Search

The detection of Keplerian rotation is rare among Class 0 protostellar systems. We have investigated the high-density tracer HCN as a probe of the inner disc in a Class 0 proto-brown dwarf candidate. Our ALMA high angular resolution observations show the peak in the HCN (3–2) line emission arises from a compact component near the proto-brown dwarf with a small bar-like structure and a deconvolved size of ∼50 au. Radiative transfer modelling indicates that this HCN feature is tracing the innermost, dense regions in the proto-brown dwarf where a small Keplerian disc is expected to be present. The limited velocity resolution of the observations, however, makes it difficult to confirm the rotational kinematics of this feature. A brightening in the HCN emission towards the core centre suggests that HCN can survive in the gas phase in the inner, dense regions of the proto-brown dwarf. In contrast, modelling of the HCO+ (3–2) line emission indicates that it originates from the outer pseudo-disc/envelope region and is centrally depleted. HCN line emission can reveal the small-scale structures and can be an efficient observational tool to study the inner disc properties in such faint compact objects where spatially resolving the disc is nearly impossible. [ABSTRACT FROM AUTHOR]

We present results from the first molecular line survey to search for the fundamental complex organic molecule, methanol (CH3OH), in 14 Class 0/I proto-brown dwarfs (proto-BDs). IRAM 30-m observations over the frequency range of 92–116 and 213–280 GHz have revealed emission in 14 CH3OH transition lines, at upper state energy level, E upper ∼7–49 K, and critical densities, n crit of 105–109 cm−3. The most commonly detected lines are at E upper < 20 K, while 11 proto-BDs also show emission in the higher excitation lines at E upper ∼21–49 K and n crit ∼ 105 to 108 cm−3. In comparison with the brown dwarf formation models, the high excitation lines likely probe the warm (∼25–50 K) corino region at ∼10–50 au in the proto-BDs, while the low-excitation lines trace the cold (<20 K) gas at ∼50–150 au. The column density for the cold component is an order of magnitude higher than the warm component. The CH3OH ortho-to-para ratios range between ∼0.3 and 2.3. The volume-averaged CH3OH column densities show a rise with decreasing bolometric luminosity among the proto-BDs, with the median column density higher by a factor of ∼3 compared to low-mass protostars. Emission in high-excitation (E upper > 25 K) CH3OH lines together with the model predictions suggest that a warm corino is present in ∼78 per cent of the proto-BDs in our sample. The remaining shows evidence of only the cold component, possibly due to the absence of a strong, high-velocity jet that can stir up the warm gas around it. [ABSTRACT FROM AUTHOR]

Deuterium fractionation can constrain the physical and chemical conditions at the early stage of brown dwarf formation. We present IRAM 30-m observations over a wide frequency range of 213–279 GHz of singly and doubly deuterated species of formaldehyde (HDCO and D2CO) towards Class 0/I proto-brown dwarfs (proto-BDs). Multiple low-excitation HDCO and D2CO transition lines with upper energy level ≤40 K are detected. The D2CO/HDCO, HDCO/H2CO, and D2CO/H2CO abundance ratios range between 0.01 and 2.5 for the proto-BDs, similar to the range seen in low-mass protostars. The highest ratios of D2CO/HDCO ∼1.3–2.5 are measured for two Stage 0 proto-BDs. These objects could possess a warm corino, similar to the few hot corino cases reported among Class 0 protostars. The mean D2CO/HDCO, D2CO/H2CO, and HDCO/H2CO ratios for the proto-BDs are comparatively higher than the range predicted by the current gas-grain chemical models, indicating that HDCO and D2CO are formed via grain surface reactions in the dense and cold interiors of the proto-BDs at an early formation stage. [ABSTRACT FROM AUTHOR]

We report the first detection in the JK = 10–00 rotational transition line of CH3D towards three Class 0/I proto-brown dwarfs (proto-BDs) from IRAM 30-m observations. Assuming a rotational temperature of 25 K, the CH3D abundances (relative to H2) are in the range of (2.3–14.5) × 10−7. The CH4 abundances derived from the CH3D abundances and assuming the DCO+/HCO+ ratios are in the range of (0.05–4.8) × 10−5. The gas-phase formation of CH3D via CH2D+ is enhanced at high densities of 108–1010 cm−3 and our observations are likely probing the innermost dense and warm regions in proto-BDs. Thermal and/or non-thermal desorption can return the CH3D and CH4 molecules formed at an early stage on grain surfaces to the gas-phase. The gas-phase abundances are indicative of warm carbon-chain chemistry in proto-BDs where carbon-chain molecules are synthesized in a lukewarm (∼20–30 K) region close to the central source. [ABSTRACT FROM AUTHOR]

