arXiv subjects

D. Semenov

Publications and source records attributed to D. Semenov.

107 records · Page 6Linked to original sources

arXiv2011

Chemical evolution of turbulent protoplanetary disks and the Solar nebula

This is the second paper in a series where we study the influence of transport processes on the chemical evolution of protoplanetary disks. Our analysis is based on a flared alpha-model of the DM Tau system, coupled to a large gas-grain chemical network. To account for production of complex molecules, the chemical network is supplied with an extended set of surface reactions and photo-processes in ice mantles. Our disk model covers a wide range of radii, 10-800 AU (from a Jovian planet-forming zone to the outer disk edge). Turbulent transport of gases and ices is implicitly modeled in full 2D along with the time-dependent chemistry. Two regimes are considered, with high and low efficiency of turbulent mixing. The results of the chemical model with suppressed turbulent diffusion are close to those from the laminar model, but not completely. A simple analysis for the laminar chemical model to highlight potential sensitivity of a molecule to transport processes is performed. It is shown that the higher the ratio of the characteristic chemical timescale to the turbulent transport timescale for a given molecule, the higher the probability that its column density will be affected by diffusion. We find that turbulent transport enhances abundances and column densities of many gas-phase species and ices, particularly, complex ones. For such species a chemical steady-state is not reached due to long timescales associated with evaporation and surface photoprocessing and recombination. In contrast, simple radicals and molecular ions, which chemical evolution is fast and proceeds solely in the gas phase, are not much affected by dynamics. All molecules are divided into three groups according to the sensitivity of their column densities to the turbulent diffusion. [Abridged]

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arXiv2010

Chemistry in Disks. IV. Benchmarking gas-grain chemical models with surface reactions

Abridged: We detail and benchmark two sophisticated chemical models developed by the Heidelberg and Bordeaux astrochemistry groups. The main goal of this study is to elaborate on a few well-described tests for state-of-the-art astrochemical codes covering a range of physical conditions and chemical processes, in particular those aimed at constraining current and future interferometric observations of protoplanetary disks. We consider three physical models: a cold molecular cloud core, a hot core, and an outer region of a T Tauri disk. Our chemical network (for both models) is based on the original gas-phase osu_03_2008 ratefile and includes gas-grain interactions and a set of surface reactions for the H-, O-, C-, S-, and N-bearing molecules. The benchmarking is performed with the increasing complexity of the considered processes: (1) the pure gas-phase chemistry, (2) the gas-phase chemistry with accretion and desorption, and (3) the full gas-grain model with surface reactions. Using atomic initial abundances with heavily depleted metals and hydrogen in its molecular form, the chemical evolution is modeled within 10^9 years. The time-dependent abundances calculated with the two chemical models are essentially the same for all considered physical cases and for all species, including the most complex polyatomic ions and organic molecules. This result however required a lot of efforts to make all necessary details consistent through the model runs, e.g. definition of the gas particle density, density of grain surface sites, the strength and shape of the UV radiation field, etc. The reference models and the benchmark setup, along with the two chemical codes and resulting time-dependent abundances are made publicly available in the Internet: http://www.mpia.de/homes/semenov/Chemistry_benchmark/home.html

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arXiv2010

Chemistry in Disks. III. -- Photochemistry and X-ray driven chemistry probed by the ethynyl radical (CCH) in DM Tau, LkCa 15, and MWC 480

We studied several representative circumstellar disks surrounding the Herbig Ae star MWC 480 and the T Tauri stars LkCa 15 and DM Tau at (sub-)millimeter wavelengths in lines of CCH. Our aim is to characterize photochemistry in the heavily UV-irradiated MWC 480 disk and compare the results to the disks around cooler T Tauri stars. We detected and mapped CCH in these disks with the IRAM Plateau de Bure Interferome- ter in the C- and D-configurations in the (1-0) and (2-1) transitions. Using an iterative minimization technique, the CCH column densities and excitation conditions are con- strained. Very low excitation temperatures are derived for the T Tauri stars. These values are compared with the results of advanced chemical modeling, which is based on a steady-state flared disk structure with a vertical temperature gradient, and a gas- grain chemical network with surface reactions. Both model and observations suggest that CCH is a sensitive tracer of the X-ray and UV irradiation. The predicted radial dependency and source to source variations of CCH column densities qualitatively agree with the observed values, but the predicted column densities are too low by a factor of several. The chemical model fails to reproduce high concentrations of CCH in very cold disk midplane as derived from the observed low excitation condition for both the (1-0) and (2-1) transitions.

