The atmospheric parameters and chemical composition of early B-type giants in h and chi Persei

Atmospheric parameters and surface chemical compositions are presented for eight stars, classified as B1 or B2 but with a range of luminosity classes, in the northern double cluster h and chi Persei. Echelle spectroscopy (covering the wavelength region 3900 to 4700 Ä) and grating spectroscopy (of the Balmer, H? and Hß lines) were analysed using non-LTE synthetic spectra based on LTE line-blanketed atmosphere structures. High microturbulences are found in our sample, and this quantity must be included in the computation of the non-LTE level populations; its effect is generally to decrease the derived metal abundances by typically 0.1 dex but by up to 0.4 dex. Our absolute abundances are in reasonable agreement with those previously found for main sequence B-type stars, while we find some evidence for small abundance variations (particularly for nitrogen) within our sample. One star (BD+56 678) appears to be a spectrum variable and at two epochs shows a highly enriched nitrogen spectrum. Our atmospheric parameters imply that two stars have previously been mis-identified as main sequence objects and a distance modulus, at the higher end of the values previously deduced. The observational HR diagram is consistent with stellar evolutionary models that explicitly include the effects of rotation.

Galactic Edge Clouds I. Molecular Line Observations and Chemical Modelling of Edge Cloud 2

Edge Cloud 2 (EC2) is a molecular cloud, about 35 pc in size, with one of the largest galactocentric distances known to exist in the Milky Way. We present observations of a peak CO emission region in the cloud and use these to determine its physical characteristics. We calculate a gas temperature of 20 K and a density of n(H2)~10^4 cm-3. Based on our CO maps, we estimate the mass of EC2 at around 10^4 Msolar and continuum observations suggest a dust-to-gas mass ratio as low as 0.001. Chemical models have been developed to reproduce the abundances in EC2, and they indicate that heavy element abundances may be reduced by a factor of 5 relative to the solar neighborhood (similar to dwarf irregular galaxies and damped Lya systems), very low extinction (A_V <4 mag) due to a very low dust-to-gas mass ratio, an enhanced cosmic-ray ionization rate, and a higher UV field compared to local interstellar values. The reduced abundances may be attributed to the low level of star formation in this region and are probably also related to the continuing infall of primordial (or low-metallicity) halo gas since the Milky Way formed. Finally, we note that shocks from the old supernova remnant GSH 138-01-94 may have determined the morphology and dynamics of EC2.

Effects of Accretion Flow on the Chemical Structure in the Inner Regions of Protoplanetary Disks

Aims. We study the dependence of the profiles of molecular abundances and line emission on the accretion flow in the hot (100 K) inner region of protoplanetary disks.
Methods. The gas-phase reactions initiated by evaporation of the ice mantle on dust grains are calculated along the accretion flow. We focus on methanol, a molecule that is formed predominantly by the evaporation of warm ice mantles, to demonstrate how its abundance profile and line emission depend on the accretion flow.
Results. Our results indicate that some evaporated molecules retain high abundances only when the accretion velocity is sufficiently high, and that methanol could be useful as a diagnostic of the accretion flow by means of ALMA observations at the disk radius of 10 AU.

Differential physico-chemical tolerances of amphipod species revealed by field transplantations

Physico-chemical regimes of river systems are major determinants of the distributions and relative abundances of macroinvertebrate taxa. Other factors, however, such as biotic interactions, may co-vary with changes in physico-chemistry and concomitant changes in community composition. Thus, direct cause and effect relationships may not always be established from field surveys. Equally, however, laboratory studies may suffer from lack of realism in extrapolation to the field. Here, we use balanced field transplantation experiments to elucidate the role of physico-chemical regime in determining the generally mutually exclusive distributions of two amphipod taxa, Gammarus (two species) and Crangonyx pseudogracilis. Within two river systems in Ireland, the former species dominate stretches of well oxygenated, high-quality water, whereas the latter dominates stretches of poorly oxygenated, low-quality water. G. pulex and G. duebeni celticus did not survive in bioassay tubes in areas dominated by C. pseudogracilis, which itself survived in tubes in such areas. However, both C. pseudogracilis and Gammarus spp. survived equally well in tubes in areas dominated by Gammarus spp. Physicochemical regime thus limits the movement of Gammarus spp. into C. pseudogracilis areas, but some other factor excludes C. pseudogracilis from Gammarus spp. areas. Since previous laboratory experiments showed high predation rates of Gammarus spp. on C. pseudogracilis, we propose that predation by the former causes exclusion of the latter. Hence, presumed effects of physico-chemical regime on macroinvertebrate presence/abundance may often require experimental field testing and appreciation of alternative explanations.

