arXiv subjects

P. Woitke

Publications and source records attributed to P. Woitke.

At least 19 recordsLinked to original sources

arXiv2024

Disentangling the dust and gas contributions of the JWST/MIRI spectrum of Sz28

Recent spectra of protoplanetary disks around very low-mass stars (VLMS), captured by the Mid-InfraRed Instrument (MIRI) on board the James Webb Space Telescope (JWST), reveal a rich carbon chemistry. Current interpretations of these spectra are based on 0D slab models and provide valuable estimates for molecular emission temperatures and column densities in the innermost disk. However, the established fitting procedures and simplified models are challenged by the many overlapping gas features. We aim to simultaneously determine the molecular and the dust composition of the disk around the VLMS Sz28 in a Bayesian way. We model the JWST/MIRI spectrum of Sz28 up to $17\,\rm \mu m$ using the Dust Continuum Kit with Line emission from Gas (DuCKLinG). Systematically excluding different molecules from the Bayesian analysis allows for an evidence determination of all investigated molecules and isotopologues. We continue by examining the emission conditions and locations of all molecules, analysing the differences to previous 0D slab fitting, and analysing the dust composition. We find very strong Bayesian evidence for the presence of C2H2, HCN, C6H6, CO2, HC3N, C2H6, C3H4, C4H2, and CH4 in the JWST/MIRI spectrum of Sz28. Additionally, we identify CH3 and find tentative indications for NH3. There is no evidence for water in the spectrum. However, we show that column densities of up to $2\times10^{17}\,\rm cm^{-2}$ could be hidden in the observational noise if assuming similar emission conditions of water as the detected hydrocarbons. Contrary to previous 0D slab results, a C4H2 quasi-continuum is robustly identified. We expect some of the stated differences to previous 0D slab fitting results to arise from an updated data reduction of the spectrum, but also due to the different modelling process. The latter reason underpins the need for more advanced models and fitting procedures.

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arXiv2024

Bayesian Analysis of Molecular Emission and Dust Continuum of Protoplanetary Disks

The Mid-InfraRed Instrument (MIRI) on board the James Webb Space Telescope (JWST) probes the chemistry and dust mineralogy of the inner regions of protoplanetary disks. The observed spectra are unprecedented in their detail, complicating interpretations which are mainly based on manual continuum subtraction and 0D slab models. We investigate the physical conditions under which the gas emits in protoplanetary disks. Based on MIRI spectra, we apply a full Bayesian analysis that provides the posterior distributions of dust and molecular properties. For doing so, we introduce the Dust Continuum Kit with Line emission from Gas (DuCKLinG), a model describing the molecular line emission and the dust continuum simultaneously without large computational cost. The dust model is based on work by Juhasz et al. (2009, 2010). The molecular emission is based on LTE slab models, but with radial gradients in column densities and temperatures. The model is compared to observations using Bayesian analysis. We benchmark this model to a complex thermo-chemical ProDiMo model and fit the MIRI spectrum of GWLup. We find that the retrieved molecular conditions from DuCKLinG fall within the true values from ProDiMo. The column densities retrieved by Grant et al. (2023) fall within the retrieved ranges in this study for all examined molecules (CO2, H2O, HCN, and C2H2). Similar overlap is found for the temperatures with only the temperature range of HCN not including the previously found value. This discrepancy may be due to the simultaneous fitting of all molecules compared to the step-by-step fitting of the previous study. There is statistically significant evidence for radial temperature and column density gradients for H2O and CO2 compared to the constant temperature and column density assumed in the 0D slab models. Additionally, HCN and C2H2 emit from a small region with near constant conditions.