Context. Spatially resolved continuum observations of planet-forming disks show prominent ring and gap structures in their dust distribution. However, the picture from gas observations is much less clear and constraints on the radial gas density structure (i.e. gas gaps) remain rare and uncertain. Aims. We want to investigate the importance of thermo-chemical processes for the interpretation of high-spatial-resolution gas observations of planet-forming disks and their impact on the derived gas properties. Methods. We applied the radiation thermo-chemical disk code PRODIMO (PROtoplanetary DIsk MOdel) to model the dust and gas disk of HD 163296 self-consistently, using the DSHARP (Disk Substructure at High Angular Resolution) gas and dust observations. With this model we investigated the impact of dust gaps and gas gaps on the observables and the derived gas properties, considering chemistry, and heating and cooling processes. Results. We find distinct peaks in the radial line intensity profiles of the CO line data of HD 163296 at the location of the dust gaps. Our model indicates that those peaks are not only a consequence of a gas temperature increase within the gaps but are mainly caused by the absorption of line emission from the back side of the disk by the dust rings. For two of the three prominent dust gaps in HD 163296, we find that thermo-chemical effects are negligible for deriving density gradients via measurements of the rotation velocity. However, for the gap with the highest dust depletion, the temperature gradient can be dominant and needs to be considered to derive accurate gas density profiles. Conclusions. Self-consistent gas and dust thermo-chemical modelling in combination with high-quality observations of multiple molecules are necessary to accurately derive gas gap depths and shapes. This is crucial to determine the origin of gaps and rings in planet-forming disks and to improve the mass estimates of forming planets if they are the cause of the gap. [ABSTRACT FROM AUTHOR]

Context. The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. Aims. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. Methods. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We applied the phyllosilicate formation to a zero-dimensional chemical model and to a 2D protoplanetary disk model (PRODIMO). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionisation, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Results. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2 × 104 cm-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 105 yr for 1 mm radius grains at a gas density of 108 cm-3. Conclusions. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects. [ABSTRACT FROM AUTHOR]

Mid-infrared molecular line emission detected with the Spitzer Space Telescope is often interpreted using slab models. However, we need to understand the mid-infrared line emission in 2D disk models, such that we gain information about from where the lines are being emitted and under which conditions, such that we gain information about number densities, temperatures, and optical depths in both the radial and vertical directions. In this paper, we introduce a series of 2D thermochemical models of a prototypical T Tauri protoplanetary disk, in order to examine how sensitive the line-emitting regions are to changes in the UV and X-ray fluxes, the disk flaring angle, dust settling, and the dust-to-gas ratio. These all affect the heating of the inner disk, and thus can affect the mid-infrared spectral lines. Using the ProDiMo and FLiTs codes, we produce a series of 2D thermochemical disk models. We find that there is often a significant difference between the gas and dust temperatures in the line emitting regions, and we illustrate that the size of the line emitting regions is relatively robust against changes in the stellar and disk parameters (namely, the UV and X-ray fluxes, the flaring angle, and dust settling). These results demonstrate the potential for localized variations in the line-emitting region to greatly affect the resulting spectra and line fluxes, and the necessity of allowing for such variations in our models. [ABSTRACT FROM AUTHOR]

