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C. Brinch

Publications and source records attributed to C. Brinch.

At least 19 recordsLinked to original sources

Chemistry of a newly detected circumbinary disk in Ophiuchus

(Abridged) Astronomers recently started discovering exoplanets around binary systems. Therefore, understanding the formation and evolution of circumbinary disks is crucial for a complete scenario of planet formation. The aim of this paper is to present the detection of a circumbinary disk around Oph-IRS67 and analyse its structure. We present high-angular-resolution (0.4", 60 AU) observations of C17O, H13CO+ , C34S, SO2, C2H and c-C3H2 molecular transitions with ALMA at 0.8 mm. The spectrally and spatially resolved maps reveal the kinematics of the circumbinary disk as well as its chemistry. Molecular abundances are estimated using RADEX. The continuum emission reveals the presence of a circumbinary disk around the two sources. This disk has a diameter of ~620 AU and is well traced by C17O and H13CO+ emission. C2H and c-C3H2 trace a higher-density region which is spatially offset from the sources (~430 AU). Finally, SO2 shows compact emission around one of the sources, Oph-IRS67 B. The molecular transitions which trace the circumbinary disk are consistent with a Keplerian profile on disk scales (< 200 AU) and an infalling profile for envelope scales (> 200 AU). The Keplerian fit leads to a mass of 2.2 Msun. Inferred CO abundances w.r.t. H2 are comparable to the canonical ISM value of 2.7e-4. This study proves the first detection of the circumbinary disk associated with Oph-IRS67. The disk is chemically differentiated from the nearby high-density region. The lack of methanol emission suggests the extended disk dominates the mass budget in the inner- most regions of the protostellar envelope, generating a flat density profile where less material is exposed to high temperatures. Thus, complex organic molecules would be associated with lower column densities. Finally, Oph-IRS67 is a promising candidate for the detection of both circumstellar disks with higher-angular-resolution observations.

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The ALMA-PILS survey: 3D modeling of the envelope, disks and dust filament of IRAS 16293-2422

Context. The Class 0 protostellar binary IRAS 16293-2422 is an interesting target for (sub)millimeter observations due to, both, the rich chemistry toward the two main components of the binary and its complex morphology. Its proximity to Earth allows the study of its physical and chemical structure on solar system scales using high angular resolution observations. Such data reveal a complex morphology that cannot be accounted for in traditional, spherical 1D models of the envelope. Aims. The purpose of this paper is to study the environment of the two components of the binary through 3D radiative transfer modeling and to compare with data from the Atacama Large Millimeter/submillimeter Array. Such comparisons can be used to constrain the protoplanetary disk structures, the luminosities of the two components of the binary and the chemistry of simple species. Methods. We present 13CO, C17O and C18O J=3-2 observations from the ALMA Protostellar Interferometric Line Survey (PILS), together with a qualitative study of the dust and gas density distribution of IRAS 16293-2422. A 3D dust and gas model including disks and a dust filament between the two protostars is constructed which qualitatively reproduces the dust continuum and gas line emission. Results and conclusions. Radiative transfer modeling of source A and B, with the density solution of an infalling, rotating collapse or a protoplanetary disk model, can match the constraints for the disk-like emission around source A and B from the observed dust continuum and CO isotopologue gas emission. If a protoplanetary disk model is used around source B, it has to have an unusually high scale-height in order to reach the dust continuum peak emission value, while fulfilling the other observational constraints. Our 3D model requires source A to be much more luminous than source B; LA ~ 18 $L_\odot$ and LB ~ 3 $L_\odot$.

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Interferometric view of the circumstellar envelopes of northern FU Orionis-type stars