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arXiv2008

Rotating molecular outflows: the young T Tauri star in CB26

The disk-outflow connection is thought to play a key role in extracting excess angular momentum from a forming proto-star. Though jet rotation has been observed in a few objects, no rotation of molecular outflows has been unambiguously reported so far. We report new millimeter-interferometric observations of the edge-on T Tauri star - disk system in the isolated Bok globule CB26. The aim of these observations was to study the disk-outflow relation in this 1Myr old low-mass young stellar object. The IRAM PdBI array was used to observe 12CO(2-1) at 1.3mm in two configurations, resulting in spectral line maps with 1.5 arcsec resolution. We use an empirical parameterized steady-state outflow model combined with 2-D line radiative transfer calculations and chi^2-minimization in parameter space to derive a best-fit model and constrain parameters of the outflow. The data reveal a previously undiscovered collimated bipolar molecular outflow of total length ~2000 AU, escaping perpendicular to the plane of the disk. We find peculiar kinematic signatures that suggest the outflow is rotating with the same orientation as the disk. However, we could not ultimately exclude jet precession or two misaligned flows as possible origin of the observed peculiar velocity field. There is indirect indication that the embedded driving source is a binary system, which, together with the youth of the source, could provide the clue to the observed kinematic features of the outflow. CB26 is so far the most promising source to study the rotation of a molecular outflow. Assuming that the outflow is rotating, we compute and compare masses, mass flux, angular momenta, and angular momentum flux of disk and outflow and derive disk dispersal timescales of 0.5...1 Myr, comparable to the age of the system.

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arXiv2008

Molecular Emission Line Formation in Prestellar Cores

We investigate general aspects of molecular line formation under conditions which are typical of prestellar cores. Focusing on simple linear molecules, we study formation of their rotational lines by radiative transfer simulations. We present a thermalization diagram to show the effects of collisions and radiation on the level excitation. We construct a detailed scheme (contribution chart) to illustrate the formation of emission line profiles. This chart can be used as an efficient tool to identify which parts of the cloud contribute to a specific line profile. We show how molecular line characteristics for uniform model clouds depend on hydrogen density, molecular column density, and kinetic temperature. The results are presented in a 2D plane to illustrate cooperative effects of the physical factors. We also use a core model with a non-uniform density distribution and chemical stratification to study the effects of cloud contraction and rotation on spectral line maps. We discuss the main issues that should be taken into account when dealing with interpretation and simulation of observed molecular lines.

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arXiv2008

Ethynyl (C2H) in massive star formation: Tracing the initial conditions?

APEX single-dish observations at sub-millimeter wavelengths toward a sample of massive star-forming regions reveal that C2H is almost omni-present toward all covered evolutionary stages from Infrared Dark Clouds via High-Mass Protostellar Objects to Ultracompact HII regions. High-resolution data from the Submillimeter Array toward one hot-core like High-Mass Protostellar Object show a shell-like distribution of C2H with a radius of ~9000AU around the central submm peak position. These observed features are well reproduced by a 1D cloud model with power-law density and temperature distributions and a gas-grain chemical network. The reactive C2H radical (ethynyl) is abundant from the onset of massive star formation, but later it is rapidly transformed to other molecules in the core center. In the outer cloud regions the abundance of C2H remains high due to constant replenishment of elemental carbon from CO being dissociated by the interstellar UV photons. We suggest that C2H may be a molecule well suited to study the initial conditions of massive star formation.

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arXiv2008

Chemical and thermal structure of protoplanetary disks as observed with ALMA

We predict how protoplanetary disks around low-mass young stars would appear in molecular lines observed with the ALMA interferometer. Our goal is to identify those molecules and transitions that can be used to probe and distinguish between chemical and physical disk structure and to define necessary requirements for ALMA observations. Disk models with and without vertical temperature gradient as well as with uniform abundances and those from a chemical network are considered. As an example, we show the channel maps of HCO$^+$(4-3) synthesized with a non-LTE line radiative transfer code and used as an input to the GILDAS ALMA simulator to produce noise-added realistic images. The channel maps reveal complex asymmetric patterns even for the model with uniform abundances and no vertical thermal gradient. We find that a spatial resolution of $0.2-0.5\arcsec$ and 0.5--10 hours of integration time will be needed to disentangle large-scale temperature gradients and the chemical stratification in disks in lines of abundant molecules.