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arXiv2024

CAI formation in the early Solar System

Ca-Al-rich inclusions (CAIs) are the oldest dated solid materials in the solar system, found as light-coloured crystalline ingredients in meteorites. Their formation time is commonly associated with age zero of the Solar System. Yet, the physical and chemical processes that once led to the formation of these sub-millimetre to centimetre-sized mineral particles in the early solar nebula are still a matter of debate. This paper proposes a pathway to form such inclusions during the earliest phases of disc evolution. We combine 1D viscous disc evolutionary models with 2D radiative transfer, equilibrium condensation, and new dust opacity calculations. We show that the viscous heating associated with the high accretion rates in the earliest evolutionary phases causes the midplane inside of about 0.5 au to heat up to limiting temperatures of about 1500-1700 K, but no further. These high temperatures force all refractory material components of the inherited interstellar dust grains to sublimate - except for a few Al-Ca-Ti oxides such as Al2O3, Ca2Al2SiO7, and CaTiO3. Once the Mg-Fe silicates are gone, the dust becomes more transparent and the heat is more efficiently transported to the disc surface, which prevents any further warm-up. This thermostat mechanism keeps these minerals above their annealing temperature for hundreds of thousands of years, which creates large, pure and crystalline particles. These particles are dragged out by the viscously spreading disc. Beyond about 0.5 au, the silicates re-condense on the Ca-Al-rich particles, adding an amorphous silicate matrix. We estimate that this mechanism to produce CAIs works during the first 50000 years of disc evolution. These particles then continue to move outward and populate the entire disc up to radii of about 50 au, before, eventually, the accretion rate subsides, the disc cools, and the particles start to drift inwards.

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arXiv2024

Mid-infrared evidence for iron-rich dust in the multi-ringed inner disk of HD 144432

Context. Rocky planets form by the concentration of solid particles in the inner few au regions of planet-forming disks. Their chemical composition reflects the materials in the disk available in the solid phase at the time the planets were forming. Aims. We aim to constrain the structure and dust composition of the inner disk of the young star HD 144432, using an extensive set of infrared interferometric data taken by the Very Large Telescope Interferometer (VLTI), combining PIONIER, GRAVITY, and MATISSE observations. Methods. We introduced a new physical disk model, TGMdust, to image the interferometric data, and to fit the disk structure and dust composition. We also performed equilibrium condensation calculations with GGchem. Results. Our best-fit model has three disk zones with ring-like structures at 0.15, 1.3, and 4.1 au. Assuming that the dark regions in the disk at ~0.9 au and at ~3 au are gaps opened by planets, we estimate the masses of the putative gap-opening planets to be around a Jupiter mass. We find evidence for an optically thin emission ($\tau<0.4$) from the inner two disk zones ($r<4$ au) at $\lambda>3\ \mu$m. Our silicate compositional fits confirm radial mineralogy gradients. To identify the dust component responsible for the infrared continuum emission, we explore two cases for the dust composition, one with a silicate+iron mixture and the other with a silicate+carbon one. We find that the iron-rich model provides a better fit to the spectral energy distribution. Conclusions. We propose that in the warm inner regions ($r<5$ au) of typical planet-forming disks, most if not all carbon is in the gas phase, while iron and iron sulfide grains are major constituents of the solid mixture along with forsterite and enstatite. Our analysis demonstrates the need for detailed studies of the dust in inner disks with new mid-infrared instruments such as MATISSE and JWST/MIRI.

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arXiv2023

2D disc modelling of the JWST line spectrum of EX Lupi

We introduce a number of new theoretical approaches and improvements to the thermo-chemical disc modelling code ProDiMo to better predict and analyse the JWST line spectra of protoplanetary discs. We develop a new line escape probability method for disc geometries, a new scheme for dust settling, and discuss how to apply UV molecular shielding factors to photorates in 2D disc geometry. We show that these assumptions are crucial for the determination of the gas heating/cooling rates and discuss how they affect the predicted molecular concentrations and line emissions. We apply our revised 2D models to the protoplanetary disc around the T Tauri star EX Lupi in quiescent state. We calculate infrared line emission spectra between 5 and 20 mic by CO, H2O, OH, CO2, HCN, C2H2 and H2, including lines of atoms and ions, using our full 2D predictions of molecular abundances, dust opacities, gas and dust temperatures. We develop a disc model with a slowly increasing surface density structure around the inner rim that can simultaneously fit the spectral energy distribution, the overall shape of the JWST spectrum of EX Lupi, and the main observed molecular characteristics in terms of column densities, emitting areas and molecular emission temperatures, which all result from one consistent disc model. The spatial structure of the line emitting regions of the different molecules is discussed. High abundances of HCN and C2H2 are caused in the model by stellar X-ray irradiation of the gas around the inner rim.

