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Register a new userA Simple and Accurate Network for Hydrogen and Carbon Chemistry in the ISM
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Chemistry plays an important role in the interstellar medium (ISM), regulating heating and cooling of the gas, and determining abundances of molecular species that trace gas properties in observations. Although solving the time-dependent equations is necessary for accurate abundances and temperature in the dynamic ISM, a full chemical network is too computationally expensive to incorporate in numerical simulations. In this paper, we propose a new simplified chemical network for hydrogen and carbon chemistry in the atomic and molecular ISM. We compare results from our chemical network in detail with results from a full photo-dissociation region (PDR) code, and also with the Nelson & Langer (1999) (NL99) network previously adopted in the simulation literature. We show that our chemical network gives similar results to the PDR code in the equilibrium abundances of all species over a wide range of densities, temperature, and metallicities, whereas the NL99 network shows significant disagreement. Applying our network in 1D models, we find that the $mathrm{CO}$-dominated regime delimits the coldest gas and that the corresponding temperature tracks the cosmic ray ionization rate in molecular clouds. We provide a simple fit for the locus of $mathrm{CO}$ dominated regions as a function of gas density and column. We also compare with observations of diffuse and translucent clouds. We find that the $mathrm{CO}$, $mathrm{CHx}$ and $mathrm{OHx}$ abundances are consistent with equilibrium predictions for densities $n=100-1000~mathrm{cm^{-3}}$, but the predicted equilibrium $mathrm{C}$ abundance is higher than observations, signaling the potential importance of non-equilibrium/dynamical effects.
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We searched for shocked carbon chain chemistry (SCCC) sources with C$_3$S abundances surpassing those of HC$_5$N towards the dark cloud L1251, using the Effelsberg telescope at K-band (18 -- 26,GHz). L1251-1 and L1251-3 are identified as the most promising SCCC sources. The two sources harbor young stellar objects. We conducted mapping observations towards L1251-A, the western tail of L1251, at $lambda$ $sim$3,mm with the PMO 13.7 m and the NRO 45 m telescopes in lines of C$_2$H, N$_2$H$^+$, CS, HCO$^+$, SO, HC$_3$N and C$^{18}$O as well as in CO 3--2 using the JCMT. The spectral data were combined with archival data including Spitzer and Herschel continuum maps for further analysis. Filamentary sub-structures labeled as F1 to F6 were extracted in L1251, with F1 being associated with L1251-A hosting L1251-1. The peak positions of dense gas traced by HCO$^+$ are misaligned relative to those of the dust clumps. Episodic outflows are common in this region. The twisted morphology of F1 and velocity distribution along L1251-A may originate from stellar feedback. SCCC in L1251-1 may have been caused by outflow activities originated from the infrared source IRS1. The signposts of ongoing SCCC and the broadened line widths of C$_3$S and C$_4$H in L1251-1 as well as the distribution of HC$_3$N are also related to outflow activities in this region. L1251-1 (IRS1) together with the previously identified SCCC source IRS3 demonstrate that L1251-A is an excellent region to study shocked carbon chain chemistry.
We have analyzed ALMA Cycle 5 data in Band 4 toward three low-mass young stellar objects (YSOs), IRAS 03235+3004 (hereafter IRAS 03235), IRAS 03245+3002 (IRAS 03245), and IRAS 03271+3013 (IRAS 03271), in the Perseus region. The HC$_{3}$N ($J=16-15$; $E_{rm {up}}/k = 59.4$ K) line has been detected in all of the target sources, while four CH$_{3}$OH lines ($E_{rm {up}}/k = 15.4-36.3$ K) have been detected only in IRAS 03245. Sizes of the HC$_{3}$N distributions ($sim 2930-3230$ au) in IRAS 03235 and IRAS 03245 are similar to those of the carbon-chain species in the warm carbon chain chemistry (WCCC) source L1527. The size of the CH$_{3}$OH emission in IRAS 03245 is $sim 1760$ au, which is slightly smaller than that of HC$_{3}$N in this source. We compare the CH$_{3}$OH/HC$_{3}$N abundance ratios observed in these sources with predictions of chemical models. We confirm that the observed ratio in IRAS 03245 agrees with the modeled values at temperatures around 30--35 K, which supports the HC$_{3}$N formation by the WCCC mechanism. In this temperature range, CH$_{3}$OH does not thermally desorb from dust grains. Non-thermal desorption mechanisms or gas-phase formation of CH$_{3}$OH seem to work efficiently around IRAS 03245. The fact that IRAS 03245 has the highest bolometric luminosity among the target sources seems to support these mechanisms, in particular the non-thermal desorption mechanisms.
High levels of deuterium fractionation in gas-phase molecules are usually associated with cold regions, such as prestellar cores. Significant fractionation ratios are also observed in hot environments such as hot cores or hot corinos, where they are believed to be produced by the evaporation of the icy mantles surrounding dust grains, and thus are remnants of a previous cold (either gas-phase or grain surface) chemistry. The recent detection of DCN towards the Orion Bar, in a clump at a characteristic temperature of 70K, has shown that high deuterium fractionation can also be detected in PDRs. The Orion Bar clumps thus appear as a good environment for the observational study of deuterium fractionation in luke-warm gas, allowing to validate chemistry models in a different temperature range, where dominating fractionation processes are predicted to be different than in cold gas (< 20K). We aimed at studying observationally in detail the chemistry at work in the Orion Bar PDR, to understand if DCN is produced by ice mantle evaporation, or is the result of warm gas-phase chemistry, involving the CH2D+ precursor ion (which survives higher temperatures than the usual H2D+ precursor). Using the APEX and the IRAM 30m telescopes, we targetted selected deuterated species towards two clumps in the Orion Bar. We confirmed the detection of DCN and detected two new deuterated molecules (DCO+ and HDCO) towards one clump in the Orion Bar PDR. Significant deuterium fractionations are found for HCN and H2CO, but a low fractionation in HCO+. We also give upper limits for other molecules relevant for the deuterium chemistry. (...) We show evidence that warm deuterium chemistry driven by CH2D+ is at work in the clumps.
Until now, axisymmetric, alpha-disc models have been adopted for calculations of the chemical composition of protoplanetary discs. While this approach is reasonable for many discs, it is not appropriate when self-gravity is important. In this case, spiral waves and shocks cause temperature and density variations that affect the chemistry. We have adopted a dynamical model of a solar-mass star surrounded by a massive (0.39 Msun), self-gravitating disc, similar to those that may be found around Class 0 and early Class I protostars, in a study of disc chemistry. We find that for each of a number of species, e.g. H2O, adsorption and desorption dominate the changes in the gas-phase fractional abundance; because the desorption rates are very sensitive to temperature, maps of the emissions from such species should reveal the locations of shocks of varying strengths. The gas-phase fractional abundances of some other species, e.g. CS, are also affected by gas-phase reactions, particularly in warm shocked regions. We conclude that the dynamics of massive discs have a strong impact on how they appear when imaged in the emission lines of various molecular species.
Chemical models used to study the chemical composition of the gas and the ices in the interstellar medium are based on a network of chemical reactions and associated rate coefficients. These reactions and rate coefficients are partially compiled from data in the literature, when available. We present in this paper kida.uva.2014, a new updated version of the kida.uva public gas-phase network first released in 2012. In addition to a description of the many specific updates, we illustrate changes in the predicted abundances of molecules for cold dense cloud conditions as compared with the results of the previous version of our network, kida.uva.2011.
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