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Context. Observations of edge-on disks are an important tool for constraining general protoplanetary disk properties that cannot be determined in any other way. However, most radiative transfer models cannot simultaneously reproduce the spectral energy distributions (SEDs) and resolved scattered light and submillimeter observations of these systems because the geometry and dust properties are different at different wavelengths. Aims. We simultaneously constrain the geometry of the edge-on protoplanetary disk HH 48 NE and the characteristics of the host star. HH 48 NE is part of the JWST early-release science program Ice Age. This work serves as a stepping stone toward a better understanding of the physical structure of the disk and of the icy chemistry in this particular source. This type of modeling lays the groundwork for studying other edge-on sources that are to be observed with the JWST. Methods. We fit a parameterized dust model to HH 48 NE by coupling the radiative transfer code RADMC-3D and a Markov chain Monte Carlo framework. The dust structure was fit independently to a compiled SED, a scattered light image at 0.8 µm, and an ALMA dust continuum observation at 890 µm. Results. We find that 90% of the dust mass in HH 48 NE is settled to the disk midplane. This is less than in average disks. The atmospheric layers of the disk also exclusively contain large grains (0.3–10 µm). The exclusion of small grains in the upper atmosphere likely has important consequences for the chemistry because high-energy photons can penetrate very deeply. The addition of a relatively large cavity (~50 au in radius) is necessary to explain the strong mid-infrared emission and to fit the scattered light and continuum observations simultaneously. [ABSTRACT FROM AUTHOR]

Context. The abundance and distribution of ice in protoplanetary disks is critical for an understanding of the link between the composition of circumstellar matter and the composition of exoplanets. Edge-on protoplanetary disks are a useful tool for constraining this ice composition and its location in the disk because the spectral signatures of the ice can be observed in absorption against the continuum emission that arises from the warmer regions in the central disk. Aims. The aim of this work is to model ice absorption features in protoplanetary disks and to determine how well the abundance of the main ice species throughout the disk can be determined within the uncertainty of the physical parameter space. The edge-on proto-planetary disk around HH 48 NE, a target of the James Webb Space Telescope Early Release program Ice Age, is used as a reference system. Methods. We used the full anisotropic scattering capabilities of the radiative transfer code RADMC-3D to ray-trace the mid-infrared continuum. Using a constant parameterized ice abundance, we added ice opacities to the dust opacity in regions in which the disk was cold enough for the main carbon, oxygen, and nitrogen carriers to freeze out. Results. The global abundance relative to the dust content of the main ice carriers in HH 48 NE can be determined within a factor of 3 when the uncertainty of the physical parameters is taken into account. Ice features in protoplanetary disks can be saturated at an optical depth of ≲1 due to local saturation. Ices are observed at various heights in the disk model, but in this model, spatial information is lost for features at wavelengths >7 µm when observing with James Webb Space Telescope because the angular resolution decreases towards longer wavelengths. Spatially observed ice optical depths cannot be directly related to column densities, as would be the case for direct absorption against a bright continuum source, because of radiative transfer effects. Vertical snowlines will not be a clear transition because the height of the snow surface increases radially, but their location may be constrained from observations using radiative transfer modeling. Radial snowlines are not really accessible. Not only the ice abundance, but also the inclination, the settling, the grain size distribution, and the disk mass have a strong impact on the observed ice absorption features in disks. Relative changes in the ice abundance can only be inferred from observations if the source structure is well constrained. [ABSTRACT FROM AUTHOR]