Context. Chemical Gas-phase reactions of simple molecules have been recently revised to include atom tunneling at very low temperatures. This paper investigates the impact of the increased reaction rate constant due to tunneling effects on planet-forming disks. Aims. Our aim is to quantify the astrophysical implications of atom tunneling for simple molecules that are frequently used to infer disk structure information or to define the initial conditions for planet (atmosphere) formation. Methods. We quantify the tunneling effect on reaction rate constants by using H2 + OH → H2O + H as a scholarly example in comparison to previous UMIST2012 rate constants. In a chemical network with 1299 reactions, we identify all chemical reactions that could show tunneling effects. We devise a simple formulation of reaction rate constants that overestimates tunneling and screen a standard T Tauri disk model for changes in species abundances. For those reactions found to be relevant, we find values of the most recent literature for the rate constants including tunneling and compare the resulting disk chemistry to the standard disk model(s), a T Tauri and a Herbig disk. Results. The rate constants in the UMIST2012 database in many cases already capture tunneling effects implicitly, as seen in the curvature of the Arrhenius plots of some reactions at low temperature. A rigorous screening procedure identified three neutral-neutral reactions where atom tunneling could change simple molecule abundances. However, by adopting recent values of the rate constants of these reactions and due to the layered structure of planet-forming disks, the effects are limited to a small region between the ion-molecule dominated regime and the ice reservoirs where cold (<250 K) neutral-neutral chemistry dominates. Abundances of water close to the midplane snowline can increase by a factor of two at most compared to previous results with UMIST2012 rates. Observables from the disk surface, such as high excitation (>500 K) water line fluxes, decrease by 60% at most when tunneling effects are explicitly excluded. On the other hand, disk midplane quantities relevant for planet formation such as the C-to-O ratio and also the ice-to-rock ratio are clearly affected by these gas-phase tunneling effects. [ABSTRACT FROM AUTHOR]

In this paper, we couple the dust evolution code two-pop-py with the thermochemical disk modelling code ProDiMo. We create a series of thermochemical disk models that simulate the evolution of dust over time from 0.018 to 10 Myr, including the radial drift, growth, and settling of dust grains. We examine the effects of this dust evolution on mid-infrared gas emission, focusing on the mid-infrared spectral lines of C2H2, CO2, HCN, NH3, OH, and H2O, which are readily observable with Spitzer and the upcoming E-ELT and JWST. The addition of dust evolution acts to increase line fluxes by reducing the population of small dust grains. We find that the spectral lines of all species except C2H2 respond strongly to dust evolution; line fluxes increase by more than an order of magnitude across the model series as the density of small dust grains decreases over time. The C2H2 line fluxes are extremely low because of a low abundance in the infrared line-emitting regions, even though C2H2 is commonly detected with Spitzer, suggesting that warm chemistry in the inner disk may need further investigation. Finally, we find that the CO2 flux densities increase more rapidly than the other species as the dust disk evolves. This suggests that the flux ratios of CO2 to other species may be lower in disks with less-evolved dust populations. [ABSTRACT FROM AUTHOR]

We present a study of the CO isotopologues and the high-density tracers H2CO, HCO+, and CS in Class 0/I proto-brown dwarfs (proto-BDs). We have used the IRAM 30m telescope to observe the 12CO (2–1), 13CO (2–1), C18O (2–1), C17O (2–1), H2CO (3–2), HCO+ (3–2), and CS (5–4) lines in seven proto-BDs. The hydrogen column density for the proto-BDs derived from the CO gas emission is ∼2–15 times lower than that derived from the dust continuum emission, indicating CO depletion from the gas-phase. The mean H2CO ortho-to-para ratio is ∼3 for the proto-BDs and indicates gas-phase formation for H2CO. We have investigated the correlations in the molecular abundances between the proto-BDs and protostars. Proto-BDs on average show a factor of ∼2 higher ortho-to-para H2CO ratio than the protostars. Possible explanations include a difference in the H2CO formation mechanism, spin-selective photodissociation, self-shielding effects, or different emitting regions for the ortho and para species. There is a tentative trend of a decline in the HCO+ and H2CO abundances with decreasing bolometric luminosity, while the CS and CO abundances show no particular difference between the proto-BDs and protostars. These trends reflect the scaled-down physical structures for the proto-BDs compared to protostars and differences in the peak emitting regions for these species. The C17O isotopologue is detected in all of the proto-BDs as well as the more evolved Class Flat/Class II BDs in our sample, and can probe the quiescent gas at both early and late evolutionary stages. [ABSTRACT FROM AUTHOR]

