arXiv subjects

Dmitry Semenov

Publications and source records attributed to Dmitry Semenov.

At least 37 records · Page 2Linked to original sources

arXiv2021

Chemical modeling of the complex organic molecules in the extended region around Sagittarius B2

The chemical differentiation of seven COMs in the extended region around Sgr B2 has been observed: CH$_2$OHCHO, CH$_3$OCHO, t-HCOOH, C$_2$H$_5$OH, and CH$_3$NH$_2$ were detected both in the extended region and near the hot cores Sgr B2(N) and Sgr B2(M), while CH$_3$OCH$_3$ and C$_2$H$_5$CN were only detected near the hot cores. The density and temperature in the extended region are relatively low. Different desorption mechanisms have been proposed to explain the observed COMs in cold regions but fail to explain the deficiency of CH$_3$OCH$_3$ and C$_2$H$_5$CN. We explored under what physical conditions the chemical simulations can fit the observations and explain the different spatial distribution of these species. We used the Monte Carlo method to perform a detailed parameter space study. We investigated how different mechanisms affect the results. All gas-grain chemical models based on static physics cannot fit the observations. The results based on evolving physical conditions can fit six COMs when $T\sim30-60$ K, but the best-fit temperature is still higher than the observed dust temperature of 20 K. The best agreement at $T\sim27$ K is achieved by considering a short-duration $\sim 10^2$ yr X-ray burst with $ζ_{\mathrm{CR}}=1.3\times10^{-13}$ s$^{-1}$ when the temperature is 20 K. The reactive desorption is the key mechanism for producing these COMs and inducing the low abundances of CH$_3$OCH$_3$ and C$_2$H$_5$CN. The evolution of the extended region around Sgr~B2 may have begun with a cold, $T\le10$ K phase followed by a warm-up phase. When its temperature reached $T\sim20$ K, an X-ray flare from Sgr A* with a short duration of no more than 100 years was acquired, affecting strongly the Sgr B2 chemistry. The observed COMs retain their observed abundances only several hundred years after such a flare, which could imply that such short-term X-ray flares occur relatively often.

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arXiv2020

Sensitivity of gas-grain chemical models to surface reaction barriers: Effect from a key carbon-insertion reaction, C + H$_2$ $\rightarrow$ CH$_2$

The feasibility of contemporary gas-grain astrochemical models depends on the availability of accurate kinetics data, in particular, for surface processes. We study the sensitivity of gas-grain chemical models to the energy barrier Ea of the important surface reaction between some of the most abundant species: C and H2 (surface C + surface H2 = surface CH2). We used the gas-grain code ALCHEMIC to model the time-dependent chemical evolution over a 2D grid of densities (nH: 10^{3} - 10^{12}cm^{-3}) and temperatures (T: 10 - 300 K), assuming UV-dark (Av = 20 mag) and partly UV-irradiated (Av = 3 mag) conditions that are typical of the dense interstellar medium. We considered two values for the energy barrier of the surface reaction, Ea = 2500 K (as originally implemented in the networks) and Ea = 0 K (as measured in the laboratory and computed by quantum chemistry simulations). We find that if the C + H2 = CH2 surface reaction is barrierless, a more rapid conversion of the surface carbon atoms into methane ice occurs. Overproduction of the CHn hydrocarbon ices affects the surface formation of more complex hydrocarbons, cyanides and nitriles, and CS-bearing species at low temperatures < 10-15 K. The surface hydrogenation of CO and hence the synthesis of complex (organic) molecules become affected as well. As a result, important species whose abundances may change by more than a factor of two at 1 Myr include atomic carbon, small mono-carbonic (C1) and di-carbonic (C2) hydrocarbons, CO2, CN, HCN, HNC, HNCO, CS, H2CO, H2CS, CH2CO, and CH3OH (in either gas and/or ice). The abundances of key species, CO, H2O, and N2 as well as O, HCO+, N2H+, NH3, NO, and most of the S-bearing molecules, remain almost unaffected. Further accurate laboratory measurements and quantum chemical calculations of the surface reaction barriers will be crucial to improve the accuracy of astrochemical models.

