Aims. The long-term evolution of a circumstellar disk starting from its formation and ending in the T Tauri phase was simulated numerically with the purpose of studying the evolution of dust in the disk with distinct values of viscous α-parameter and dust fragmentation velocity v frag . Methods. We solved numerical hydrodynamics equations in the thin-disk limit, which are modified to include a dust component consisting of two parts: sub-micron-sized dust and grown dust with a maximum radius ar. The former is strictly coupled to the gas, while the latter interacts with the gas via friction. The conversion of small to grown dust, dust growth, and dust self-gravity are also considered. Results. We found that the process of dust growth known for the older protoplanetary phase also holds for the embedded phase of disk evolution. The dust growth efficiency depends on the radial distance from the star -ar is largest in the inner disk and gradually declines with radial distance. In the inner disk, ar is limited by the dust fragmentation barrier. The process of small-to-grown dust conversion is very fast once the disk is formed. The total mass of grown dust in the disk (beyond 1 AU) reaches tens or even hundreds of Earth masses already in the embedded phase of star formation and even a greater amount of grown dust drifts in the inner, unresolved 1 AU of the disk. Dust does not usually grow to radii greater than a few cm. A notable exception are models with α ≤ 10 −3 , in which case a zone with reduced mass transport develops in the inner disk and dust can grow to meter-sized boulders in the inner 10 AU. Grown dust drifts inward and accumulates in the inner disk regions. This effect is most pronounced in the α ≤ 10 −3 models where several hundreds of Earth masses can be accumulated in a narrow region of several AU from the star by the end of embedded phase. The efficiency of grown dust accumulation in spiral arms is stronger near corotation where the azimuthal velocity of dust grains is closest to the local velocity of the spiral pattern. In the framework of the adopted dust growth model, the efficiency of small-to-grown dust conversion was found to increase for lower values of α and v frag .

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We consider dust drift under the influence of stellar radiation pressure during the pressure-driven expansion of an H ii region using the chemo-dynamical model MAR-ION. Dust size distribution is represented by four dust types: conventional polycyclic aromatic hydrocarbons (PAHs), very small grains (VSGs), big grains (BGs) and also intermediate-sized grains (ISGs), which are larger than VSGs and smaller than BGs. The dust is assumed to move at terminal velocity determined locally from the balance between the radiation pressure and gas drag. As Coulomb drag is an important contribution to the overall gas drag, we evaluate a grain charge evolution within the H ii region for each dust type. BGs are effectively swept out of the H ii region. The spatial distribution of ISGs within the H ii region has a double peak structure, with a smaller inner peak and a higher outer peak. PAHs and VSGs are mostly coupled to the gas. The mean charge of PAHs is close to zero, so they can become neutral from time to time because of charge fluctuations. These periods of neutrality occur often enough to cause the removal of PAHs from the very interior of the H ii region. For VSGs, the effect of charge fluctuations is less pronounced but still significant. We conclude that accounting for charge dispersion is necessary to describe the dynamics of small grains.

In this paper, we extend the study initiated in Paper I by modelling grain ensemble evolution in a dynamical model of an expanding H ii region and checking the effects of momentum transfer from dust to gas. The radiation pressure on the dust, the dust drift and the lug on the gas by the dust are all important processes that should be considered simultaneously to describe the dynamics of H ii regions. By accounting for the momentum transfer from the dust to the gas, the expansion time of the H ii region is notably reduced (for our model of RCW 120, the time to reach the observed radius of the H ii region is reduced by a factor of 1.5). Under the common approximation of frozen dust, where there is no relative drift between the dust and gas, the radiation pressure from the ionizing star drives the formation of the very deep gas cavity near the star. Such a cavity is much less pronounced when the dust drift is taken into account. The dust drift leads to the two-peak morphology of the dust density distribution and significantly reduces the dust-to-gas ratio in the ionized region (by a factor of 2 to 10). The dust-to-gas ratio is larger for higher temperatures of the ionizing star since the dust grains have a larger electric charge and are more strongly coupled to the gas.