FU Orionis-type objects are young, low-mass stars with large outbursts in visible light that last for several years or decades. They are thought to represent an evolutionary phase during the life of every young star when accretion from the circumstellar disk is enhanced during recurring time periods. These outbursts are able to rapidly build up the star while affecting the circumstellar disk and thus the ongoing or future planet formation. In many models infall from a circumstellar envelope seems to be necessary to trigger the outbursts. We observed the J=1$-$0 rotational transition of $^{13}$CO and C$^{18}$O towards eight northern FU Orionis-type stars (V1057 Cyg, V1515 Cyg, V2492 Cyg, V2493 Cyg, V1735 Cyg, V733 Cep, RNO 1B and RNO 1C) and derive temperatures and envelope masses and discuss the morphology and kinematics of the circumstellar material. We detected extended CO emission associated with all our targets. Smaller scale CO clumps were found to be associated with five objects with radii of 2000$-$5000 AU and masses of 0.02$-$0.5 $M_{\odot}$; these are clearly heated by the central stars. Three of these envelopes are also strongly detected in the 2.7 mm continuum. No central CO clumps were detected around V733 Cep and V710 Cas but there are many other clumps in their environments. Traces of outflow activity were observed towards V1735 Cyg, V733 Cep and V710 Cas. The diversity of the observed envelopes enables us to set up an evolutionary sequence between the objects. We find their evolutionary state to range from early, embedded Class I stage to late, Class II-type objects with very low-mass circumstellar material. The results reinforce the idea of FU Orionis-type stars as representatives of a transitory stage between embedded Class I young stellar objects and classical T-Tauri stars.

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A young bipolar outflow from IRAS 15398-3359

Changing physical conditions in the vicinity of protostars allow for a rich and interesting chemistry to occur. Heating and cooling of the gas allows molecules to be released from and frozen out on dust grains. These changes in physics, traced by chemistry, as well as the kinematical information allows us to distinguish between different scenarios describing the infall of matter and the launching of molecular outflows and jets. We aim at determining the spatial distribution of different species, of different chemical origin. This is to examine the physical processes in play in the observed region. From the kinematical information of the emission lines we aim at determining the nature of the infalling and outflowing gas in the system. We also aim at determining the physical properties of the outflow. Maps from the Sub-Millimeter Array reveal the spatial distribution of the gaseous emission toward IRAS15398-3359. The line radiative transfer code LIME is used to construct a full 3D model of the system taking all relevant components and scales into account. CO, HCO+ and N2H+ are detected and are shown to trace the motions of the outflow. For CO, also the circumstellar envelope and the surrounding cloud have a profound impact on the observed line profiles. N2H+ is detected in the outflow, but is suppressed towards the central region, perhaps due to the competing reaction between CO and H3+ in the densest regions as well as destruction of N2H+ by CO. N2D+ is detected in a ridge south-west from the protostellar condensation. The morphology and kinematics of the CO emission suggests that the source is younger than 1000 years. The mass, momentum, momentum rate, mechanical luminosity, kinetic energy and mass-loss rate are also all estimated to be low. A full 3D radiative transfer model of the system can explain all the kinematical and morphological features in the system.

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Resolving the shocked gas in HH54 with Herschel: CO line mapping at high spatial and spectral resolution

The HH54 shock is a Herbig-Haro object, located in the nearby Chamaeleon II cloud. Observed CO line profiles are due to a complex distribution in density, temperature, velocity, and geometry. Resolving the HH54 shock wave in the far-infrared cooling lines of CO constrain the kinematics, morphology, and physical conditions of the shocked region. We used the PACS and SPIRE instruments on board the Herschel space observatory to map the full FIR spectrum in a region covering the HH54 shock wave. Complementary Herschel-HIFI, APEX, and Spitzer data are used in the analysis as well. The observed features in the line profiles are reproduced using a 3D radiative transfer model of a bow-shock, constructed with the Line Modeling Engine code (LIME). The FIR emission is confined to the HH54 region and a coherent displacement of the location of the emission maximum of CO with increasing J is observed. The peak positions of the high-J CO lines are shifted upstream from the lower J CO lines and coincide with the position of the spectral feature identified previously in CO(10-9) profiles with HIFI. This indicates a hotter molecular component in the upstream gas with distinct dynamics. The coherent displacement with increasing J for CO is consistent with a scenario where IRAS12500-7658 is the exciting source of the flow, and the 180 K bow-shock is accompanied by a hot (800 K) molecular component located upstream from the apex of the shock and blueshifted by -7 km s$^{-1}$. The spatial proximity of this knot to the peaks of the atomic fine-structure emission lines observed with Spitzer and PACS ([OI]63, 145 $μ$m) suggests that it may be associated with the dissociative shock as the jet impacts slower moving gas in the HH54 bow-shock.