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arXiv2020

Chemical modelling of FU Ori protoplanetary disks

Luminosity outbursts of the FUOri type stars, which have a magnitude of $\sim100 L_{\odot}$ and last for decades, may affect chemical composition of the surrounding protoplanetary disk. Using astrochemical modeling we analyze the changes induced by the outburst and search for species sensitive to the luminosity rise. Some changes in the disk molecular composition appear not only during the outburst itself but can also retain for decades after the end of the outburst. We analyze main chemical processes responsible for these effects and assess timescales at which chemically inert species return to the pre-outburst abundances.

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arXiv2018

Gas density perturbations induced by forming planet(s) in the AS 209 protoplanetary disk as seen with ALMA

The formation of planets occurs within protoplanetary disks surrounding young stars, resulting in perturbation of the gas and dust surface densities. Here, we report the first evidence of spatially resolved gas surface density ($Σ_{g}$) perturbation towards the AS~209 protoplanetary disk from the optically thin C$^{18}$O ($J=2-1$) emission. The observations were carried out at 1.3~mm with ALMA at a spatial resolution of about 0.3$\arcsec$ $\times$ 0.2$\arcsec$ (corresponding to $\sim$ 38 $\times$ 25 au). The C$^{18}$O emission shows a compact ($\le$60~au), centrally peaked emission and an outer ring peaking at 140~au, consistent with that observed in the continuum emission and, its azimuthally averaged radial intensity profile presents a deficit that is spatially coincident with the previously reported dust map. This deficit can only be reproduced with our physico-thermochemical disk model by lowering $Σ_{gas}$ by nearly an order of magnitude in the dust gaps. Another salient result is that contrary to C$^{18}$O, the DCO$^{+}$ ($J=3-2$) emission peaks between the two dust gaps. We infer that the best scenario to explain our observations (C$^{18}$O deficit and DCO$^{+}$ enhancement) is a gas perturbation due to forming-planet(s), that is commensurate with previous continuum observations of the source along with hydrodynamical simulations. Our findings confirm that the previously observed dust gaps are very likely due to perturbation of the gas surface density that is induced by a planet of at least 0.2~M$\rm_{Jupiter}$ in formation. Finally, our observations also show the potential of using CO isotopologues to probe the presence of saturn mass planet(s).

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arXiv2018

Chemical Signatures of the FU Ori Outbursts

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 $\sim$10$-$100 yr. The outburst strongly affects the entire disk, changing its thermal structure and radiation field. In this paper, using a detailed physical-chemical model we study the impact of the FU Ori outburst on the disk chemical inventory. Our main goal is to identify gas-phase molecular tracers of the outburst activity that could be observed after the outburst with modern telescopes such as ALMA and NOEMA. We find that the majority of molecules experience a considerable increase in the total disk gas-phase abundances due to the outburst, mainly due to the sublimation of their ices. Their return to the pre-outburst chemical state takes different amounts of time, from nearly instantaneous to very long. Among the former ones we identify CO, NH$_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 $\sim10-10^3$ 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.

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arXiv2018

First Detection of the Simplest Organic Acid in a Protoplanetary Disk

The formation of asteroids, comets and planets occurs in the interior of protoplanetary disks during the early phase of star formation. Consequently, the chemical composition of the disk might shape the properties of the emerging planetary system. In this context, it is crucial to understand whether and what organic molecules are synthesized in the disk. In this Letter, we report the first detection of formic acid (HCOOH) towards the TW Hydrae protoplanetary disk. The observations of the trans-HCOOH 6$_{(1,6)-5(1,5)}$ transition were carried out at 129~GHz with ALMA. We measured a disk-averaged gas-phase t-HCOOH column density of $\sim$ (2-4)$\times$10$^{12}$~cm$^{-2}$, namely as large as that of methanol. HCOOH is the first organic molecules containing two oxygen atoms detected in a protoplanetary disk, a proof that organic chemistry is very active even though difficult to observe in these objects. Specifically, this simplest acid stands as the basis for synthesis of more complex carboxylic acids used by life on Earth.

