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Register a new userChemistry of TMC-1 with multiply deuterated species and spin chemistry of H2, H2+, H3+ and their isotopologues
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Deuterated species are unique and powerful tools in astronomy since they can probe the physical conditions, chemistry, and ionization level of various astrophysical media. Recent observations of several deuterated species along with some of their spin isomeric forms have rekindled the interest for more accurate studies on deuterium fractionation. This paper presents the first publicly available chemical network of multiply deuterated species along with spin chemistry implemented on the latest state-of-the-art gas-grain chemical code `NAUTILUS. D/H ratios for all deuterated species observed at different positions of TMC-1 are compared with the results of our model, which considers multiply deuterated species along with the spin chemistry of light hydrogen bearing species H2, H2+, H3+ and their isotopologues. We also show the differences in the modeled abundances of non-deuterated species after the inclusion of deuteration and spin chemistry in the model. Finally, we present a list of potentially observable deuterated species in TMC-1 awaiting detection.
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Molecular hydrogen (H2) is the main constituent of the gas in the planet-forming disks that surround many PMS stars. H2 can be incorporated in the atmosphere of the giant planets. HD has been detected in a few disks and can be considered the most reliable tracer of H2. We wish to form H2 and HD efficiently for the varied conditions encountered in protoplanetary disks: the densities vary from 1E4 to 1E16 cm^-3; the dust temperatures range from 5 to 1500 K, the gas temperatures go from 5 to a few 1000 Kelvin, and the ultraviolet field can be 1E7 stronger than the standard interstellar field. We implemented a comprehensive model of H2 and HD formation on cold and warm grain surfaces and via hydrogenated PAHs in the physico-chemical code ProDiMo. The H2 and HD formation can proceed via the Langmuir-Hinshelwood and Eley-Ridel mechanisms for physisorbed or chemisorbed H (D) atoms. H2 and HD also form by H (D) abstraction from hydrogenated neutral and ionised PAHs and via gas phase reactions. H2 and HD are formed efficiently on dust grain surfaces from 10 to 700 K. All the deuterium is converted into HD in UV shielded regions as soon as H2 is formed by gas-phase D abstraction reactions. The detailed model compares well with standard analytical prescriptions for H2 (HD) formation. At low temperatures, H2 is formed from the encounter of two physisorbed atoms. HD molecules form on the grain surfaces and in the gas-phase. At temperatures greater than 20 K, the meeting between a weakly bound H- (or D-) atom or a gas-phase H (D) atom and a chemisorbed atom is the most efficient H2 formation route. H2 formation through hydrogenated PAHs alone is efficient above 80 K. The contribution of hydrogenated PAHs to the overall H2 and HD formation is relatively low if chemisorption on silicate is taken into account and if a small hydrogen abstraction cross-section is used.
Using the Yebes 40m and IRAM 30m radio telescopes, we detected a series of harmonically related lines with a rotational constant B0=4460.590 +/- 0.001 MHz and a distortion constant D0=0.511 +/- 0.005 kHz towards the cold dense core TMC-1. High-level-of-theory ab initio calculations indicate that the best possible candidate is protonated tricarbon monoxide, HC3O+. We have succeeded in producing this species in the laboratory and observed its J = 2-1 and 3-2 rotational transitions. Hence, we report the discovery of HC3O+ in space based on our observations, theoretical calculations, and laboratory experiments. We derive an abundance ratio N(C3O)/N(HC3O+) = 7. The high abundance of the protonated form of C3O is due to the high proton affinity of the neutral species. The chemistry of O-bearing species is modelled, and predictions are compared to the derived abundances from our data for the most prominent O-bearing species in TMC-1.
The chemistry in the diffuse interstellar medium initiates the gradual increase of molecular complexity during the life cycle of matter. A key molecule that enables build-up of new molecular bonds and new molecules via proton-donation is H3+. Its evolution is tightly related to molecular hydrogen and thought to be well understood. However, recent observations of ortho and para lines of H2 and H3+ in the diffuse ISM showed a puzzling discrepancy in nuclear spin excitation temperatures and populations between these two key species. H3+, unlike H2, seems to be out of thermal equilibrium, contrary to the predictions of modern astrochemical models. We conduct the first time-dependent modeling of the para-fractions of H2 and H3+ in the diffuse ISM and compare our results to a set of line-of-sight observations, including new measurements presented in this study. We isolate a set of key reactions for H3+ and find that the destruction of the lowest rotational states of H3+ by dissociative recombination largely control its ortho/para ratio. A plausible agreement with observations cannot be achieved unless a ratio larger than 1:5 for the destruction of (1,1)- and (1,0)-states of H3+ is assumed. Additionally, an increased CR ionization rate to 10(-15) 1/s further improves the fit whereas variations of other individual physical parameters, such as density and chemical age, have only a minor effect on the predicted ortho/para ratios. Thus our study calls for new laboratory measurements of the dissociative recombination rate and branching ratio of the key ion H3+ under interstellar conditions.
In this study, we present and validate a variation of recently-developed physically motivated sub-grid prescriptions for supernova feedback that account for the unresolved energy-conserving phase of the bubble expansion. Our model builds upon the implementation publicly available in the mesh-less hydrodynamic code GIZMO, and is coupled with the chemistry library KROME. Here, we test it against different setups, to address how it affects the formation/dissociation of molecular hydrogen (H$_2$). First, we explore very idealised conditions, to show that it can accurately reproduce the terminal momentum of the blast-wave independent of resolution. Then, we apply it to a suite of numerical simulations of an isolated Milky Way-like galaxy and compare it with a similar run employing the delayed-cooling sub-grid prescription. We find that the delayed-cooling model, by pressurising ad-hoc the gas, is more effective in suppressing star formation. However, to get this effect, it must maintain the gas warm/hot at densities where it is expected to cool efficiently, artificially changing the thermo-chemical state of the gas, and reducing the H$_2$ abundance even in dense gas. Mechanical feedback, on the other hand, is able to reproduce the H$_2$ column densities without altering the gas thermodynamics, and, at the same time, drives more powerful outflows. However, being less effective in suppressing star formation, it over-predicts the Kennicutt-Schmidt relation by a factor of about 2.5. Finally, we show that the model is consistent at different resolution levels, with only mild differences.
We present first results of neutral carbon ([CI], 3P1 - 3P0 at 492 GHz) and carbon monoxide (13CO, J = 1 - 0) mapping in the Vela Molecular Ridge cloud C (VMR-C) and G333 giant molecular cloud complexes with the NANTEN2 and Mopra telescopes. For the four regions mapped in this work, we find that [CI] has very similar spectral emission profiles to 13CO, with comparable line widths. We find that [CI] has opacity of 0.1 - 1.3 across the mapped region while the [CI]/13CO peak brightness temperature ratio is between 0.2 to 0.8. The [CI] column density is an order of magnitude lower than that of 13CO. The H2 column density derived from [CI] is comparable to values obtained from 12CO. Our maps show CI is preferentially detected in gas with low temperatures (below 20 K), which possibly explains the comparable H2 column density calculated from both tracers (both CI and 12CO underestimate column density), as a significant amount of the CI in the warmer gas is likely in the higher energy state transition ([CI], 3P2 - 3P1 at 810 GHz), and thus it is likely that observations of both the above [CI] transitions are needed in order to recover the total H2 column density.
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