We present the results from a study of nitrogen chemistry in Class 0/I proto-brown dwarfs (proto-BDs). We have used the IRAM 30 m telescope to observe the CN (2-1), HCN (3-2), and HNC (3-2) lines in seven proto-BDs. All proto-BDs show a large CN/HCN abundance ratio of >20, and an HNC/HCN abundance ratio close to or larger than unity. The enhanced CN/HCN ratios can be explained by high UV flux originating from an active accretion zone in the proto-BDs. The larger than unity HNC/HCN ratio for the proto-BDs is likely caused by a combination of low temperature and high density. Both CN and HNC show a flat distribution with CO, indicating that these species can survive in regions where CO is depleted. We have investigated the correlations in the molecular abundances of these species for the proto-BDs with Class 0/I protostars. We find tentative trends of CN (HCN) abundances being about an order of magnitude higher (lower) in the proto-BDs compared to protostars. HNC for the proto-BDs shows a nearly constant abundance unlike the large spread of ∼2 orders of magnitude seen for the protostars. Also notable is a rise in the HNC/HCN abundance ratio for the lowest luminosity objects, suggesting that this ratio is higher under low-temperature environments. None of the relatively evolved Class Flat/Class II brown dwarfs in our sample show emission in HNC. The HNC molecule can be considered as an efficient tracer to search and identify early-stage sub-stellar mass objects. [ABSTRACT FROM AUTHOR]

Context. Episodic accretion is an important process in the evolution of young stars and their environment. The observed strong luminosity bursts of young stellar objects likely have a long lasting (i.e. longer than the burst duration) impact on the chemical evolution of the disk and envelope of young stars. Aims. We aim to investigate the observational signatures of the chemical evolution in the post-burst phase for embedded sources. With such signatures it is possible to identify targets that experienced a recent luminosity burst. Methods. We present a new model for the chemistry of episodic accretion based on the two dimensional, radiation thermo-chemical disk code PRODIMO (PROtoplanetary DIsk MOdel). We have extended PRODIMO with a proper treatment for envelope structures. For a representative Class I model, we calculated the chemical abundances in the post-burst phase and produced synthetic observables such as intensity maps and radial intensity profiles. Results. During a burst, many chemical species, such as CO, sublimate from the dust surfaces. As the burst ends they freeze out again (post-burst phase). This freeze-out happens from inside-out due to the radial density gradient in the disk and envelope structure. This inside-out freeze-out produces clear observational signatures in spectral line emission, such as rings and distinct features in the slope of radial intensity profiles. We fitted synthetic C18O J = 2-1 observations with single and two component fits and find that post-burst images are much better matched by the latter. Comparing the quality of such fits therefore allows identification of post-burst targets in a model-independent way. Conclusions. Our models confirm that it is possible to identify post-burst objects from spatially resolved CO observations. However, to derive proper statistics, such as the strength and frequencies of bursts, from observations it is important to consider the inclination and structure of the target and dust properties, as these have a significant impact on the freeze-out timescale. [ABSTRACT FROM AUTHOR]

The physical properties of brown dwarf discs, in terms of their shapes and sizes, are still largely unexplored by observations. ALMA has by far the best capabilities to observe these discs in sub-mm CO lines and dust continuum, while also spatially resolving some discs. To what extent brown dwarf discs are similar to scaled-down T Tauri discs is currently unknown, and this work is a step towards establishing a relationship through the eventual modelling of future observations. We use observations of the brown dwarf disc p Oph 102 to infer a fiducial model around which we build a small grid of brown dwarf disc models, in order to model the CO, HCN, and HCO+ line fluxes and the chemistry which drives their abundances. These are the first brown dwarf models to be published which relate detailed, 2D radiation thermochemical disc models to observational data. We predict that moderately extended ALMA antenna configurations will spatially resolve CO line emission around brown dwarf discs, and that HCN and HCO+ will be detectable in integrated flux, following our conclusion that the flux ratios of these molecules to CO emission are comparable to that of T Tauri discs. These molecules have not yet been observed in sub-mm wavelengths in a brown dwarf disc, yet they are crucial tracers of the warm surface-layer gas and of ionization in the outer parts of the disc. We present the prediction that if the physical and chemical processes in brown dwarf discs are similar to those that occur in T Tauri discs - as our models suggest - then the same diagnostics that are used for T Tauri discs can be used for brown dwarf discs (such as HCN and HCO+ lines that have not yet been observed in the sub-mm), and that these lines should be observable with ALMA. Through future observations, either confirmation (or refutation) of these ideas about brown dwarf disc chemistry will have strong implications for our understanding of disc chemistry, structure, and subsequent planet formation in brown dwarf discs. [ABSTRACT FROM AUTHOR]

