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Register a new userImpact of grain evolution on the chemical structure of protoplanetary disks
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A.I. Vasyunin
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We study the impact of dust evolution in a protoplanetary disk around a T Tauri star on the disk chemical composition. For the first time we utilize a comprehensive model of dust evolution which includes growth, fragmentation and sedimentation. Specific attention is paid to the influence of grain evolution on the penetration of the UV field in the disk. A chemical model that includes a comprehensive set of gas phase and grain surface chemical reactions is used to simulate the chemical structure of the disk. The main effect of the grain evolution on the disk chemical composition comes from sedimentation, and, to a lesser degree, from the reduction of the total grain surface area. The net effect of grain growth is suppressed by the fragmentation process which maintains a population of small grains, dominating the total grain surface area. We consider three models of dust properties. In model GS both growth and sedimentation are taken into account. In models A5 and A4 all grains are assumed to have the same size (10(-5) cm and 10(-4) cm, respectively) with constant gas-to-dust mass ratio of 100. Like in previous studies, the three-layer pattern (midplane, molecular layer, hot atmosphere) in the disk chemical structure is preserved in all models, but shifted closer to the midplane in models with increased grain size (GS and A4). Unlike other similar studies, we find that in models GS and A4 column densities of most gas-phase species are enhanced by 1-3 orders of magnitude relative to those in a model with pristine dust (A5), while column densities of their surface counterparts are decreased. We show that column densities of certain species, like C2H, HC(2n+1)N (n=0-3), H2O and some other molecules, as well as the C2H2/HCN abundance ratio which are accessible with Herschel and ALMA can be used as observational tracers of early stages of the grain evolution process in protoplanetary disks.
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Grain surface chemistry is key to the composition of protoplanetary disks around young stars. The temperature of grains depends on their size. We evaluate the impact of this temperature dependence on the disk chemistry. We model a moderately massive disk with 16 different grain sizes. We use POLARIS to calculate the dust grain temperatures and the local UV flux. We model the chemistry using the 3-phase astrochemical code NAUTILUS. Photoprocesses are handled using frequency-dependent cross-sections, and a new method to account for self and mutual shielding. The multi-grain model outputs are compared to those of single-grain size models (0.1 $mu$m), with two different assumptions for their equivalent temperature. We find that the Langmuir-Hinshelwood (LH) mechanism at equilibrium temperature is not efficient to form H$_2$ at 3-4 scale heights ($H$), and adopt a parametric fit to a stochastic method to model H$_2$ formation instead. We find the molecular layer composition (1-3 $H$) to depend on the amount of remaining H atoms. Differences in molecular surface densities between single and multi-grain models are mostly due to what occurs above 1.5 $H$. At 100 au, models with colder grains produce H$_2$O and CH$_4$ ices in the midplane, and warmer ones produce more CO$_2$ ices, both allowing efficient depletion of C and O as soon as CO sticks on grain surfaces. Complex organic molecules (COMs) production is enhanced by the presence of warmer grains in the multi-grain models. Using a single grain model mimicking grain growth and dust settling fails to reproduce the complexity of gas-grain chemistry. Chemical models with a single grain size are sensitive to the adopted grain temperature, and cannot account for all expected effects. A spatial spread of the snowlines is expected to result from the ranges in grain temperature. The amplitude of the effects will depend on the dust disk mass.
Turbulence is the dominant source of collisional velocities for grains with a wide range of sizes in protoplanetary disks. So far, only Kolmogorov turbulence has been considered for calculating grain collisional velocities, despite the evidence that turbulence in protoplanetary disks may be non-Kolmogorov. In this work, we present calculations of grain collisional velocities for arbitrary turbulence models characterized by power-law spectra and determined by three dimensionless parameters: the slope of the kinetic energy spectrum, the slope of the auto-correlation time, and the Reynolds number. The implications of our results are illustrated by numerical simulations of the grain size evolution for different turbulence models. We find that for the modeled cases of the Iroshnikov-Kraichnan turbulence and the turbulence induced by the magneto-rotational instabilities, collisional velocities of small grains are much larger than those for the standard Kolmogorov turbulence. This leads to faster grain coagulation in the outer regions of protoplanetary disks, resulting in rapid increase of dust opacity in mm-wavelength and possibly promoting planet formation in very young disks.
We study details of the UV radiation transfer in a protoplanetary disk, paying attention to the influence of dust growth and sedimentation on the disk density and temperature. Also, we show how the dust evolution affects photoreaction rates of key molecules, like CN and CS.
We present a self-consistent model of a protoplanetary disk: ANDES (AccretioN disk with Dust Evolution and Sedimentation). ANDES is based on a flexible and extendable modular structure that includes 1) a 1+1D frequency-dependent continuum radiative transfer module, 2) a module to calculate the chemical evolution using an extended gas-grain network with UV/X-ray-driven processes surface reactions, 3) a module to calculate the gas thermal energy balance, and 4) a 1+1D module that simulates dust grain evolution. For the first time, grain evolution and time-dependent molecular chemistry are included in a protoplanetary disk model. We find that grain growth and sedimentation of large grains to the disk midplane lead to a dust-depleted atmosphere. Consequently, dust and gas temperatures become higher in the inner disk (R < 50 AU) and lower in the outer disk (R > 50 AU), in comparison with the disk model with pristine dust. The response of disk chemical structure to the dust growth and sedimentation is twofold. First, due to higher transparency a partly UV-shielded molecular layer is shifted closer to the dense midplane. Second, the presence of big grains in the disk midplane delays the freeze-out of volatile gas-phase species such as CO there, while in adjacent upper layers the depletion is still effective. Molecular concentrations and thus column densities of many species are enhanced in the disk model with dust evolution, e.g., CO2, NH2CN, HNO, H2O, HCOOH, HCN, CO. We also show that time-dependent chemistry is important for a proper description of gas thermal balance.
Turbulence in the protoplanetary disks induces collisions between dust grains, and thus facilitates grain growth. We investigate the two fundamental assumptions of the turbulence in obtaining grain collisional velocities -- the kinetic energy spectrum and the turbulence autocorrelation time -- in the context of the turbulence generated by the magneto-rotational instability (MRI). We carry out numerical simulations of the MRI as well as driven turbulence, for a range of physical and numerical parameters. We find that the convergence of the turbulence $alpha$-parameter does not necessarily imply the convergence of the energy spectrum. The MRI turbulence is largely solenoidal, for which we observe a persistent kinetic energy spectrum of $k^{-4/3}$. The same is obtained for solenoidal driven turbulence with and without magnetic field, over more than 1 dex near the dissipation scale. This power-law slope appears to be converged in terms of numerical resolution, and to be due to the bottleneck effect. The kinetic energy in the MRI turbulence peaks at the fastest growing mode of the MRI. In contrast, the magnetic energy peaks at the dissipation scale. The magnetic energy spectrum in the MRI turbulence does not show a clear power-law range, and is almost constant over approximately 1 dex near the dissipation scale. The turbulence autocorrelation time is nearly constant at large scales, limited by the shearing timescale, and shows a power-law drop close to $k^{-1}$ at small scales, with a slope steeper than that of the eddy crossing time. The deviation from the standard picture of the Kolmogorov turbulence with the injection scale at the disk scale height can potentially have a significant impact on the grain collisional velocities.
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