Chemical Processes in Protoplanetary Disks

We have developed a high-resolution combined physical and chemical model of a protoplanetary disk surrounding a typical T Tauri star. Our aims were to use our model to calculate the chemical structure of disks on small scales (submilliarcsecond in the inner disk for objects at the distance of Taurus, ~140 pc) to investigate the various chemical processes thought to be important in disks and to determine potential molecular tracers of each process. Our gas-phase network was extracted from the UMIST Database for Astrochemistry to which we added gas–grain interactions including freezeout and thermal and non-thermal desorption (cosmic-ray-induced desorption, photodesorption, and X-ray desorption), and a grain-surface network. We find that cosmic-ray-induced desorption has the least effect on our disk chemical structure while photodesorption has a significant effect, enhancing the abundances of most gas-phase molecules throughout the disk and affecting the abundances and distribution of HCN, CN, and CS, in particular. In the outer disk, we also see enhancements in the abundances of H2O and CO2. X-ray desorption is a potentially powerful mechanism in disks, acting to homogenize the fractional abundances of gas-phase species across the depth and increasing the column densities of most molecules, although there remain significant uncertainties in the rates adopted for this process. The addition of grain-surface chemistry enhances the fractional abundances of several small complex organic molecules including CH3OH, HCOOCH3, and CH3OCH3 to potentially observable values (i.e., a fractional abundance of greater than 10-11).

Chemical evolution of protoplanetary disks - the effects of viscous accretion, turbulent mixing and disk winds

We calculate the chemical evolution of protoplanetary disks considering radial viscous accretion, vertical turbulent mixing, and vertical disk winds. We study the effects on the disk chemical structure when different models for the formation of molecular hydrogen on dust grains are adopted. Our gas-phase chemistry is extracted from the UMIST Database for Astrochemistry (Rate06) to which we have added detailed gas-grain interactions. We use our chemical model results to generate synthetic near- and mid-infrared local thermodynamic equilibrium line emission spectra and compare these with recent Spitzer observations. Our results show that if H2 formation on warm grains is taken into consideration, the H2O and OH abundances in the disk surface increase significantly. We find that the radial accretion flow strongly influences the molecular abundances, with those in the cold midplane layers particularly affected. On the other hand, we show that diffusive turbulent mixing affects the disk chemistry in the warm molecular layers, influencing the line emission from the disk and subsequently improving agreement with observations. We find that NH3, CH3OH, C2H2, and sulfur-containing species are greatly enhanced by the inclusion of turbulent mixing. We demonstrate that disk winds potentially affect the disk chemistry and the resulting molecular line emission in a manner similar to that found when mixing is included.

A 330-360 GHz spectral survey of G34.3+0.15 .2. Chemical modelling

We describe a detailed depth-and time-dependent model of the molecular cloud associated with the ultracompact H II region G 34.3+0.15. Previous work on observations of NH3 and CS indicates that the molecular cloud has three distinct physical components:- an ultracompact hot core, a compact hot core and an extended halo. We have used the physical parameters derived from these observations as input to our detailed chemical kinetic modelling. The results of the model calculations are discussed with reference to the different chemistries occuring in each component and are compared with abundances derived from our recent spectral line survey of G 34.3+0.15 (Paper I).

Molecular abundances in the magellanic clouds .1. A multiline study of five cloud cores

Nine H II regions of the LMC were mapped in (CO)-C-13(1-0) and three in (CO)-C-12(1-0) to study the physical properties of the interstellar medium in the Magellanic Clouds. For N113 the molecular core is found to have a peak position which differs from that of the associated H II region by 20 ''. Toward this molecular core the (CO)-C-12 and (CO)-C-13 peak T-MB line temperatures of 7.3 K and 1.2 K are the highest so far found in the Magellanic Clouds. The molecular concentrations associated with N113, N44BC, N159HW, and N214DE in the LMC and LIRS 36 in the SMC were investigated in a variety of molecular species to study the chemical properties of the interstellar medium. I(HCO+)/I(HCN) and I(HCN)/I(HNC) intensity ratios as well as lower limits to the I((CO)-C-13)/I((CO)-O-18) ratio were derived for the rotational 1-0 transitions. Generally, HCO+ is stronger than HCN, and HCN is stronger than HNC. The high relative HCO+ intensities are consistent with a high ionization flux from supernovae remnants and young stars, possibly coupled with a large extent of the HCO+ emission region. The bulk of the HCN arises from relatively compact dense cloud cores. Warm or shocked gas enhances HCN relative to HNC. From chemical model calculations it is predicted that I(HCN)/I(HNC) close to one should be obtained with higher angular resolution (less than or similar to 30 '') toward the cloud cores. Comparing virial masses with those obtained from the integrated CO intensity provides an H-2 mass-to-CO luminosity conversion factor of 1.8 x 10(20) mol cm(-2) (K km s(-1))(-1) for N113 and 2.4 x 10(20) mol cm(-2) (K km s(-1))(-1) for N44BC. This is consistent with values derived for the Galactic disk.