Context. Methanol (CH3OH) is at the root of organic ice chemistry in protoplanetary disks. Its connection to prebiotic chemistry and its role in the chemical environment of the disk midplane make it an important target for disk chemistry studies. However, its weak emission has made detections difficult. To date, gas-phase CH3OH is detected in only one Class II disk, TW Hya. Aims. We aim to constrain the methanol content of the HD 163296 protoplanetary disk. Methods. We used the Atacama Large Millimeter/submillimeter Array (ALMA) to search for a total of four CH3OH emission lines in bands six and seven toward the disk around the young Herbig Ae star HD 163296. The disk-averaged column density of methanol and its related species formaldehyde (H2CO) were estimated assuming optically thin emission in local thermodynamic equilibrium. We compared these results to the gas-phase column densities of the TW Hya disk. Results. No targeted methanol lines were detected with Keplerian masking in the image plane nor with matched filter analysis in the uv plane individually nor after line stacking. The 3σ disk-integrated intensity upper limits are <51 mJy km s−1 for the band six lines and <26 mJy km s−1 for the band seven lines. The band seven lines provide the strictest 3σ upper limit on disk-averaged column density with Navg < 5.0 × 1011 cm−2. The methanol-to-formaldehyde ratio is CH3OH∕H2CO<0.24 in the HD 163296 disk compared to a ratio of 1.27 in the TW Hya disk. Conclusions. The HD 163296 protoplanetary disk is less abundant in methanol with respect to formaldehyde compared to the disk around TW Hya. Differences in the stellar irradiation in this Herbig Ae disk as compared to that of a disk around a T Tauri star likely influence the gaseous methanol and formaldehyde content. Possible reasons for the lower HD 163296 methanol-to-formaldehyde ratio include: a higher than expected gas-phase formation of H2CO in the HD 163296 disk, uncertainties in the grain surface formation efficiency of CH3OH and H2CO, and differences in the disk structure and/or CH3OH and H2CO desorption processes that drive the release of the molecules from ice mantles back into the gas phase. These results provide observational evidence that the gas-phase chemical complexity found in disks may be strongly influenced by the spectral type of the host star. [ABSTRACT FROM AUTHOR]

Context. One of the important questions of astrochemistry is how complex organic molecules, including potential prebiotic species, are formed in the envelopes around embedded protostars. The abundances of minor isotopologues of a molecule, in particular the D- and 13C-bearing variants, are sensitive to the densities, temperatures and timescales characteristic of the environment in which they form, and can therefore provide important constraints on the formation routes and conditions of individual species. Aims. The aim of this paper is to systematically survey the deuteration and the 13C content of a variety of oxygen-bearing complex organic molecules on solar system scales toward the "B component" of the protostellar binary IRAS16293–2422. Methods. We have used the data from an unbiased molecular line survey of the protostellar binary IRAS16293−2422 between 329 and 363 GHz from the Atacama Large Millimeter/submillimeter Array (ALMA). The data probe scales of 60 AU (diameter) where most of the organic molecules are expected to have sublimated off dust grains and be present in the gas phase. The deuterated and 13C isotopic species of ketene, acetaldehyde and formic acid, as well as deuterated ethanol, are detected unambiguously for the first time in the interstellar medium. These species are analysed together with the 13C isotopic species of ethanol, dimethyl ether and methyl formate along with mono-deuterated methanol, dimethyl ether and methyl formate. Results. The complex organic molecules can be divided into two groups with one group, the simpler species, showing a D/H ratio of ≈2% and the other, the more complex species, D/H ratios of 4–8%. This division may reflect the formation time of each species in the ices before or during warm-up/infall of material through the protostellar envelope. No significant differences are seen in the deuteration of different functional groups for individual species, possibly a result of the short timescale for infall through the innermost warm regions where exchange reactions between different species may be taking place. The species show differences in excitation temperatures between 125 and 300 K. This likely reflects the binding energies of the individual species, in good agreement with what has previously been found for high-mass sources. For dimethyl ether, the 12C/13C ratio is found to be lower by up to a factor of 2 compared to typical ISM values similar to what has previously been inferred for glycolaldehyde. Tentative identifications suggest that the same may apply for 13C isotopologues of methyl formate and ethanol. If confirmed, this may be a clue to their formation at the late prestellar or early protostellar phases with an enhancement of the available 13C relative to 12C related to small differences in binding energies for CO isotopologues or the impact of FUV irradiation by the central protostar. Conclusions. The results point to the importance of ice surface chemistry for the formation of these complex organic molecules at different stages in the evolution of embedded protostars and demonstrate the use of accurate isotope measurements for understanding the history of individual species. [ABSTRACT FROM AUTHOR]