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Interferometer predictions with triangulated images: solving the multi-scale problem

Interferometers play an increasingly important role for spatially resolved observations. If employed at full potential, interferometry can probe an enormous dynamic range in spatial scale. Interpretation of the observed visibilities requires the numerical compu- tation of Fourier integrals over the synthetic model images. To get the correct values of these integrals, the model images must have the right size and resolution. Insufficient care in these choices can lead to wrong results. We present a new general-purpose scheme for the computation of visibilities of radiative transfer images. Our method requires a model image that is a list of intensities at arbitrarily placed positions on the image-plane. It creates a triangulated grid from these vertices, and assumes that the intensity inside each triangle of the grid is a linear function. The Fourier integral over each triangle is then evaluated with an analytic expression and the complex visibility of the entire image is then the sum of all triangles. The result is a robust Fourier trans- form that does not suffer from aliasing effects due to grid regularities. The method automatically ensures that all structure contained in the model gets reflected in the Fourier transform.

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Adaptable Radiative Transfer Innovations for Submillimetre Telescopes (ARTIST) - Dust polarisation module (DustPol)

We present a new publicly available tool (DustPol) aimed to model the polarised thermal dust emission. The module DustPol, which is publicly available, is part of the ARTIST (Adaptable Radiative Transfer Innovations for Submillimetre Telescopes) package, which also offers tools for modelling the polarisation of line emission together with a model library and a Python-based user interface. DustPol can easily manage analytical as well as pre-gridded models to generate synthetic maps of the Stokes I, Q, and U parameters. These maps are stored in FITS format which is straightforwardly read by the data reduction software used, e.g., by the Atacama Large Millimeter Array (ALMA). This turns DustPol into a powerful engine for the prediction of the expected polarisation features of a source observed with ALMA or the Planck satellite as well as for the interpretation of existing submillimetre observations obtained with other telescopes. DustPol allows the parameterisation of the maximum degree of polarisation and we find that, in a prestellar core, if there is depolarisation, this effect should happen at densities of 10^6 cm-3 or larger. We compare a model generated by DustPol with the observational polarisation data of the low-mass Class 0 object NGC 1333 IRAS 4A, finding that the total and the polarised emission are consistent.

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Modelling Herschel observations of hot molecular gas emission from embedded low-mass protostars

Aims. Young stars interact vigorously with their surroundings, as evident from the highly rotationally excited CO (up to Eup=4000 K) and H2O emission (up to 600 K) detected by the Herschel Space Observatory in embedded low-mass protostars. Our aim is to construct a model that reproduces the observations quantitatively, to investigate the origin of the emission, and to use the lines as probes of the various heating mechanisms. Methods. The model consists of a spherical envelope with a bipolar outflow cavity. Three heating mechanisms are considered: passive heating by the protostellar luminosity, UV irradiation of the outflow cavity walls, and C-type shocks along the cavity walls. Line fluxes are calculated for CO and H2O and compared to Herschel data and complementary ground-based data for the protostars NGC1333 IRAS2A, HH 46 and DK Cha. The three sources are selected to span a range of evolutionary phases and physical characteristics. Results. The passively heated gas in the envelope accounts for 3-10% of the CO luminosity summed over all rotational lines up to J=40-39; it is best probed by low-J CO isotopologue lines such as C18O 2-1 and 3-2. The UV-heated gas and the C-type shocks, probed by 12CO 10-9 and higher-J lines, contribute 20-80% each. The model fits show a tentative evolutionary trend: the CO emission is dominated by shocks in the youngest source and by UV-heated gas in the oldest one. This trend is mainly driven by the lower envelope density in more evolved sources. The total H2O line luminosity in all cases is dominated by shocks (>99%). The exact percentages for both species are uncertain by at least a factor of 2 due to uncertainties in the gas temperature as function of the incident UV flux. However, on a qualitative level, both UV-heated gas and C-type shocks are needed to reproduce the emission in far-infrared rotational lines of CO and H2O.

