the disc with a radius of ∼25 au and a position angle approximately along the known disc major axis. With different weighting, and an achieved resolution of ∼15 au, emission appears at the centre and the disc takes on the shape of an incomplete ring, much like a horseshoe, again with a gap radius of ∼25 au. The position angle of the disc major axis and its inclination from face-on are determined to be 140° ± 5° and 40° ± 5°, respectively. The ∼25 au gap radius is confirmed by a null in the real part of the binned visibilities at 320 ± 10 kλ, whilst the non-axisymmetric nature is also confirmed through significant structure in the imaginary component. The emission mechanism at the central peak is most likely to be free–free emission from a stellar or disc wind. Overall our data support the picture of at least one, but probably several, giant planets orbiting HD100546 within 25 au

Probing midplane CO abundance and gas temperature with DCO+ in the protoplanetary disk around HD 169142

Context. Physical and chemical processes in protoplanetary disks affect the disk structure and the midplane environment within which planets form. The simple deuterated molecular cation DCO+ has been proposed to act as a tracer of the disk midplane conditions. Aims. This work aims to understand which midplane conditions are probed by the DCO+ emission in the disk around the Herbig Ae star HD 169142. We explore the sensitivity of the DCO+ formation pathways to gas temperature and CO abundance. Methods. The DCO+ J = 3−2 transition was observed with Atacama Large Millimeter/submillimeter Array at a spatial resolution of ~0.3′′ (35 AU at 117 pc). We modeled the DCO+ emission in HD 169142 with a physical disk structure adapted from the literature, and employed a simple deuterium chemical network to investigate the formation of DCO+ through the cold deuterium fractionation pathway via H2D+. Parameterized models are used to modify the gas temperature and CO abundance structure of the disk midplane to test their effect on DCO+ production. Contributions from the warm deuterium fractionation pathway via CH2D+ are approximated using a constant abundance in the intermediate disk layers. Results. The DCO+ line is detected in the HD 169142 disk with a total integrated line flux of 730 ± 73 mJy km s−1. The radial intensity profile reveals a warm, inner component of the DCO+ emission at radii ≲30 AU and a broad, ring-like structure from ~50–230 AU with a peak at 100 AU just beyond the edge of the millimeter grain distribution. Parameterized models show that alterations to the midplane gas temperature and CO abundance are both needed to recover the observed DCO+ radial intensity profile. The alterations are relative to the fiducial physical structure of the literature model constrained by dust and CO observations. The best-fit model contains a shadowed, cold midplane in the region z∕r 120 AU. The warm deuterium fractionation pathway is implemented as a constant DCO+ abundance of 2.0 × 10−12 between 30–70 K and contributes >85% to the DCO+ emission at r < 83 AU in the best-fit model. Conclusions. The DCO+ emission probes a reservoir of cold material in the HD 169142 outer disk that is not probed by the millimeter continuum, the spectral energy distribution, nor the emission from the 12 CO, 13 CO, or C18O J = 2−1 lines. The DCO+ emission is a sensitive probe of gas temperature and CO abundance near the disk midplane and provides information about the outer disk beyond the millimeter continuum distribution that is largely absent in abundant gaseous tracers such as CO isotopologues