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arXiv2017

Gas mass tracers in protoplanetary disks: CO is still the best

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 $0.1~μ$m 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.

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arXiv2016

Measuring Turbulence in TW Hya with ALMA: Methods and Limitations

We obtain high spatial and spectral resolution images of the CO J=2-1, CN N=2-1 and CS J=5-4 emission with ALMA in Cycle~2. The radial distribution of the turbulent broadening is derived with three approaches: two `direct' and one modelling. The first requires a single transition and derives \Tex{} directly from the line profile, yielding a \vturb{}. The second assumes two different molecules are co-spatial thus their relative linewidths allow for a calculation of \Tkin{} and \vturb{}. Finally we fit a parametric disk model where physical properties of the disk are described by power laws, to compare our `direct' methods with previous values. The two direct methods were limited to the outer $r > 40$~au disk due to beam smear. The direct method found \vturb{} ranging from $\approx$~\vel{130} at 40~au, dropping to $\approx$~\vel{50} in the outer disk, qualitatively recovered with the parametric model fitting. This corresponds to roughly $0.2 - 0.4~c_s$. CN was found to exhibit strong non-LTE effects outside $r \approx 140$~au, so \vturb{} was limited to within this radius. The assumption that CN and CS are co-spatial is consistent with observed linewidths only within $r \lesssim 100$~au, within which \vturb{} was found to drop from \vel{100} ($\approx~0.4~c_s$) to nothing at 100~au. The parametric model yielded a near constant \vel{50} for CS ($0.2 - 0.4~c_s$). We demonstrate that absolute flux calibration is and will be the limiting factor in all studies of turbulence using a single molecule. The magnitude of the dispersion is comparable with or below that predicted by the magneto-rotational instability theory. A more precise comparison would require to reach an absolute calibration precision of order 3\%, or to find a suitable combination of light and heavy molecules which are co-located in the disk.

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arXiv2015

Chemistry in Disks. IX. Observations and modeling of HCO+ and DCO+ in DM Tau

We present resolved Plateau de Bure Array observations of DM Tau in lines of HCO+ (3-2), (1-0) and DCO+ (3-2). A power-law fitting approach allowed a derivation of column densities of these two molecules. A chemical inner hole of ~50 AU was found in both HCO+ and DCO+ with DCO+ emission extending to only 450 AU. An isotopic ratio of R_D = N(DCO+) / N(HCO+) was found to range from 0.1 at 50 AU and 0.2 at 450 AU. Chemical modeling allowed an exploration of the sensitivity of these molecular abundances to physical parameters out with temperature, finding that X-rays were the domination ionization source in the HCO+ molecular region and that R_D also is sensitive to the CO depletion. The ionization fraction, assuming a steady state system, was found to be x(e-) ~ 10$^{-7}$. Modeling suggests that HCO+ is the dominant charged molecule in the disk but its contribution to ionization fraction is dwarfed by atmoic ions such as C+, S+ and H+.

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arXiv2014

Deuterium Fractionation: the Ariadne's Thread from the Pre-collapse Phase to Meteorites and Comets today

The Solar System formed about 4.6 billion years ago from a condensation of matter inside a molecular cloud. Trying to reconstruct what happened is the goal of this chapter. For that, we put together our understanding of Galactic objects that will eventually form new suns and planetary systems, with our knowledge on comets, meteorites and small bodies of the Solar System today. Our specific tool is the molecular deuteration, namely the amount of deuterium with respect to hydrogen in molecules. This is the Ariadne's thread that helps us to find the way out from a labyrinth of possible histories of our Solar System. The chapter reviews the observations and theories of the deuterium fractionation in pre-stellar cores, protostars, protoplanetary disks, comets, interplanetary dust particles and meteorites and links them together trying to build up a coherent picture of the history of the Solar System formation. We emphasise the interdisciplinary nature of the chapter, which gathers together researchers from different communities with the common goal of understanding the Solar System history.