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A single-dish survey of the HCO+, HCN, and CN emission toward the T Tauri disk population in Taurus

(Abridged) As the stellar X-ray and UV light penetration of a protoplanetary disk depends sensitively on the dust properties, trace molecular species like HCO+, HCN, and CN are expected to show marked differences from photoprocessing effects as the dust content in the disk evolves. We investigate the evolution of the UV irradiation of the molecular gas in a sample of classical T Tauri stars in Taurus that exhibit a wide range in grain growth and dust settling properties. We obtained HCO+ (J=3-2), HCN (J=3-2), and CN (J=2-1) observations of 13 sources with the JCMT. Our sample has 1.3mm fluxes in excess of 75mJy, indicating the presence of significant dust reservoirs; a range of dust settling as traced through their spectral slopes between 6, 13, and 25 microns; and varying degrees of grain growth as extrapolated from the strength of their 10-micron silicate emission features. We compare the emission line strengths with the sources' continuum flux and infrared features, and use detailed modeling based on two different model prescriptions to compare typical disk abundances for HCO+, HCN, and CN with the gas-line observations for our sample. We detected HCO+ (3-2) toward 6 disks, HCN (3-2) from 0 disks, and CN (2-1) toward 4 disks. For the complete sample, there is no correlation between the gas-line strengths or their ratios and either the sources' dust continuum flux or infrared slopes.

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LIME - a flexible, non-LTE line excitation and radiation transfer method for millimeter and far-infrared wavelengths

We present a new code for solving the molecular and atomic excitation and radiation transfer problem in a molecular gas and predicting emergent spectra. This code works in arbitrary three dimensional geometry using unstructured Delaunay latices for the transport of photons. Various physical models can be used as input, ranging from analytical descriptions over tabulated models to SPH simulations. To generate the Delaunay grid we sample the input model randomly, but weigh the sample probability with the molecular density and other parameters, and thereby we obtain an average grid point separation that scales with the local opacity. Our code does photon very efficiently so that the slow convergence of opaque models becomes traceable. When convergence between the level populations, the radiation field, and the point separation has been obtained, the grid is ray-traced to produced images that can readily be compared to observations. Because of the high dynamic range in scales that can be resolved using this type of grid, our code is particularly well suited for modeling of ALMA data. Our code can furthermore deal with overlapping lines of multiple molecular and atomic species.

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Water in low-mass star-forming regions with Herschel: HIFI spectroscopy of NGC1333

'Water In Star-forming regions with Herschel' (WISH) is a key programme dedicated to studying the role of water and related species during the star-formation process and constraining the physical and chemical properties of young stellar objects. The Heterodyne Instrument for the Far-Infrared (HIFI) on the Herschel Space Observatory observed three deeply embedded protostars in the low-mass star-forming region NGC1333 in several H2-16O, H2-18O, and CO transitions. Line profiles are resolved for five H16O transitions in each source, revealing them to be surprisingly complex. The line profiles are decomposed into broad (>20 km/s), medium-broad (~5-10 km/s), and narrow (<5 km/s) components. The H2-18O emission is only detected in broad 1_10-1_01 lines (>20 km/s), indicating that its physical origin is the same as for the broad H2-16O component. In one of the sources, IRAS4A, an inverse P Cygni profile is observed, a clear sign of infall in the envelope. From the line profiles alone, it is clear that the bulk of emission arises from shocks, both on small (<1000 AU) and large scales along the outflow cavity walls (~10 000 AU). The H2O line profiles are compared to CO line profiles to constrain the H2O abundance as a function of velocity within these shocked regions. The H2O/CO abundance ratios are measured to be in the range of ~0.1-1, corresponding to H2O abundances of ~10-5-10-4 with respect to H2. Approximately 5-10% of the gas is hot enough for all oxygen to be driven into water in warm post-shock gas, mostly at high velocities.

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Sensitive limits on the abundance of cold water vapor in the DM Tau protoplanetary disk

We performed a sensitive search for the ground-state emission lines of ortho- and para-water vapor in the DM Tau protoplanetary disk using the Herschel/HIFI instrument. No strong lines are detected down to 3sigma levels in 0.5 km/s channels of 4.2 mK for the 1_{10}--1_{01} line and 12.6 mK for the 1_{11}--0_{00} line. We report a very tentative detection, however, of the 1_{10}--1_{01} line in the Wide Band Spectrometer, with a strength of T_{mb}=2.7 mK, a width of 5.6 km/s and an integrated intensity of 16.0 mK km/s. The latter constitutes a 6sigma detection. Regardless of the reality of this tentative detection, model calculations indicate that our sensitive limits on the line strengths preclude efficient desorption of water in the UV illuminated regions of the disk. We hypothesize that more than 95-99% of the water ice is locked up in coagulated grains that have settled to the midplane.