Chemical evolution in the circumstellar structure of B5 IRS1

The B5 dark cloud has been identified as a site of low-mass star formation. We report a survey of a selection of the molecular species modelled by the B5 dynamical and chemical model of Charnley et al. at the positions of circumstellar HCN clumps in B5 IRS1. All of the key species observed yield either abundances or upper limits to abundances below both the standard and the predicted values, appearing to show evidence of depletion and/or destruction if the transitions observed are thermalized. Our results are not in good agreement with the model, and they bring into question the interpretation of the structure of B5 IRS1 proposed by Fuller et al. It was expected that HCN clump C might exhibit a higher excitation than HCN clump A, since it appeared to be located within the blueshifted molecular outflow. However, there is no significant difference observed between the two clumps, suggesting that the near-infrared and optical nebulosity is evidence of a reflection nebula rather than shocked material in the outflow. Finally, it is observed that our results are more consistent with gas-grain models than with those models excluding gas-grain interaction.

A NEW CHEMICAL-MODEL OF THE CIRCUMSTELLAR ENVELOPE SURROUNDING IRC+10216

A new chemical model of the circumstellar envelope surrounding the carbon-rich star IRC+10216 has been developed. This model incorporates a variety of newly measured rapid neutral-neutral reactions between carbon atoms and hydrocarbons and between the radical CN and a variety of stable neutral molecules. In addition, other neutral-neutral reactions in the above two classes or involving atoms such as N or radicals such as C(2n)H have been included with large rate coefficients although they have not yet been studied in the laboratory. Unlike the interstellar case, where the inclusion of these neutral-neutral reactions destroys molecular complexity, our model results for IRC+10216 show that sufficient abundances of large hydrocarbon radicals and cyanpolyynes can be produced to explain observations. We also discuss the formation of H2CN and NH2CN, two potentially observable molecules in IRC+10216.

THE EFFECT OF RAPID NEUTRAL-NEUTRAL REACTIONS ON CHEMICAL-MODELS OF DENSE INTERSTELLAR CLOUDS

Recent experiments on rapid neutral-neutral reactions involving the radical CN at low temperature and the neutral C atom at room temperature suggest that atom-neutral and radical-neutral reactions may be generally more rapid at low temperature than hitherto thought. We have included a variety of rapid neutral-neutral reactions in our gas-phase chemical models of quiescent, dense interstellar clouds. We find the calculated abundances of many molecules to be greatly changed from previous values. In particular, the peak 'early-time' abundances of organic molecules are reduced.

Chemical processes in protoplanetary disks. II. On the importance of photochemistry and X-ray ionization

We investigate the impact of photochemistry and X-ray ionization on the molecular composition of, and ionization fraction in, a protoplanetary disk surrounding a typical T Tauri star. We use a sophisticated physical model, which includes a robust treatment of the radiative transfer of UV and X-ray radiation, and calculate the time-dependent chemical structure using a comprehensive chemical network. In previous work, we approximated the photochemistry and X-ray ionization; here, we recalculate the photoreaction rates using the explicit UV wavelength spectrum and wavelength-dependent reaction cross sections. We recalculate the X-ray ionization rate using our explicit elemental composition and X-ray energy spectrum. We find that photochemistry has a larger influence on the molecular composition than X-ray ionization. Observable molecules sensitive to the photorates include OH, HCO+, N2H+, H2O, CO2, and CH3OH. The only molecule significantly affected by the X-ray ionization is N2H+, indicating that it is safe to adopt existing approximations of the X-ray ionization rate in typical T Tauri star-disk systems. The recalculation of the photorates increases the abundances of neutral molecules in the outer disk, highlighting the importance of taking into account the shape of the UV spectrum in protoplanetary disks. A recalculation of the photoreaction rates also affects the gas-phase chemistry due to the adjustment of the H/H2 and C+/C ratios. The disk ionization fraction is not significantly affected by the methods adopted to calculate the photochemistry and X-ray ionization. We determine that there is a probable "dead zone" where accretion is suppressed, present in a layer, Z/R lsim 0.1-0.2, in the disk midplane, within R ˜ 200 AU.