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arXiv2023

AESOPUS 2.0: Low-Temperature Opacities with Solid Grains

In this study we compute the equation of state and Rosseland mean opacity from temperatures of T~30000 K down to T~400 K, pushing the capabilities of the AESOPUS code (Marigo et al., 2022; Marigo & Aringer, 2009) into the regime where solid grains can form. The GGchem code (Woitke et al. 2018) is used to solve the chemistry for temperatures less than ~3000 K. Atoms, molecules, and dust grains in thermodynamic equilibrium are all included in the equation of state. To incorporate monochromatic atomic and molecular cross sections, an optimized opacity sampling technique is used. The Mie theory is employed to calculate the opacity of 43 grain species. Tables of Rosseland mean opacities for scaled-solar compositions are provided. Based on our computing resources, opacities for other chemical patterns, as well as various grain sizes, porosity, and shapes, can be easily computed upon user request to the corresponding author.

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arXiv2023

The sulphur species in hot rocky exoplanet atmospheres

The first JWST observations of hot Jupiters showed an unexpected detection of SO2 in their hydrogen-rich atmospheres. We investigate how much sulphur can be expected in the atmospheres of rocky exoplanets and which sulphur molecules can be expected to be most abundant and detectable by transmission spectroscopy. We run thermo-chemical equilibrium models at the crust-atmosphere interface, considering surface temperatures 500 to 5000 K, surface pressures 1 to 100 bar, and various sets of element abundances based on common rock compositions. Between 1000 K and 2000 K, we find gaseous sulphur concentrations of up to 25 percent above the rock in our models. SO2, SO, H2S and S2 are by far the most abundant sulphur molecules. SO2 shows potentially detectable features in transmission spectra at about 4 micron, between 7 and 8 micron, and beyond 15 micron. In contrast, the sometimes abundant H2S molecule is difficult to detect in these spectra, which are mostly dominated by H2O and CO2. Although the molecule PS only occurs with concentrations below 300 ppm, it can cause a strong absorption feature between 0.3 and 0.65 micron in some of our models for high surface pressures. The detection of sulphur molecules would enable a better characterisation of the planetary surface.

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arXiv2023

Analysing the SEDs of protoplanetary disks with machine learning

ABRIDGED. The analysis of spectral energy distributions (SEDs) of protoplanetary disks to determine their physical properties is known to be highly degenerate. Hence, a Bayesian analysis is required to obtain parameter uncertainties and degeneracies. The challenge here is computational speed, as one radiative transfer model requires a couple of minutes to compute. We performed a Bayesian analysis for 30 well-known protoplanetary disks to determine their physical disk properties, including uncertainties and degeneracies. To circumvent the computational cost problem, we created neural networks (NNs) to emulate the SED generation process. We created two sets of radiative transfer disk models to train and test two NNs that predict SEDs for continuous and discontinuous disks. A Bayesian analysis was then performed on 30 protoplanetary disks with SED data collected by the DIANA project to determine the posterior distributions of all parameters. We ran this analysis twice, (i) with old distances and additional parameter constraints as used in a previous study, to compare results, and (ii) with updated distances and free choice of parameters to obtain homogeneous and unbiased model parameters. We evaluated the uncertainties in the determination of physical disk parameters from SED analysis, and detected and quantified the strongest degeneracies. The NNs are able to predict SEDs within 1ms with uncertainties of about 5% compared to the true SEDs obtained by the radiative transfer code. We find parameter values and uncertainties that are significantly different from previous values obtained by $\chi^2$ fitting. Comparing the global evidence for continuous and discontinuous disks, we find that 26 out of 30 objects are better described by disks that have two distinct radial zones. Also, we created an interactive tool that instantly returns the SED predicted by our NNs for any parameter combination.