Episodic accretion is an important process in the evolution of young stars and their surroundings. A consequence of an episodic accretion event is a luminosity burst, which heats the protostellar environment and has a long lasting impact on the chemical evolution of the disk and envelope of young stars. We present a new model for the chemistry of episodic accretion based on the 2D radiation thermo-chemical disk code ProDiMo. We discuss the impact of an episodic accretion burst on the chemical evolution of CO and its observables. Furthermore we present a model for the outbursting source V883 Ori where we fitted available observational data to get an accurate physical structure that allows for a detailed study of the chemistry. [ABSTRACT FROM AUTHOR]

HD 163296 is a young star surrounded by a planet-forming disk that shows clear signatures of dust gaps and rings; likely an indication of ongoing planet formation. We use the radiation thermochemical disk code ProDiMo to investigate the impact of dust/gas gaps on the temperature, chemistry and observables. Furthermore, we model high spatial resolution gas and dust observation of HD 163296 (ALMA/DSHARP). Our first results indicate that features in the observed radial intensity profile of the 12CO line are a consequence of the dust gaps and do not require gas depletion. Those preliminary results indicate that self-consistent modelling of the gas (chemistry, heating/cooling) and dust is necessary to accurately infer the degree of gas depletion within dust gaps. Such information is crucial to understand the processes that generate the disk substructure and their relation to planet formation. [ABSTRACT FROM AUTHOR]

High spatial resolution observations with ALMA and VLT/SPHERE show gaps and rings in continuum emission of protoplanetary disks, possibly indicating ongoing planet formation. However, it is still unclear if the gas follows the dust distribution. We present radiation thermo-chemical models for the disk of HD 163296 to study the impact of dust and gas gaps on the chemistry and molecular line emission. We compare a model with only dust gaps to a model that also has gas gaps. In both models, rings and gaps are visible in (sub)mm molecular line emission. Due to chemistry, certain molecules are sensitive to dust gaps where others are more sensitive to gas depletion. Observations of multiple molecules might allow to accurately determine the degree of gas depletion within the dust gaps, information crucial to discriminate between gap formation theories (e.g. planets, ice lines). [ABSTRACT FROM AUTHOR]

Molecular gas constitutes the dominant mass component of protoplanetary discs. To date, these sources have not been studied comprehensively at the longest far-infrared and shortest submillimetre wavelengths. This paper presents Herschel SPIRE FTS spectroscopic observations towards 18 protoplanetary discs, covering the entire 450–1540 GHz (666–195 μm) range at ν/Δν ≈ 400–1300. The spectra reveal clear detections of the dust continuum and, in six targets, a significant amount of spectral line emission primarily attributable to 12CO rotational lines. Other targets exhibit little to no detectable spectral lines. Low signal-to-noise detections also include signatures from 13CO, [C i] and HCN. For completeness, we present upper limits of non-detected lines in all targets, including low-energy transitions of H2O and CH+ molecules. The 10 12CO lines that fall within the SPIRE FTS bands trace energy levels of ∼50–500 K. Combined with lower and higher energy lines from the literature, we compare the CO rotational line energy distribution with detailed physical–chemical models, for sources where these are available and published. Our 13CO line detections in the disc around Herbig Be star HD 100546 exceed, by factors of ∼10–30, the values predicted by a model that matches a wealth of other observational constraints, including the SPIRE 12CO ladder. To explain the observed 12CO/13CO ratio, it may be necessary to consider the combined effects of optical depth and isotope selective (photo)chemical processes. Considering the full sample of 18 objects, we find that the strongest line emission is observed in discs around Herbig Ae/Be stars, although not all show line emission. In addition, two of the six T Tauri objects exhibit detectable 12CO lines in the SPIRE range. [ABSTRACT FROM AUTHOR]

