Benzene formation in the inner regions of protostellar disks

Benzene (c-C6H6) formation in the inner 3 AU of a protostellar disk can be efficient, resulting in high abundances of benzene in the midplane region. The formation mechanism is different to that found in interstellar clouds and in protoplanetary nebulae, and proceeds mainly through the reaction between allene (C3H4) and its ion. This has implications for PAH formation, in that some fraction of PAHs seen in the solar system could be native rather than inherited from the interstellar medium.Comment: 9 pages, 2 colour figures, to be published in the Astrophysical Journal Letter

Deuterium chemistry in protoplanetary disks II The inner 30 AU

We present the results of models of the chemistry, including deuterium, in the inner regions of protostellar disks. We find good agreement with recent gas phase observations of several (non--deuterated) species. We also compare our results with observations of comets and find that in the absence of other processing e.g. in the accretion shock at the surface of the disk, or by mixing in the disk, the calculated D/H ratios in ices are higher than measured and reflect the D/H ratio set in the molecular cloud phase. Our models give quite different abundances and molecular distributions to other inner disk models because of the differences in physical conditions in the model disk. This emphasizes how changes in the assumptions about the density and temperature distribution can radically affect the results of chemical models.Comment: Accepted by Astrophysical Journa

The Influence of Deuteration and Turbulent Diffusion on the Observed D/H Ratio

The influence of turbulent mixing on the chemistry of the interstellar medium has so far received little attention. Previous studies of this effect have suggested that it might play an important role in mixing the various phases of the interstellar medium. In this paper we examine the potential effects of turbulent diffusion on the deuterium chemistry within molecular clouds. We find that such mixing acts to reduce the efficiency of deuteration in these clouds by increasing the ionization fraction and reducing freeze-out of heavy molecules. This leads to lower abundances for many deuterated species. We also examine the influence of turbulent mixing on the transition from atomic hydrogen to H2 and from atomic deuterium to HD near the cloud edge. We find that including turbulent diffusion in our models serves to push these transitions deeper into the cloud and helps maintain a higher atomic fraction throughout the cloud envelope. Based on these findings, we propose a new process to account for the significant scatter in the observed atomic D/H ratio for galactic sightlines extending beyond the Local Bubble. Although several mechanisms have been put forward to explain this scatter, they are unable to fully account for the range in D/H values. We suggest a scenario in which turbulent mixing of atomic and molecular gas at the edges of molecular clouds causes the observed atomic D/H ratio to vary by a factor of ~2.Comment: 14 pages, 14 figures, accepted for publication in Ap

The abundance of SiS in circumstellar envelopes around AGB stars

New SiS multi-transition (sub-)millimetre line observations of a sample of AGB stars with varying photospheric C/O-ratios and mass-loss rates are presented. A combination of low- and high-energy lines are important in constraining the circumstellar distribution of SiS molecules. A detailed radiative transfer modelling of the observed SiS line emission is performed, including the effect of thermal dust grains in the excitation analysis. We find that the circumstellar fractional abundance of SiS in these environments has a strong dependence on the photospheric C/O-ratio as expected from chemical models. The carbon stars (C/O>1) have a mean fractional abundance of 3.1E-6, about an order of magnitude higher than found for the M-type AGB stars (C/O<1) where the mean value is 2.7E-7. These numbers are in reasonable agreement with photospheric LTE chemical models. SiS appears to behave similar to SiO in terms of photodissociation in the outer part of the circumstellar envelope. In contrast to previous results for the related molecule SiO, there is no strong correlation of the fractional abundance with density in the CSE, as would be the case if freeze-out onto dust grains were important. However, possible time-variability of the line emission in the lower J transitions and the sensitivity of the line emission to abundance gradients in the inner part of the CSE may mask a correlation with the density of the wind. There are indications that the SiS fractional abundance could be significantly higher closer to the star which, at least in the case of M-type AGB stars, would require non-equilibrium chemical processes.Comment: Accepted for publication in A&A (14 pages, 7 figures

On the frequency of N2H+ and N2D+

Context : Dynamical studies of prestellar cores search for small velocity differences between different tracers. The highest radiation frequency precision is therefore required for each of these species. Aims : We want to adjust the frequency of the first three rotational transitions of N2H+ and N2D+ and extrapolate to the next three transitions. Methods : N2H+ and N2D+ are compared to NH3 the frequency of which is more accurately known and which has the advantage to be spatially coexistent with N2H+ and N2D+ in dark cloud cores. With lines among the narrowests, and N2H+ and NH3 emitting region among the largests, L183 is a good candidate to compare these species. Results : A correction of ~10 kHz for the N2H+ (J:1-0) transition has been found (~0.03 km/s) and similar corrections, from a few m/s up to ~0.05 km/s are reported for the other transitions (N2H+ J:3-2 and N2D+ J:1-0, J:2-1, and J:3-2) compared to previous astronomical determinations. Einstein spontaneous decay coefficients (Aul) are included