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arXiv2023

Simulation of CH$_3$OH ice UV photolysis under laboratory conditions

Methanol is the most complex molecule securely identified in interstellar ices and is a key chemical species for understanding chemical complexity in astrophysical environments. Important aspects of the methanol ice photochemistry are still unclear such as the branching ratios and photo-dissociation cross-sections at different temperatures and irradiation fluxes. This work aims at a quantitative agreement between laboratory experiments and astrochemical modelling of the CH3OH ice UV photolysis. This work also allows us to better understand which processes govern the methanol ice photochemistry present in laboratory experiments. We use ProDiMo to simulate the conditions of laboratory measurements. The simulations start with simple chemistry consisting only of methanol ice and helium to mimic the residual gas in the experimental chamber. A surface chemical network enlarged by photo-dissociation reactions is used to study the chemical reactions within the ice. Additionally, different surface chemistry parameters (surface competition, tunnelling, thermal diffusion and reactive desorption) are adopted to check those that reproduce the experimental results. The chemical models with ProDiMo can reproduce the methanol ice destruction via UV photodissociation at temperatures of 20, 30, 50 and 70 K as observed in the experiments. We note that the results are sensitive to different branching ratios after photolysis and to the mechanisms of reactive desorption. In the simulations of a molecular cloud at 20 K, we observed an increase in the methanol gas abundance of one order of magnitude, with a similar decrease in the solid-phase abundance. Comprehensive astrochemical models provide new insights into laboratory experiments as the quantitative understanding of the processes that govern the reactions within the ice. Ultimately, those insights can help to better interpret astronomical observations.

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arXiv2022

Interpreting molecular hydrogen and atomic oxygen line emission of T Tauri disks with photoevaporative disk-wind models

Winds in protoplanetary disks play an important role in their evolution and dispersal. However, what physical process is driving the winds is still unclear (i.e. magnetically vs thermally driven), and can only be understood by directly confronting theoretical models with observational data. We use hydrodynamic photoevaporative disk-wind models and post-process them with a thermo-chemical model to produce synthetic observables for the o-H$_2$ at 2.12 micron and [OI] at 0.63 micron spectral lines and directly compare the results to a sample of observations. Our photoevaporative disk-wind model is consistent with the observed signatures of the blueshifted narrow low-velocity component (NLVC), which is usually associated with slow disk winds, for both tracers. Only for one out of seven targets that show blueshifted NLVCs does the photoevaporative model fail to explain the observed line kinematics. Our results also indicate that interpreting spectral line profiles by simple methods, such as the thin-disk approximation, to determine the line emitting region can yield misleading conclusions. The photoevaporative disk-wind models are largely consistent with the studied observational data set, but it is not possible to clearly discriminate between different wind-driving mechanisms. Further improvements to the models, such as consistent modelling of the dynamics and chemistry and detailed modelling of individual targets would be beneficial. Furthermore, a direct comparison of magnetically driven disk-wind models to the observational data set is necessary in order to determine whether or not spatially unresolved observations of multiple wind tracers are sufficient to discriminate between theoretical models.

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arXiv2022

Modification of the radioactive heat budget of Earth-like exoplanets by the loss of primordial atmospheres

The initial abundance of radioactive heat producing isotopes in the interior of a terrestrial planet are important drivers of its thermal evolution and the related tectonics and possible evolution to an Earth-like habitat. The moderately volatile element K can be outgassed from a magma ocean into H$_2$-dominated primordial atmospheres of protoplanets with assumed masses between 0.55-1.0$ M_{\rm Earth}$ at the time when the gas disk evaporated. We estimate this outgassing and let these planets grow through impacts of depleted and non-depleted material that resembles the same $^{40}$K abundance of average carbonaceous chondrites until the growing protoplanets reach 1.0 $M_{\rm Earth}$. We examine different atmospheric compositions and, as a function of pressure and temperature, calculate the proportion of K by Gibbs Free Energy minimisation using the GGChem code. We find that for H$_2$-envelopes and for magma ocean surface temperatures that are $\ge$ 2500 K, no K condensates are thermally stable, so that outgassed $^{40}$K can populate the atmosphere to a great extent. However, due to magma ocean turn-over time and the limited diffusion of $^{40}$K into the upper atmosphere, from the entire $^{40}$K in the magma ocean only a fraction may be available for escaping into space. The escape rates of the primordial atmospheres and the dragged $^{40}$K are further simulated for different stellar EUV-activities with a multispecies hydrodynamic upper atmosphere evolution model. Our results lead to different abundances of heat producing elements within the fully grown planets which may give rise to different thermal and tectonic histories of terrestrial planets and their habitability conditions.