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arXiv2014

Physical and chemical structure of planet-forming disks probed by millimeter observations and modeling

Protoplanetary disks composed of dust and gas are ubiquitous around young stars and are commonly recognized as nurseries of planetary systems. Their lifetime, appearance, and structure are determined by an interplay between stellar radiation, gravity, thermal pressure, magnetic field, gas viscosity, turbulence, and rotation. Molecules and dust serve as major heating and cooling agents in disks. Dust grains dominate the disk opacities, reprocess most of the stellar radiation, and shield molecules from ionizing UV/X-ray photons. Disks also dynamically evolve by building up planetary systems which drastically change their gas and dust density structures. Over the past decade significant progress has been achieved in our understanding of disk chemical composition thanks to the upgrade or advent of new millimeter/Infrared facilities (SMA, PdBI, CARMA, Herschel, e-VLA, ALMA). Some major breakthroughs in our comprehension of the disk physics and chemistry have been done since PPV. This review will present and discuss the impact of such improvements on our understanding of the disk physical structure and chemical composition.

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arXiv2013

Chemistry in Protoplanetary Disks

This comprehensive review summarizes our current understanding of the evolution of gas, solids and molecular ices in protoplanetary disks. Key findings related to disk physics and chemistry, both observationally and theoretically, are highlighted. We discuss which molecular probes are used to derive gas temperature, density, ionization state, kinematics, deuterium fractionation, and study organic matter in protoplanetary disks.

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arXiv2011

CID: Chemistry in disks VI.sulfur-bearing molecules in the protoplanetary disks surrounding LkCa15, MWC480, DM Tau, and GO Tau

We study the content in S-bearing molecules of protoplanetary disks around low-mass stars. We used the new IRAM 30-m receiver EMIR to perform simultaneous observations of the $1_{10}-1_{01}$ line of H$_2$S at 168.8 GHz and $2_{23}-1_{12}$ line of SO at 99.3 GHz. We compared the observational results with predictions coming from the astrochemical code NAUTILUS, which has been adapted to protoplanetary disks. The data were analyzed together with existing CS J=3-2 observations. We fail to detect the SO and H$_2$S lines, although CS is detected in LkCa15, DM\,Tau, and GO\,Tau but not in MWC\,480. However, our new upper limits are significantly better than previous ones and allow us to put some interesting constraints on the sulfur chemistry. Our best modeling of disks is obtained for a C/O ratio of 1.2, starting from initial cloud conditions of H density of $2\times 10^5$ cm$^{-3}$ and age of $10^6$ yr. The results agree with the CS data and are compatible with the SO upper limits, but fail to reproduce the H$_2$S upper limits. The predicted H$_2$S column densities are too high by at least one order of magnitude. H$_2$S may remain locked onto grain surfaces and react with other species, thereby preventing the desorption of H$_2$S.

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arXiv2010

Chemistry in Protoplanetary Disks

Protoplanetary disks (PPDs) surrounding young stars are short-lived (~0.3-10 Myr), compact (~10-1000 AU) rotating reservoirs of gas and dust. PPDs are believed to be birthplaces of planetary systems, where tiny grains are assembled into pebbles, then rocks, planetesimals, and eventually planets, asteroids, and comets. Strong variations of physical conditions (temperature, density, ionization rate, UV/X-rays intensities) make a variety of chemical processes active in disks, producing simple molecules in the gas phase and complex polyatomic (organic) species on the surfaces of dust particles. In this entry, we summarize the major modern observational methods and theoretical paradigms used to investigate disk chemical composition and evolution, and present the most important results. Future research directions that will become possible with the advent of the Atacama Large Millimeter Array (ALMA) and other forthcoming observational facilities are also discussed.