Protoplanetary disk mass is a key parameter controlling the process of planetary system formation. CO molecular emission is often used as a tracer of gas mass in the disk. In this study we consider the ability of CO to trace the gas mass over a wide range of disk structural parameters and search for chemical species that could possibly be used as alternative mass tracers to CO. Specifically, we apply detailed astrochemical modeling to a large set of models of protoplanetary disks around low-mass stars, to select molecules with abundances correlated with the disk mass and being relatively insensitive to other disk properties. We do not consider sophisticated dust evolution models, restricting ourselves with the standard astrochemical assumption of 0.1 µm dust. We find that CO is indeed the best molecular tracer for total gas mass, despite the fact that it is not the main carbon carrier, provided reasonable assumptions about CO abundance in the disk are used. Typically, chemical reprocessing lowers the abundance of CO by a factor of 3, compared to the case of photo-dissociation and freeze-out as the only ways of CO depletion. On average only 13% C-atoms reside in gas-phase CO, albeit with variations from 2 to 30%. CO 2 , H 2 O and H 2 CO can potentially serve as alternative mass tracers, the latter two being only applicable if disk structural parameters are known.

The FU Ori-type young stellar objects are characterized by a sudden increase in luminosity by 1-2 orders of magnitude, followed by slow return to the pre-outburst state on timescales of ∼10-100 yr. The outburst strongly affects the entire disk, changing its thermal structure and radiation field. In this paper, using a detailed physical-chemical model we study the impact of the FU Ori outburst on the disk chemical inventory. Our main goal is to identify gas-phase molecular tracers of the outburst activity that could be observed after the outburst with modern telescopes such as ALMA and NOEMA. We find that the majority of molecules experience a considerable increase in the total disk gas-phase abundances due to the outburst, mainly due to the sublimation of their ices. Their return to the pre-outburst chemical state takes different amounts of time, from nearly instantaneous to very long. Among the former ones we identify CO, NH 3 , C 2 H 6 , C 3 H 4 , etc. Their abundance evolution tightly follows the luminosity curve. For CO the abundance increase does not exceed an order of magnitude, while for other tracers the abundances increase by 2-5 orders of magnitude. Other molecules like H 2 CO and NH 2 OH have longer retention timescales, remaining in the gas phase for ∼ 10 − 10 3 yr after the end of the outburst. Thus H 2 CO could be used as an indicator of the previous outbursts in the post-outburst FU Ori systems. We investigate the corresponding time-dependent chemistry in detail and present the most favorable transitions and ALMA configurations for future observations.

We present a numerical tool Shiva designed to simulate the dust destruction in warm neutral, warm ionized, and hot ionized media under the influence of photo-processing, sputtering, and shattering. The tool is designed primarily to study the evolution of hydrogenated amorphous carbons (HACs), but options to simulate polycyclic aromatic hydrocarbons (PAHs), silicate and graphite grains are also implemented. HAC grain photo-processing includes both dehydrogenation and carbon atom loss. Dehydrogenation leads to material transformation from aliphatic to aromatic structure. Simultaneously, some other physical properties (band gap energy, optical properties, etc.) of the material change as well. The Shiva tool allows calculating the time-dependent evolution of the dust size distribution depending on hydrogen, helium, and carbon number densities and ionization state, gas temperature, radiation flux, relative gasdust and grain-grain velocities. For HAC grains the evolution of band gap energy distribution is also computed. We describe a dust evolution model, on which the tool relies, and present evolutionary time-scales for dust grains of different sizes depending on external conditions. This allows a user to estimate quickly a lifetime of a specific dust grain under relevant conditions. As an example of the tool usage, we demonstrate how grain properties and corresponding infrared spectra evolve in photo-dissociation regions, HII regions, and supernova remnant shocks.

Ionization-recombination balance in dense interstellar and circumstellar environments is a key factor for a variety of important physical processes, such as chemical reactions, dust charging and coagulation, coupling of the gas with magnetic field and development of instabilities in protoplanetary disks. We determine a critical gas density above which the recombination of electrons and ions on the grain surface dominates over the gas-phase recombination. For this regime, we present a self-consistent analytical model which allows us to exactly calculate abundances of charged species in dusty gas, without making assumptions on the grain charge distribution. To demonstrate the importance of the proposed approach, we check whether the conventional approximation of low grain charges is valid for typical protoplanetary disks, and discuss the implications for dust coagulation and development of the "dead zone" in the disk. The presented model is applicable for arbitrary grain-size distributions and, for given dust properties and conditions of the disk, has only one free parameter -the effective mass of the ions, shown to have a low effect on results. The model can be easily included in numerical simulations following the dust evolution in dense molecular clouds and protoplanetary disks.