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arXiv2022

Mixing and diffusion in protoplanetary disc chemistry

We develop a simple iterative scheme to include vertical turbulent mixing and diffusion in ProDiMo thermo-chemical models for protoplanetary discs. The models are carefully checked for convergence toward the time-independent solution of the reaction-diffusion equations, as e.g. used in exoplanet atmosphere models. A series of five T Tauri disc models is presented where we vary the mixing parameter {\alpha} mix from 0 to 0.01 and take into account (a) the radiative transfer feedback of the opacities of icy grains that are mixed upward and (b) the feedback of the changing molecular abundances on the gas temperature structure caused by exothermic reactions and increased line heating/cooling. We see considerable changes of the molecular and ice concentrations in the disc. The most abundant species (H2, CH4, CO, the neutral atoms in higher layers, and the ices in the midplane) are transported both up and down, and at the locations where these abundant chemicals finally decompose, for example by photo processes, the release of reaction products has important consequences for all other molecules. This generally creates a more active chemistry, with a richer mixture of ionised, atomic, molecular and ice species and new chemical pathways that are not relevant in the unmixed case. We discuss the impact on three spectral observations caused by mixing and find that (i) icy grains can reach the observable disc surface where they cause ice absorption and emission features at IR to far-IR wavelengths, (ii) mixing increases the concentrations of certain neutral molecules observable by mid-IR spectroscopy, in particular OH, HCN and C2H2, and (iii) mixing can change the optical appearance of CO in ALMA line images and channel maps, where strong mixing would cause the CO molecules to populate the distant midplane.

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arXiv2022

Forming planets around stars with non-solar elemental composition

Stars in the solar neighbourhood have refractory element ratios slightly different from the Sun. It is unclear how much the condensation of solids and thus the composition of planets forming around these stars is affected. We aim to understand the impact of changing the ratios of refractory elements Mg, Si, and Fe within the range observed in solar type stars within 150~pc on the composition of planets forming around them. We use the GGchem code to simulate the condensation of solids in protoplanetary disks with a Minimum Mass Solar Nebula around main sequence G-type stars in the Solar neighbourhood. We extract the stellar elemental composition from the Hypatia database. We find that a lower Mg/Si ratio shifts the condensation sequence from forsterite (Mg$_2$SiO$_4$) and SiO to enstatite (MgSiO$_3$) and quartz (SiO$_2$); a lower Fe/S ratio leads to the formation of FeS and FeS$_2$ and little or no Fe-bearing silicates. Ratios of refractory elements translate directly from the gas phase to the condensed phase for $T\,<\,1000$~K. However, ratios with respect to volatile elements (e.g.\ oxygen and sulphur) in the condensates -- the building blocks of planets -- differ from the original stellar composition. Our study shows that the composition of planets crucially depends on the abundances of the stellar system under investigation. Our results can have important implications for planet interiors, which depend strongly on the degree of oxidation and the sulphur abundance.

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arXiv2021

SimAb: A simple, fast and flexible model to assess the effects of planet formation on the atmospheric composition of gas giants