Context. Deuterium fractionation has been used to study the thermal history of prestellar environments. Their formation pathways trace different regions of the disk and may shed light into the physical structure of the disk, including locations of important features for planetary formation. Aims. We aim to constrain the radial extent of the main deuterated species; we are particularly interested in spatially characterizing the high and low temperature pathways for enhancing deuteration of these species. Methods. We observed the disk surrounding the Herbig Ae star HD 163296 using ALMA in Band 6 and obtained resolved spectral imaging data of DCO+ (J = 3−2), DCN (J = 3−2) and N2D+ (J = 3−2) with synthesized beam sizes of 0.̋53 × 0.̋42, 0.̋53 × 0.̋42, and 0.̋50 × 0.̋39, respectively. We adopted a physical model of the disk from the literature and use the 3D radiative transfer code LIME to estimate an excitation temperature profile for our detected lines. We modeled the radial emission profiles of DCO+, DCN, and N2D+, assuming their emission is optically thin, using a parametric model of their abundances and our excitation temperature estimates. Results. DCO+ can be described by a three-region model with constant-abundance rings centered at 70 AU, 150 AU, and 260 AU. The DCN radial profile peaks at about 60 AU and N2D+ is seen in a ring at 160 AU. Simple models of both molecules using constant abundances reproduce the data. Assuming reasonable average excitation temperatures for the whole disk, their disk-averaged column densities (and deuterium fractionation ratios) are 1.6–2.6×1012 cm-2 (0.04–0.07), 2.9–5.2×1012 cm-2 (~0.02), and 1.6–2.5×1011 cm-2 (0.34–0.45) for DCO+, DCN, and N2D+, respectively. Conclusions. Our simple best-fit models show a correlation between the radial location of the first two rings in DCO+ and the DCN and N2D+ abundance distributions that can be interpreted as the high and low temperature deuteration pathways regimes. The origin of the third DCO+ ring at 260 AU is unknown but may be due to a local decrease of ultraviolet opacity allowing the photodesorption of CO or due to thermal desorption of CO as a consequence of radial drift and settlement of dust grains. The derived Df values agree with previous estimates of 0.05 for DCO+/HCO+ and 0.02 for DCN/HCN in HD 163296, and 0.3−0.5 for N2D+/N2H+ in AS 209, a T Tauri disk. The high N2D+/N2H+ confirms N2D+ as a good candidate for tracing ionization in the cold outer disk. [ABSTRACT FROM AUTHOR]

Context. The gas and dust in circumstellar disks provide the raw materials to form planets. The study of organic molecules and their building blocks in such disks offers insight into the origin of the prebiotic environment of terrestrial planets. Aims: We aim to determine the distribution of formaldehyde, H2CO, in the disk around HD 163296 to assess the contribution of gas- and solid-phase formation routes of this simple organic. Methods: Three formaldehyde lines were observed (H2CO 303-202, H2CO 322-221, and H2CO 321-220) in the protoplanetary disk around the Herbig Ae star HD 163296 with ALMA at 0.5" (60 AU) spatial resolution. Different parameterizations of the H2CO abundance were compared to the observed visibilities, using either a characteristic temperature, a characteristic radius or a radial power law index to describe the H2CO chemistry. Similar models were applied to ALMA Science Verification data of C18O. In each scenario, χ2 minimization on the visibilities was used to determine the best-fit model in each scenario. Results: H2CO 303-202 was readily detected via imaging, while the weaker H2CO 322-221 and H2CO 321-220 lines required matched filter analysis to detect. H2CO is present throughout most of the gaseous disk, extending out to 550 AU. An apparent 50 AU inner radius of the H2CO emission is likely caused by an optically thick dust continuum. The H2CO radial intensity profile shows a peak at 100 AU and a secondary bump at 300 AU, suggesting increased production in the outer disk. In all modeling scenarios, fits to the H2CO data show an increased abundance in the outer disk. The overall best-fit H2CO model shows a factor of two enhancement beyond a radius of 270 ± 20 AU, with an inner abundance (relative to H2) of 2 - 5 × 10-12. The H2CO emitting region has a lower limit on the kinetic temperature of T> 20 K. The C18O modeling suggests an order of magnitude depletion of C18O in the outer disk and an abundance of 4 - 12 × 10-8 in the inner disk. Conclusions: There is a desorption front seen in the H2CO emission that roughly coincides with the outer edge of the 1.3 millimeter continuum. The increase in H2CO outer disk emission could be a result of hydrogenation of CO ices on dust grains that are then sublimated via thermal desorption or UV photodesorption. Alternatively, there could be more efficient gas-phase production of H2CO beyond 300 AU if CO is photodisocciated in this region. [ABSTRACT FROM AUTHOR]