We observed a sample of 20 representative Herbig Ae/Be stars and 5 A-type debris discs with PACS onboard Herschel, as part of the GAS in Protoplanetary Systems (GASPS) project. The observations were done in spectroscopic mode, and cover the far-infrared lines of [O I], [C II], CO, CH+, H2O, and OH. We have a [Oi] 63 μm detection rate of 100% for the Herbig Ae/Be and 0% for the debris discs. The [OI] 145 μm line is only detected in 25% and CO J = 18-17 in 45% (and fewer cases for higher J transitions) of the Herbig Ae/Be stars, while for [CII] 157 μm, we often find spatially variable background contamination. We show the first detection of water in a Herbig Ae disc, HD 163296, which has a settled disc. Hydroxyl is detected as well in this disc. First seen in HD 100546, CH+ emission is now detected for the second time in a Herbig Ae star, HD 97048. We report fluxes for each line and use the observations as line diagnostics of the gas properties. Furthermore, we look for correlations between the strength of the emission lines and either the stellar or disc parameters, such as stellar luminosity, ultraviolet and X-ray flux, accretion rate, polycyclic aromatic hydrocarbon (PAH) band strength, and flaring. We find that the stellar ultraviolet flux is the dominant excitation mechanism of [OI] 63 μm, with the highest line fluxes being found in objects with a large amount of flaring and among the largest PAH strengths. Neither the amount of accretion nor the X-ray luminosity has an influence on the line strength. We find correlations between the line flux of [OI] 63 μm and [OI] 145 μm, CO J = 18-17 and [OI] 6300 Å, and between the continuum flux at 63 μm and at 1.3 mm, while we find weak correlations between the line flux of [O I] 63 μm and the PAH luminosity, the line flux of CO J = 3-2, the continuum flux at 63 μm, the stellar effective temperature, and the Brγ luminosity. Finally, we use a combination of the [O I] 63 μm and 12CO J = 2-1 line fluxes to obtain order of magnitude estimates of the disc gas masses, in agreement with the values that we find from detailed modelling of two Herbig Ae/Be stars, HD 163296 and HD 169142. [ABSTRACT FROM AUTHOR]

Line spectra of 68 Taurus T Tauri stars were obtained with the Herschel-PACS (Photodetector Array Camera and Spectrometer) instrument as part of the GASPS (GAS evolution in Protoplanetary Systems) survey of protoplanetary discs. A careful examination of the linescans centred on the [OI] 63.18 μm fine-structure line unveiled a line at 63.32 μm in some of these spectra. We identify this line with the 818 → 707 transition of ortho-water. It is detected confidently (i.e., >3σ) in eight sources, i.e., ∼24% of the sub-sample with gas-rich discs. Several statistical tests were used to search for correlations with other disc and stellar parameters such as line fluxes of [Oi] 6300 Å and 63.18 μm; X-ray luminosity and continuum levels at 63 μm and 850 μm. Correlations are found between the water line fluxes and the [O i] 63.18 μm line luminosity, the dust continuum, and possibly with the stellar X-ray luminosity. This is the first time that this line of warm water vapour has been detected in protoplanetary discs. We discuss its origins, in particular whether it comes from the inner disc and/or disc surface or from shocks in outflows and jets. Our analysis favours a disc origin, with the observed water vapour line produced within 2-3 AU from the central stars, where the gas temperature is of the order of 500-600 K. [ABSTRACT FROM AUTHOR]

We present detailed model fits to observations of the disc around the Herbig Ae star HD 163296. This well-studied object has an age of ∼4Myr, with evidence of a circumstellar disc extending out to ∼540AU. We use the radiation thermo-chemical disc code ProDiMo to model the gas and dust in the circumstellar disc of HD 163296, and attempt to determine the disc properties by fitting to observational line and continuum data. These include new Herschel/PACS observations obtained as part of the open-time key program GASPS (GAS in Protoplanetary Systems), consisting of a detection of the [Oi] 63 μm line and upper limits for several other far infrared lines. We complement this with continuum data and ground-based observations of the 12CO 3-2, 2-1 and 13CO J = 1-0 line transitions, as well as an upper limit for the H2 0-0 S(1) transition. We explore the effects of stellar ultraviolet variability and dust settling on the line emission, and on the derived disc properties. Our fitting efforts lead to derived gas/dust ratios in the range 9-100, depending on the assumptions made. We note that the line fluxes are sensitive in general to the degree of dust settling in the disc, with an increase in line flux for settled models. This is most pronounced in lines which are formed in the warm gas in the inner disc, but the low excitation molecular lines are also affected. This has serious implications for attempts to derive the disc gas mass from line observations. We derive fractional PAH abundances between 0.007 and 0.04 relative to ISM levels. Using a stellar and UV excess input spectrum based on a detailed analysis of observations, we find that the all observations are consistent with the previously assumed disc geometry. [ABSTRACT FROM AUTHOR]