We present a basic, fast, and flexible planet formation model, called SimAb (Simulating Abundances), to form giant planets and study their primary atmospheric composition soon after their formation. In SimAb we introduce parameters to simplify the assumptions about the complex physics involved in the formation of a planet. This approach allows us to trace and understand the influence of complex physical processes on the formed planets. We focus on the C/O ratio and the metallicity of the planetary atmosphere as an indicator of their compositions. We show that the initial protoplanet core mass does not influence the final composition of the planetary atmosphere in the context of our model. The initial orbital distance affects the C/O ratio due to the different C/O ratios in the gas phase and the solid phase at different orbital distances. Additionally, the initial orbital distance together with the amount of accreted planetesimals cause the planet to have sub-solar or super-solar metallicity. Furthermore, the C/O ratio is affected by the dust grain fraction and the planetesimal fraction. Planets that accrete most of their heavy elements through dust grains will have a C/O ratio close to the solar C/O ratio, while planets that accrete most of their heavy elements from the planetesimals in the disk will end up with a C/O ratio closer to the C/O ratio in the solid phase of the disk. By using the C/O ratio and metallicity together we can put a lower and upper boundary on the initial orbital distance where super-solar metallicity planets are formed. We show that planetesimals are the main source for reaching super-solar metallicity planets. On the other hand, planets that mainly accrete dust grains will show a more solar composition. Super-solar metallicity planets that initiate their formation farther than the CO ice line have a C/O ratio closer to the solar value.

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arXiv2020

Coexistence of CH4, CO2 and H2O in exoplanet atmospheres

We propose a classification of exoplanet atmospheres based on their H, C, O, N element abundances below about 600 K. Chemical equilibrium models were run for all combinations of H, C, N, O abundances, and three types of solutions were found, which are robust against variations of temperature, pressure and nitrogen abundance. Type A atmospheres contain H2O, CH4, NH3 and either H2 or N2, but only traces of CO2 and O2. Type B atmospheres contain O2, H2O, CO2 and N2, but only traces of CH4, NH3 and H2. Type C atmospheres contain H2O, CO2, CH4 and N2, but only traces of NH3, H2 and O2. Other molecules are only present in ppb or ppm concentrations in chemical equilibrium, depending on temperature. Type C atmospheres are not found in the solar system, where atmospheres are generally cold enough for water to condense, but exoplanets may well host such atmospheres. Our models show that graphite (soot) clouds can occur in type C atmospheres in addition to water clouds, which can occur in all types of atmospheres. Full equilibrium condensation models show that the outgassing from warm rock can naturally provide type C atmospheres. We conclude that type C atmospheres, if they exist, would lead to false positive detections of biosignatures in exoplanets when considering the coexistence of CH4 and CO2, and suggest other, more robust non-equilibrium markers.

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arXiv2020

Interpreting high spatial resolution line observations of planet-forming disks with gaps and rings -- The case of HD 163296

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. 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 derived gas properties. We apply the radiation thermo-chemical disk code ProDiMo (PROtoplanetary DIsk MOdel) to model self-consistently the dust and gas disk of HD 163296, using the DSHARP gas and dust observations. With this model we investigate the impact of dust gaps and gas gaps, considering chemistry and heating/cooling processes, on the observables and the derived gas properties. 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. 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.

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arXiv2020

A model exploration of NIR ro-vibrational CO emission as a tracer of inner cavities in protoplanetary disks

Near-IR observations of protoplanetary disks provide information about the properties of the inner disk. High resolution spectra of abundant molecules such as CO can be used to determine the disk structure in the warm inner parts. The $v2/v1$ ro-vibrational ratio of $v_{1-0}$ and $v_{2-1}$ transitions has been recently observed to follow distinct trends with the CO emitting radius, in a sample of TTauri and Herbig disks; these trends have been empirically interpreted as due to inner disk depletion from gas and dust. In this work we use existing thermo-chemical disk models to explore the interpretation of these observed trends in ro-vibrational CO emission. We use the radiation thermo-chemical code ProDiMo, exploring a set of previously published models with different disk properties and varying one parameter at a time: the inner radius, the dust-to-gas mass ratio, the gas mass. In addition, we use models where we change the surface density power law index, and employ a larger set of CO ro-vibrational levels, including also fluorescence from the first electronic state. We investigate these models for both TTauri and Herbig star disks. Finally, we include a set of DIANA models for individual TTauri and Herbig disks which were constructed to reproduce a large set of multi-wavelength observations.

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arXiv2019

The infrared line-emitting regions of T Tauri protoplanetary disks

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.

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