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arXiv2010

Chemistry of a protoplanetary disk with grain settling and Lyman alpha radiation

We present results from a model of the chemical evolution of protoplanetary disks. In our models we directly calculate the changing propagation and penetration of a high energy radiation field with Lyman alpha radiation included. We also explore the effect on our models of including dust grain settling. We find that, in agreement with earlier studies, the evolution of dust grains plays a large role in determining how deep the UV radiation penetrates into the disk. Significant grain settling at the midplane leads to much smaller freeze-out regions and a correspondingly larger molecular layer, which leads to an increase in column density for molecular species such as CO, CN and SO. The inclusion of Lyman alpha radiation impacts the disk chemistry through specific species that have large photodissociation cross sections at 1216 A. These include HCN, NH3 and CH4, for which the column densities are decreased by an order of magnitude or more due to the presence of Lyman alpha radiation in the UV spectrum. A few species, such as CO2 and SO, are enhanced by the presence of Lyman alpha radiation, but rarely by more than a factor of a few.

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arXiv2008

Chemistry in Disks. II. -- Poor molecular content of the AB Aur disk

We study the molecular content and chemistry of a circumstellar disk surrounding the Herbig Ae star AB Aur at (sub-)millimeter wavelengths. Our aim is to reconstruct the chemical history and composition of the AB Aur disk and to compare it with disks around low-mass, cooler T Tauri stars. We observe the AB Aur disk with the IRAM Plateau de Bure Interferometer in the C- and D- configurations in rotational lines of CS, HCN, C2H, CH3OH, HCO+, and CO isotopes. Using an iterative minimization technique, observed columns densities and abundances are derived. These values are further compared with results of an advanced chemical model that is based on a steady-state flared disk structure with a vertical temperature gradient, and gas-grain chemical network with surface reactions. We firmly detect HCO+ in the 1--0 transition, tentatively detect HCN, and do not detect CS, C2H, and CH3OH. The observed HCO+ and 13CO column densities as well as the upper limits to the column densities of HCN, CS, C2H, and CH3OH are in good agreement with modeling results and those from previous studies. The AB Aur disk possesses more CO, but is less abundant in other molecular species compared to the DM Tau disk. This is primarily caused by intense UV irradiation from the central Herbig A0 star, which results in a hotter disk where CO freeze out does not occur and thus surface formation of complex CO-bearing molecules might be inhibited.

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arXiv2008

The birth and death of organic molecules in protoplanetary disks

The most intriguing question related to the chemical evolution of protoplanetary disks is the genesis of pre-biotic organic molecules in the planet-forming zone. In this contribution we briefly review current observational knowledge of physical structure and chemical composition of disks and discuss whether organic molecules can be present in large amounts at the verge of planet formation. We predict that some molecules, including CO-bearing species such as H$_2$CO, can be underabundant in inner regions of accreting protoplanetary disks around low-mass stars due to the high-energy stellar radiation and chemical processing on dust grain surfaces. These theoretical predictions are further compared with high-resolution observational data and the limitations of current models are discussed.

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arXiv2006

Chemistry in disks I - Deep search for N$_2$H$^+$ in the protoplanetary disks around LkCa 15, MWC 480, and DM Tau

Aims: To constrain the ionization fraction in protoplanetary disks, we present new high-sensitivity interferometric observations of N$_2$H$^+$ in three disks surrounding DM Tau, LkCa 15, and MWC 480. Methods: We used the IRAM PdBI array to observe the N$_2$H$^+$ J=1-0 line and applied a $χ^2$-minimization technique to estimate corresponding column densities. These values are compared, together with HCO$^+$ column densities, to results of a steady-state disk model with a vertical temperature gradient coupled to gas-grain chemistry. Results: We report two \ndhp detections for LkCa 15 and DM Tau at the $5 σ$ level and an upper limit for MWC 480. The column density derived from the data for LkCa 15 is much lower than previously reported. The [N$_2$H$^+$/HCO$^+$] ratio is on the order of 0.02--0.03. So far, HCO$^+$ remains the most abundant observed molecular ion in disks. Conclusions: All the observed values generally agree with the modelled column densities of disks at an evolutionary stage of a few million years (within the uncertainty limits), but the radial distribution of the molecules is not reproduced well. The low inferred concentration of N$_2$H$^+$ in three disks around low-mass and intermediate-mass young stars implies that this ion is not a sensitive tracer of the overall disk ionization fraction.

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