The chemical composition of two supergiants in the dwarf irregular galaxy WLM

The chemical composition of two stars in WLM has been determined from high-quality Ultraviolet-Visual Echelle Spectrograph (UVES) data obtained at the VLT-UT2. The model atmospheres analysis shows that they have the same metallicity, [Fe/H] = - 0.38 +/- 0.20 (+/- 0.29). Reliable magnesium abundances are determined from several lines of two ionization states in both stars resulting in [Mg/Fe] = - 0.24 +/- 0.16 (+/- 0.28). This result suggests that the [alpha(Mg)/Fe] ratio in WLM may be suppressed relative to solar abundances ( also supported by differential abundances relative to similar stars in NGC 6822 and the Small Magellanic Cloud [SMC]). The absolute Mg abundance, [Mg/H] = -0.62, is high relative to what is expected from the nebulae though, where two independent spectroscopic analyses of the H II regions in WLM yield [O/H] = - 0.89. Intriguingly, the oxygen abundance determined from the O I lambda6158 feature in one WLM star is [O/H] = - 0.21 +/- 0.10 (+/- 0.05), corresponding to 5 times higher than the nebular oxygen abundance. This is the first time that a significant difference between stellar and nebular oxygen abundances has been found, and currently, there is no simple explanation for this difference. The two stars are massive supergiants with distances that clearly place them in WLM. They are young ( less than or equal to 10 Myr) and should have a similar composition to the ISM. Additionally, differential abundances suggest that the O/Fe ratio in the WLM star is consistent with similar stars in NGC 6822 and the SMC, galaxies where the average stellar oxygen abundances are in excellent agreement with the nebular results. If the stellar abundances reflect the true composition of WLM, then this galaxy lies well above the metallicity-luminosity relationship for dwarf irregular galaxies. It also suggests that WLM is more chemically evolved than currently interpreted from its color-magnitude diagram. The similarities between the stars in WLM and NGC 6822 suggest that these two galaxies may have had similar star formation histories.

First stellar abundances in NGC 6822 from VLT-UVES and Keck-Hires spectroscopy

We have obtained the first high-resolution spectra of individual stars in the dwarf irregular galaxy NGC 6822. The spectra of the two A-type supergiants were obtained at the Very Large Telescope and Keck Observatories, using the Ultraviolet-Visual Echelle Spectrograph and the High Resolution Echelle Spectrometer, respectively. A detailed model atmospheres analysis has been used to determine their atmospheric parameters and elemental abundances. The mean iron abundance from these two stars is [[Fe/H]] = -0.49 +/- 0.22 (+/- 0.21),(6) with Cr yielding a similar underabundance, [[Cr/H]] = -0.50 +/- 0.20 (+/- 0.16). This confirms that NGC 6822 has a metallicity that is slightly higher than that of the SMC and is the first determination of the present-day iron group abundances in NGC 6822. The mean stellar oxygen abundance, 12 + log (O/H) = 8.36 +/- 0.19 (+/- 0.21), is in good agreement with the nebular oxygen results. Oxygen has the same underabundance as iron, [[O/ Fe]] = + 0.02 +/- 0.20 (+/- 0.21). This O/Fe ratio is very similar to that seen in the Magellanic Clouds, which supports the picture that chemical evolution occurs more slowly in these lower mass galaxies, although the O/Fe ratio is also consistent with that observed in comparatively metal-poor stars in the Galactic disk. Combining all of the available abundance observations for NGC 6822 shows that there is no trend in abundance with galactocentric distance. However, a subset of the highest quality data is consistent with a radial abundance gradient. More high-quality stellar and nebular observations are needed to confirm this intriguing possibility.

The chemical composition towards the galactic anti-centre .2. Differential abundance analyses and distance determinations

In a previous paper we have published observational data for 6 early B-type stars having, galactocentric distances of between 10 and 18 kpc. Using LTE line-blanketed model at mosphere techniques we derived their atmospheric parameters, finding that all our targets had similar effective temperatures and surface gravities. In the following study we additionally include two stars which have been presented previously (Rolleston et al. 1993) and found also to have compatible atmospheric parameters to the original programme stars. The homogeneity of this sample allows quantitative line-by-line differential abundance analyses to be carried out which should reliably detect variations in the chemical compositions of the stellar photospheres. We present differential abundances for eight stars, in either young open clusters or the field, with respect to an arbitrarily chosen standard which shows a normal abundance pattern. Our method of calculating distances from the derived atmospheric parameters means that the relative distance scale should be accurate.