The origin of Earth oceans is controversial. Earth could have acquired its water either from hydrated silicates (wet Earth scenario) or from comets (dry Earth scenario). [HDO]/[H2O] ratios are used to discriminate between the scenarios. High [HDO]/[H2O] ratios are found in Earth oceans. These high ratios are often attributed to the release of deuterium enriched cometary water ice, which was formed at low gas and dust temperatures. Observations do not show high [HDO]/[H2O] in interstellar ices. We investigate the possible formation of high [HDO]/[H2O] ratios in dense and warm gas by gas-phase photochemistry in the absence of grain surface chemistry. We derive analytical solutions, taking into account the major neutral–neutral reactions for gases at . The chemical network is dominated by photodissociation and neutral–neutral reactions. Despite the high gas temperature, deuterium fractionation occurs because of the difference in activation energy between deuteration enrichment and the back reactions. The analytical solutions were confirmed by the time-dependent chemical results in a disc around a typical T Tauri star using the photochemical code ProDiMo. The ProDiMo code includes frequency-dependent 2D dust-continuum radiative transfer, detailed non-local thermodynamic equilibrium gas heating and cooling and hydrostatic calculation of the disc structure. Both analytical and time-dependent models predict high [HDO]/[H2O] ratios in the terrestrial planet-forming region (<3 au) of circumstellar discs. Therefore, the [HDO]/[H2O] ratio may not be an unique criterion to discriminate between the different origins of water on the Earth. [ABSTRACT FROM AUTHOR]

We have combined the thermo-chemical disc code ProDiMo with the Monte Carlo radiative transfer code MCFOST to calculate a grid of ∼300 000 circumstellar disc models, systematically varying 11 stellar, disc and dust parameters including the total disc mass, several disc shape parameters and the dust-to-gas ratio. For each model, dust continuum and line radiative transfer calculations are carried out for 29 far-infrared, sub-mm and mm lines of [O i], [C ii], 12CO and o/p-H2O under five inclinations. The grid allows us to study the influence of the input parameters on the observables, to make statistical predictions for different types of circumstellar discs and to find systematic trends and correlations between the parameters, the continuum fluxes and the line fluxes. The model grid, comprising the calculated disc temperature and chemical structures, the computed spectral energy distributions, line fluxes and profiles, will be used in particular for the data interpretation of the HERSCHEL open time-key program GASPS. The calculated line fluxes show a strong dependence on the assumed ultraviolet excess of the central star and on the disc flaring. The fraction of models predicting [O i] and [C ii] fine-structure lines fluxes above HERSCHEL/PACS and SPICA/SAFARI detection limits is calculated as a function of disc mass. The possibility of deriving the disc gas mass from line observations is discussed. [ABSTRACT FROM AUTHOR]

Anomalies in the abundance measurements of short lived radionuclides in meteorites indicate that the protosolar nebulae was irradiated by a large number of energetic particles (E≳ 10 MeV), often called solar cosmic rays. The particle flux of the contemporary Sun cannot explain these anomalies, but, similar to T Tauri stars, the young Sun was more active and probably produced enough high energy particles. However, the stellar particle (SP) flux of young stars is essentially unknown. We model the impact of high-energy ionization sources on the chemistry of the circumstellar environment (disks and envelopes). The model includes X-ray radiative transfer and makes use of particle transport models to calculate the individual molecular hydrogen ionization rates. We study the impact on the chemistry via the ionization tracers HCO+ and N2H+. We argue that spatially resolved observations of those molecules combined with detailed models allow for disentangling the contribution of the individual high-energy ionization sources and to put constraints on the SP flux in young stars. [ABSTRACT FROM AUTHOR]