Chemistry in a gravitationally unstable protoplanetary disc

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.Comment: 10 figures and 3 tables, accepted for publication in MNRA

High Resolution 4.7 um Keck/NIRSPEC Spectra of Protostars. I: Ices and Infalling Gas in the Disk of L1489 IRS

We explore the infrared M band (4.7 um) spectrum of the class I protostar L1489 IRS in the Taurus Molecular Cloud. This is the highest resolution wide coverage spectrum at this wavelength of a low mass protostar observed to date (R=25,000; Dv=12 km/s). Many narrow absorption lines of gas phase 12CO, 13CO, and C18O are detected, as well as a prominent band of solid 12CO. The gas phase 12CO lines have red shifted absorption wings (up to 100 km/s), likely originating from warm disk material falling toward the central object. The isotopes and the 12CO line wings are successfully fitted with a contracting disk model of this evolutionary transitional object (Hogerheijde 2001). This shows that the inward motions seen in millimeter wave emission lines continue to within ~0.1 AU from the star. The colder parts of the disk are traced by the prominent CO ice band. The band profile results from CO in 'polar' ices (CO mixed with H2O), and CO in 'apolar' ices. At the high spectral resolution, the 'apolar' component is, for the first time, resolved into two distinct components, likely due to pure CO and CO mixed with CO2, O2 and/or N2. The ices have probably experienced thermal processing in the upper disk layer traced by our pencil absorption beam: much of the volatile 'apolar' ices has evaporated and the depletion factor of CO onto grains is remarkably low (~7%). This study shows that high spectral resolution 4.7 um observations provide important and unique information on the dynamics and structure of protostellar disks and the evolution of ices in these disks.Comment: 11 pages, 6 figures Scheduled to appear in ApJ 568 n2, 1 April 200

On the Ionisation Fraction in Protoplanetary Disks II: The Effect of Turbulent Mixing on Gas--phase Chemistry

We calculate the ionisation fraction in protostellar disk models using two different gas-phase chemical networks, and examine the effect of turbulent mixing by modelling the diffusion of chemical species vertically through the disk. The aim is to determine in which regions of the disk gas can couple to a magnetic field and sustain MHD turbulence. We find that the effect of diffusion depends crucially on the elemental abundance of heavy metals (magnesium) included in the chemical model. In the absence of heavy metals, diffusion has essentially no effect on the ionisation structure of the disks, as the recombination time scale is much shorter than the turbulent diffusion time scale. When metals are included with an elemental abundance above a threshold value, the diffusion can dramatically reduce the size of the magnetically decoupled region, or even remove it altogther. For a complex chemistry the elemental abundance of magnesium required to remove the dead zone is 10(-10) - 10(-8). We also find that diffusion can modify the reaction pathways, giving rise to dominant species when diffusion is switched on that are minor species when diffusion is absent. This suggests that there may be chemical signatures of diffusive mixing that could be used to indirectly detect turbulent activity in protoplanetary disks. We find examples of models in which the dead zone in the outer disk region is rendered deeper when diffusion is switched on. Overall these results suggest that global MHD turbulence in protoplanetary disks may be self-sustaining under favourable circumstances, as turbulent mixing can help maintain the ionisation fraction above that necessary to ensure good coupling between the gas and magnetic field.Comment: 11 pages, 7 figures; accepted for publication in A &

The distribution of H13CN in the circumstellar envelope around IRC+10216

H13CN J=8-7 sub-millimetre line emission produced in the circumstellar envelope around the extreme carbon star IRC+10216 has been imaged at sub-arcsecond angular resolution using the SMA. Supplemented by a detailed excitation analysis the average fractional abundance of H13CN in the inner wind (< 5E15 cm) is estimated to be about 4E-7, translating into a total HCN fractional abundance of 2E-5 using the isotopic ratio 12C/13C=50. Multi-transitional single-dish observations further requires the H13CN fractional abundance to remain more or less constant in the envelope out to a radius of about 4E16 cm, where the HCN molecules are effectively destroyed, most probably, by photodissociation. The large amount of HCN present in the inner wind provides effective line cooling that can dominate over that generated from CO line emission. It is also shown that great care needs to be taken in the radiative transfer modelling where non-local, and non-LTE, effects are important and where the radiation field from thermal dust grains plays a major role in exciting the HCN molecules. The amount of HCN present in the circumstellar envelope around IRC+10216 is consistent with predicted photospheric values based on equilibrium chemical models and indicates that any non-equilibrium chemistry occurring in the extended pulsating atmosphere has no drastic net effect on the fractional abundance of HCN molecules that enters the outer envelope. It further suggests that few HCN molecules are incorporated into dust grains.Comment: Accepted for publication in ApJ. 20 pages, 7 figure