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Origin of the hot gas in low-mass protostars: Herschel-PACS spectroscopy of HH 46

'Water in Star-forming regions with Herschel' (WISH) is a Herschel Key Programme aimed at understanding the physical and chemical structure of young stellar objects (YSOs) with a focus on water and related species. The low-mass protostar HH 46 was observed with the Photodetector Array Camera and Spectrometer (PACS) on the Herschel Space Observatory to measure emission in H2O, CO, OH, [OI], and [CII] lines located between 63 and 186 um. The excitation and spatial distribution of emission can disentangle the different heating mechanisms of YSOs, with better spatial resolution and sensitivity than previously possible. Far-IR line emission is detected at the position of the protostar and along the outflow axis. The OH emission is concentrated at the central position, CO emission is bright at the central position and along the outflow, and H2O emission is concentrated in the outflow. In addition, [OI] emission is seen in low-velocity gas, assumed to be related to the envelope, and is also seen shifted up to 170 km/s in both the red- and blue-shifted jets. Envelope models are constructed based on previous observational constraints. They indicate that passive heating of a spherical envelope by the protostellar luminosity cannot explain the high-excitation molecular gas detected with PACS, including CO lines with upper levels at >2500 K above the ground state. Instead, warm CO and H2O emission is probably produced in the walls of an outflow-carved cavity in the envelope, which are heated by UV photons and non-dissociative C-type shocks. The bright OH and [OI] emission is attributed to J-type shocks in dense gas close to the protostar. In the scenario described here, the combined cooling by far-IR lines within the central spatial pixel is estimated to be 2 \times 10-2 L_sun, with 60-80% attributed to J- and C-type shocks produced by interactions between the jet and the envelope.

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Methanol maps of low-mass protostellar systems: the Serpens Molecular Core

Observations of Serpens have been performed at the JCMT using Harp-B. Maps over a 4.5'x5.4' region were made in a frequency window around 338 GHz, covering the 7-6 transitions of methanol. Emission is extended over each source, following the column density of H2 but showing up also particularly strongly around outflows. The rotational temperature is low, 15-20 K, and does not vary with position within each source. The abundance is typically 10^-9 - 10^-8 with respect to H2 in the outer envelope, whereas "jumps" by factors of up to 10^2 -10^3 inside the region where the dust temperature exceeds 100 K are not excluded. A factor of up to ~ 10^3 enhancement is seen in outflow gas. In one object, SMM4, the ice abundance has been measured to be ~ 3x10^-5 with respect to H2 in the outer envelope, i.e., a factor of 10^3 larger than the gas-phase abundance. Comparison with C18O J=3-2 emission shows that strong CO depletion leads to a high gas-phase abundance of CH3OH not just for the Serpens sources, but for a larger sample of protostars. The observations illustrate the large-scale, low-level desorption of CH3OH from dust grains, extending out to and beyond 7500 AU from each source, a scenario which is consistent with non-thermal (photo-)desorption from the ice. The observations also illustrate the usefulness of CH3OH as a tracer of energetic input in the form of outflows, where methanol is sputtered from the grain surfaces. Finally, the observations provide further evidence of CH3OH formation through CO hydrogenation proceeding on grain surfaces in low-mass envelopes.

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The kinematics of NGC1333-IRAS2A - a true Class 0 protostar

Low-mass star formation is described by gravitational collapse of dense cores of gas and dust. At some point during the collapse, a disk is formed around the protostar and the disk will spin up and grow in size as the core contracts because of angular momentum conservation. The question is how early the disk formation process occurs. In this paper we aim to characterize the kinematical state of a deeply embedded, Class 0 young stellar object, NGC1333-IRAS2A, based on high angular resolution (< 1$''$ $\approx$ 200 AU) interferometric observations of HCN and H$^{13}$CN J = 4-3 from the Submillimeter Array, and test whether a circumstellar disk can be detected based on gas kinematic features. We adopt a physical model which has been shown to describe the object well and obtain a fit of a parameterized model of the velocity field, using a two-dimensional axis-symmetric radiation transfer code. The parameterization and fit to the high angular resolution data characterize the central dynamical mass and the ratio of infall velocity to rotation velocity. We find a large amount of infall and very little rotation on all scales. The central object has a relatively low mass of 0.25 M$_\odot$ . As an object with a low stellar mass compared to the envelope mass, we conclude that NGC1333-IRAS2A is consistent with the suggestion that, as a Class 0 object, it represents the earliest stages of star formation. The large amount of infall relative to rotation also suggests that this is a young object. We do however find the need of a central compact component on scales of a few hundred AU based on the continuum data, which suggests that disk formation happens shortly after the initial gravitational collapse. The data do not reveal a distinct velocity field for this 0.1 M$_\odot$ component.