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arXiv2007

Chemistry in Protoplanetary Disks: A Sensitivity Analysis

We study how uncertainties in the rate coefficients of chemical reactions in the RATE06 database affect abundances and column densities of key molecules in protoplanetary disks. We randomly varied the gas-phase reaction rates within their uncertainty limits and calculated the time-dependent abundances and column densities using a gas-grain chemical model and a flaring steady-state disk model. We find that key species can be separated into two distinct groups according to the sensitivity of their column densities to the rate uncertainties. The first group includes CO, C$^+$, H$_3^+$, H$_2$O, NH$_3$, N$_2$H$^+$, and HCNH$^+$. For these species, the column densities are not very sensitive to the rate uncertainties but the abundances in specific regions are. The second group includes CS, CO$_2$, HCO$^+$, H$_2$CO, C$_2$H, CN, HCN, HNC and other, more complex species, for which high abundances and abundance uncertainties co-exist in the same disk region, leading to larger scatters in the column densities. However, even for complex and heavy molecules, the dispersion in their column densities is not more than a factor of ~4. We perform a sensitivity analysis of the computed abundances to rate uncertainties and identify those reactions with the most problematic rate coefficients. We conclude that the rate coefficients of about a hundred of chemical reactions need to be determined more accurately in order to greatly improve the reliability of modern astrochemical models. This improvement should be an ultimate goal for future laboratory studies and theoretical investigations.

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arXiv2007

Molecular line radiative transfer in protoplanetary disks: Monte Carlo simulations versus approximate methods

We analyze the line radiative transfer in protoplanetary disks using several approximate methods and a well-tested Accelerated Monte Carlo code. A low-mass flaring disk model with uniform as well as stratified molecular abundances is adopted. Radiative transfer in low and high rotational lines of CO, C18O, HCO+, DCO+, HCN, CS, and H2CO is simulated. The corresponding excitation temperatures, synthetic spectra, and channel maps are derived and compared to the results of the Monte Carlo calculations. A simple scheme that describes the conditions of the line excitation for a chosen molecular transition is elaborated. We find that the simple LTE approach can safely be applied for the low molecular transitions only, while it significantly overestimates the intensities of the upper lines. In contrast, the Full Escape Probability (FEP) approximation can safely be used for the upper transitions ($J_{\rm up} \ga 3$) but it is not appropriate for the lowest transitions because of the maser effect. In general, the molecular lines in protoplanetary disks are partly subthermally excited and require more sophisticated approximate line radiative transfer methods. We analyze a number of approximate methods, namely, LVG, VEP (Vertical Escape Probability) and VOR (Vertical One Ray) and discuss their algorithms in detail. In addition, two modifications to the canonical Monte Carlo algorithm that allow a significant speed up of the line radiative transfer modeling in rotating configurations by a factor of 10--50 are described.

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arXiv2006

Gas-phase CO in protoplanetary disks: a challenge for turbulent mixing

This is the first paper in a series where we study the influence of turbulent diffusion and advective transport on the chemical evolution of protoplanetary disks, using a 2D flared disk model and a 2D mixing gas-grain chemical code with surface reactions. A first interesting result concerns the abundance of gas-phase CO in the outer regions of protoplanetary disks. In this Letter we argue that the gas-phase CO concentration in the disk regions, where the temperature is lower than $\sim25$ K, can be significantly enhanced due to the combined effect of vertical and radial mixing. This finding has a potential implication for the current observational data on the DM~Tau disk chemistry.

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arXiv2006

A rotating disk around the very young massive star AFGL 490

We observed the embedded, young 8--10 Msun star AFGL 490 at subarcsecond resolution with the Plateau de Bure Interferometer in the C17O (2--1) transition and found convincing evidence that AFGL 490 is surrounded by a rotating disk. Using two-dimensional modeling of the physical and chemical disk structure coupled to line radiative transfer, we constrain its basic parameters. We obtain a relatively high disk mass of 1 Msun and a radius of ~ 1500 AU. A plausible explanation for the apparent asymmetry of the disk morphology is given.