Over the last four years we have illustrated the potential of a novel wavelength-dependent approach in determining molecular processes at work in the photodesorption of interstellar ice analogs. This method, utilizing the unique beam characteristics of the vacuum UV beamline DESIRS at the French synchrotron facility SOLEIL, has revealed an efficient indirect desorption mechanism that scales with the electronic excitations in molecular solids. This process, known as DIET – desorption induced by electronic transition – occurs efficiently in ices composed of very volatile species (CO, N2), for which photochemical processes can be neglected. In the present study, we investigate the photodesorption energy dependence of pure and pre-irradiated CO2 ices at 10–40 K and between 7 and 14 eV. The photodesorption from pure CO2 is limited to photon energies above 10.5 eV and is clearly initiated by CO2 excitation and by the contribution of dissociative and recombination channels. The photodesorption from “pre-irradiated” ices is shown to present an efficient additional desorption pathway below 10 eV, dominating the desorption depending on the UV-processing history of the ice film. This effect is identified as an indirect DIET process mediated by photoproduced CO, observed for the first time in the case of less volatile species. The results presented here pinpoint the importance of the interconnection between photodesorption and photochemical processes in interstellar ices driven by UV photons having different energies. [ABSTRACT FROM AUTHOR]

Context. Ultraviolet photodesorption of molecules from icy interstellar grains can explain observations of cold gas in regions where thermal desorption is negligible. This non-thermal desorption mechanism should be especially important where UV fluxes are high. Aims. N2 and O2 are expected to play key roles in astrochemical reaction networks, both in the solid state and in the gas phase. Measurements of the wavelength-dependent photodesorption rates of these two infrared-inactive molecules provide astronomical and physical-chemical insights into the conditions required for their photodesorption. Methods. Tunable radiation from the DESIRS beamline at the SOLEIL synchrotron in the astrophysically relevant 7 to 13.6 eV range is used to irradiate pure N2 and O2 thin ice films. Photodesorption of molecules is monitored through quadrupole mass spectrometry. Absolute rates are calculated by using the well-calibrated CO photodesorption rates. Strategic N2 and O2 isotopolog mixtures are used to investigate the importance of dissociation upon irradiation. Results. N2 photodesorption mainly occurs through excitation of the b1Πu state and subsequent desorption of surface molecules. The observed vibronic structure in the N2 photodesorption spectrum, together with the absence of N3 formation, supports that the photodesorption mechanism of N2 is similar to CO, i.e., an indirect DIET (Desorption Induced by Electronic Transition) process without dissociation of the desorbing molecule. In contrast, O2 photodesorption in the 7-13.6 eV range occurs through dissociation and presents no vibrational structure. Conclusions. Photodesorption rates of N2 and O2 integrated over the far-UV field from various star-forming environments are lower than for CO. Rates vary between 10-3 and 10-2 photodesorbed molecules per incoming photon. [ABSTRACT FROM AUTHOR]

Ice desorption affects the evolution of the gas-phase chemistry during the protostellar stage, and also determines the ice composition of comets forming in circumstellar disks. Prom observations, most volatile species, including CO2, are found in H2O-dominated ices. In this study, the desorption of CO2 mixed in H2O ice and the impact of ice thickness, mixture ratio and heating rate are experimentally determined. The results are used to parametrize an extended three-phase model (gas, ice surface and ice mantle) which describes ice mixture desorption using rate equations and a minimum number of free parameters. The model can be used to predict the evolution in thickness and concentration of volatile-rich H2O ice during infall of icy grains around protostars. [ABSTRACT FROM AUTHOR]

As the number of detections of complex molecules keeps increasing, answering the question about their formation becomes more pressing. Many of the saturated organic molecules are found to have a very low gas phase formation rate and are therefore thought to be formed on the icy surfaces of dust grains. In the Sackler Laboratory for Astrophysics we started a systematic study of the surface reaction routes that have been suggested over the years. Here we present the experimental results on the formation of methanol and ethanol by hydrogenation reactions of carbon monoxide and acetaldehyde ice. Computer simulations of the surface processes under similar conditions using the continuous-time random-walk Monte Carlo technique reveal some of the underlying physical processes. A better understanding of the physical conditions in which these molecules are formed can help in the interpretation of the observational results. The CO hydrogenation results will appear in detail in Fuchs et al. (2008). For more details on ethanol formation we refer to Bisschop et al. (2007). [ABSTRACT FROM PUBLISHER]