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Modeling the chemical evolution of a collapsing prestellar core in two spatial dimensions

The physical conditions in a collapsing cloud can be traced by observations of molecular lines. To correctly interpret these observations the abundance distributions of the observed species need to be derived. The chemistry in a collapsing molecular cloud is not in a steady state as the density and temperature evolve. We therefore need to follow chemical reactions, both in the gas phase and on dust grains, as well as gas-grain interactions, to predict the abundance distributions. Our aim is to model the abundances of molecules, in the gas phase and on grain mantles in the form of ice, from prestellar core collapse to disk formation. We use a 2-dimensional hydrodynamical simulation as a physical model from which we take the density, temperature, and the flow of the gas. Trace particles, moving along with the gas, are used to follow the chemistry during prestellar core collapse and disk formation. The evolution of the abundances and the composition of ices on grain mantles were compared to observations. We also investigated the initial abundances to be adopted in more detailed modeling of protoplanetary disks by following the chemical evolution of trace particles accreting onto the disk. Fractional abundances of HCO+, N2H+, H2CO, HC3N, and CH3OH from our model with grain surface reactions provide a good match to observations, while abundances of CO, CS, SO, HCN, and HNC show better agreement without grain surface reactions. The observed mantle composition of dust grains is best reproduced when we include surface reactions. The initial chemical abundances to be used for detailed modeling of a protoplanetary disk are found to be different from those in dark interstellar clouds. Ices with a binding energy lower than about 1200 K sublimate before accreting onto the disk, while those with a higher binding energy do not.

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Characterizing the velocity field in hydrodynamical simulations of low-mass star formation using spectral line profiles

When low-mass stars form, the collapsing cloud of gas and dust goes through several stages which are usually characterized by the shape of their spectral energy distributions. Such classification is based on the cloud morphology only and does not address the dynamical state of the object. In this paper we investigate the initial cloud collapse and subsequent disk formation through the dynamical behavior as reflected in the sub-millimeter spectral emission line profiles. If a young stellar object is to be characterized by its dynamical structure it is important to know how accurately information about the velocity field can be extracted and which observables provide the best description of the kinematics. Of particular interest is the transition from infalling envelope to rotating disk, because this provides the initial conditions for the protoplanetary disk, such as mass and size. We use a hydrodynamical model, describing the collapse of a core and formation of a disk, to produce synthetic observables which we compare to calculated line profiles of a simple parameterized model. Because we know the velocity field from the hydrodynamical simulation we can determine in a quantitative way how well our best-fit parameterized velocity field reproduces the original. We use a molecular line excitation and radiation transfer code to produce spectra of both our hydro dynamical simulation as well as our parameterized model. We find that information about the velocity field can reasonably well be derived by fitting a simple model to either single-dish lines or interferometric data, but preferentially by using a combination of the two. Our result shows that it is possible to establish relative ages of a sample of young stellar objects using this method, independently of the details of the hydrodynamical model.

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Time-dependent CO depletion during the formation of protoplanetary disks

Understanding the gas abundance distribution is essential when tracing star formation using molecular line observations. Changing density and temperature conditions cause gas to freeze-out onto dust grains, and this needs to be taken into account when modeling a collapsing molecular cloud. This study aims to provide a realistic estimate of the CO abundance distribution throughout the collapse of a molecular cloud. We provide abundance profiles and synthetic spectral lines which can be compared to observations. We use a 2D hydrodynamical simulation of a collapsing cloud and subsequent formation of a protoplanetary disk as input for the chemical calculations. From the resulting abundances, synthetic spectra are calculated using a molecular excitation and radiation transfer code. We compare three different methods to calculate the abundance of CO. Our models also consider cosmic ray desorption and the effects of an increased CO binding energy. The resulting abundance profiles are compared to observations from the literature and are found to agree well. The resulting abundance profiles agree well with analytic approximations, and the corresponding line fluxes match observational data. Our developed method to calculate abundances in hydrodynamical simulations should greatly aid in comparing these to observations, and can easily be generalized to include gas-phase reaction networks.

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