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arXiv2004

Millimeter observations and modeling of the AB Aurigae system

(Abriged) We present the results of millimeter observations and a suitable chemical and radiative transfer model of the AB Aur (HD 31293) circumstellar disk and surrounding envelope. The integral molecular content of this system is studied by observing CO, C$^{18}$O, CS, HCO$^+$, DCO$^+$, H$_2$CO, HCN, HNC, and SiO rotational lines with the IRAM 30-m antenna, while the disk is mapped in the HCO$^+$(1-0) transition with the Plateau de Bure interferometer. Using a flared disk model with a vertical temperature gradient and an isothermal spherical envelope model with a shadowed midplane and two unshielded cones together with a gas-grain chemical network, time-dependent abundances of observationally important molecules are calculated. Then a 2D non-LTE line radiative transfer code is applied to compute excitation temperatures of several rotational transitions of HCO$^+$, CO, C$^{18}$O, and CS molecules. We synthesize the HCO$^+$(1-0) interferometric map along with single-dish CO(2-1), C$^{18}$O(2-1), HCO$^+$(1-0), HCO$^+$(3-2), CS(2-1), and CS(5-4) spectra and compared them with the observations. Our disk model successfully reproduces observed interferometric HCO$^+$(1-0) data, thereby constraining the following disk properties: (1) the inclination angle $ι=17^{+6}_{-3}\degr$, (2) the position angle $ϕ=80\pm30\degr$, (3) the size $R_\mathrm{out}=400\pm200$ AU, (4) the mass $M_\mathrm{disk}=1.3\cdot10^{-2} M_{\sun}$ (with a factor of $\sim7$ uncertainty), and (5) that the disk is in Keplerian rotation. Furthermore, indirect evidence for a local inhomogeneity of the envelope at $\ga600$ AU is found...

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arXiv2004

Reduction of chemical networks. II. Analysis of the fractional ionisation in protoplanetary discs

(abridged) We analyse the evolution of the fractional ionisation in a steady-state protoplanetary disc with a vertical temperature gradient and with gas-grain chemistry including surface reactions. The ionisation due to stellar X-rays, stellar and interstellar UV radiation, cosmic rays and radionuclide decay is taken into account. Using our reduction schemes as a tool for the analysis, we isolate small sets of chemical reactions that reproduce the evolution of the ionisation degree at representative disc locations with an accuracy of 50%-100%. Column densities of key molecules are calculated and compared to the results of other recent studies and observational data.

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arXiv2003

Radiative Transfer Modeling of Passive Circumstellar Disks: Application to HR4796A

We present a radiative transfer model which computes the spectral energy distribution of a passive, irradiated, circumstellar disk, assuming the grains are in radiative equilibrium. Dependence on radial density profile, grain temperature estimation, and optical depth profiles on the output SED are discussed. The bist fit model for HR4796A has a minimum and maximum spherical grain size of 2.2 and 1000 μ$m respectively, a size distribution slightly steeper than the "classical" -3.5 MRN power law, grains composed of silicates, trolite, ice, and organics and a peak radial density of 1.0 x 10^-17 g cm^-2 at 70 AU, yielding a disk mass of roughly 2 M_{oplus}$.

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arXiv2003

Rosseland and Planck Mean Opacities for Protoplanetary Discs

In this paper, we present mean gas and dust opacities relevant to the physical conditions typical of protoplanetary discs. As the principal absorber for temperatures below ~1,500 K, we consider spherical and aggregate dust particles of various sizes, chemical structure, and porosity, consisting of ice, organics, troilite, silicates, and iron. For higher temperatures, ions, atoms, molecules, and electrons are included as the main opacity sources. Rosseland and Planck mean opacities are calculated for temperatures between 5 K and 10,000 K and gas densities ranging from 10^{-18} g/ccm to 10^{-7} g/ccm. The dependence on the adopted model of dust grains is investigated. We compare our results with recent opacity tables and show how different opacity models affect the calculated hydrodynamical structure of accretion discs.

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arXiv2002

Reduction of chemical networks. I. The case of molecular clouds

We present a new method to analyse and reduce chemical networks and apply this technique to the chemistry in molecular clouds. Using the technique, we investigated the possibility of reducing the number of chemical reactions and species in the UMIST 95 database simultaneously. In addition, we did the same reduction but with the ``objective technique'' in order to compare both methods. We found that it is possible to compute the abundance of carbon monoxide and fractional ionisation accurately with significantly reduced chemical networks in the case of pure gas-phase chemistry. For gas-grain chemistry involving surface reactions reduction is not worthwhile. Compared to the ``objective technique'' our reduction method is more effective but more time-consuming as well.

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arXiv2002

Probing Dust around Brown Dwarfs: The naked LP 944-20 and the Disk of Cha Ha2

We present the first mid-infrared (MIR) detection of a field brown dwarf (BD) and the first ground-based MIR measurements of a disk around a young BD candidate. We prove the absence of warm dust surrounding the field BD LP 944-20. In the case of the young BD candidate Cha Ha2, we find clear evidence for thermal dust emission from a disk. Surprisingly, the object does not exhibit any silicate feature as previously predicted. We show that the flat spectrum can be explained by an optically thick flat dust disk.

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