We upgraded the chemical network from the UMIST Database for Astrochemistry 2006 to include isotopes such as ^{13}C and ^{18}O. This includes all corresponding isotopologues, their chemical reactions and the properly scaled reaction rate coefficients
. We study the fractionation behavior of astrochemically relevant species over a wide range of model parameters, relevant for modelling of photo-dissociation regions (PDRs). We separately analyze the fractionation of the local abundances, fractionation of the total column densities, and fractionation visible in the emission line ratios. We find that strong C^+ fractionation is possible in cool C^+ gas. Optical thickness as well as excitation effects produce intensity ratios between 40 and 400. The fractionation of CO in PDRs is significantly different from the diffuse interstellar medium. PDR model results never show a fractionation ratio of the CO column density larger than the elemental ratio. Isotope-selective photo-dissociation is always dominated by the isotope-selective chemistry in dense PDR gas. The fractionation of C, CH, CH^+, and HCO^+ is studied in detail, showing that the fractionation of C, CH and CH^+ is dominated by the fractionation of their parental species. The light hydrides chemically derive from C^+, and, consequently, their fractionation state is coupled to that of C^+. The fractionation of C is a mixed case depending on whether formation from CO or HCO^+ dominates. Ratios of the emission lines of [C II], [C I], ^{13}CO, and H^{13}CO^+ provide individual diagnostics to the fractionation status of C^+, C, and CO.
We revised the treatment of interstellar dust in the KOSMA-tau PDR model code to achieve a consistent description of the dust-related physics in the code. The detailed knowledge of the dust properties is then used to compute the dust continuum emissi
on together with the line emission of chemical species. We coupled the KOSMA-tau PDR code with the MCDRT (multi component dust radiative transfer) code to solve the frequency-dependent radiative transfer equations and the thermal balance equation in a dusty clump under the assumption of spherical symmetry, assuming thermal equilibrium in calculating the dust temperatures, neglecting non-equilibrium effects. We updated the calculation of the photoelectric heating and extended the parametrization range for the photoelectric heating toward high densities and UV fields. We revised the computation of the H2 formation on grain surfaces to include the Eley-Rideal effect, thus allowing for high-temperature H2 formation. We demonstrate how the different optical properties, temperatures, and heating and cooling capabilities of the grains influence the physical and chemical structure of a model cloud. The most influential modification is the treatment of H2 formation on grain surfaces that allows for chemisorption. This increases the total H2 formation significantly and the connected H2 formation heating provides a profound heating contribution in the outer layers of the model clumps. The contribution of PAH surfaces to the photoelectric heating and H2 formation provides a boost to the temperature of outer cloud layers, which is clearly traced by high-J CO lines. Increasing the fraction of small grains in the dust size distribution results in hotter gas in the outer cloud layers caused by more efficient heating and cooler cloud centers, which is in turn caused by the more efficient FUV extinction.
Methods: We used the dual-band receiver GREAT on board the SOFIA airborne telescope to perform observations of the [C II] 158 {mu}m fine-structure line at the postitions of two giant molecular clouds (GMC) in the center of IC 342 (GMCs C and E) and c
ompared the spectra with corresponding ground-based data for low- and mid-J CO and [C I]. We performed model calculations assuming a clumpy photo-dissociation region (PDR) environment using the KOSMA-tau PDR model code to derive physical parameters of the local medium. Results: The [C II] 158 {mu}m emission resembles the spectral signature of ground-based atomic and molecular lines, which indicates a common origin. The emission from GMC E can be decomposed into a cool, molecular component with weak far-ultraviolet (FUV) fields and low, mean densities of 103 cm^-3 and a strongly excited starburst/PDR region with higher densities of 104 cm^-3 and FUV intensities of 250-300 Draine fields. The emission from GMC C is consistent with gas densities of 5000 cm^-3, FUV intensities of a few Draine fields and total gas masses of 20times10^6 M$_odot$. Conclusions: The high spectral resolution of the GREAT receiver allowed us to decompose the [C II] emission of the GMC E into a strongly excited gas component resembling a PDR/starburst environment and a quieter, less excited gas component and to analyze the different components within a single beam individually.
Aims. Chemical databases such as the UMIST Database for Astrochemistry (UDFA) are indispensable in the numerical modeling of astrochemical networks. Several of the listed reactions in the UDFA have properties that are problematic in numerical computa
tions: Some are parametrized in a way that leads to extremely divergent behavior for low kinetic temperatures. Other reactions possess multiple entries that are each valid in a different temperature regime, but have no smooth transition when switching from one to another. Numerically, this introduces many difficulties.We present corrected parametrizations for these sets of reactions in the UDFA06 database. Methods. From the tabulated parametrization in UDFA, we created artificial data points and used a Levenberg-Marquardt algorithm to find a set of improved fit parameters without divergent behavior for low temperatures. For reactions with multiple entries in the database that each possess a different temperature regime, we present one joint parametrization that is designed to be valid over the whole cumulative temperature range of all individual reactions. Results. We show that it is possible to parametrize numerically problematic reactions from UDFA in a form that avoids low temperature divergence. Additionally, we demonstrate that it is possible to give a collective parametrization for reaction rate coefficients of reactions with multiple entries in UDFA. We present these new fitted values in tabulated form.
Aims: We aim at deriving the excitation conditions of the interstellar gas as well as the local FUV intensities in the molecular cloud surrounding NGC 3603 to get a coherent picture of how the gas is energized by the central stars. Methods: The NANTE
N2-4m submillimeter antenna is used to map the [CI] 1-0, 2-1 and CO 4-3, 7-6 lines in a 2 x 2 region around the young OB cluster NGC 3603 YC. These data are combined with C18O 2-1 data, HIRES-processed IRAS 60 and 100 micron maps of the FIR continuum, and Spitzer/IRAC maps. Results: The NANTEN2 observations show the presence of two molecular clumps located south-east and south-west of the cluster and confirm the overall structure already found by previous CS and C18O observations. We find a slight position offset of the peak intensity of CO and [CI], and the atomic carbon appears to be further extended compared to the molecular material. We used the HIRES far-infrared dust data to derive a map of the FUV field heating the dust. We constrain the FUV field to values of chi = 3 - 6 times 10^3 in units of the Draine field across the clouds. Approximately 0.2 to 0.3 % of the total FUV energy is re-emitted in the [CII] 158 {mu}m cooling line observed by ISO. Applying LTE and escape probability calculations, we derive temperatures (TMM1 = 43 K, TMM2 = 47 K), column densities (N(MM1) = 0.9 times 10^22 cm^-2, N(MM2) = 2.5 times 10^22 cm^-2) and densities (n(MM1) = 3 times 10^3 cm^-3, n(MM2) = 10^3 -10^4 cm^-3) for the two observed molecular clumps MM1 and MM2. Conclusions: The cluster is strongly interacting with the ambient molecular cloud, governing its structure and physical conditions. A stability analysis shows the existence of gravitationally collapsing gas clumps which should lead to star formation. Embedded IR sources have already been observed in the outskirts of the molecular cloud and seem to support our conclusions.
Using Herschels HIFI instrument we have observed [C II] along a cut through S140 and high-J transitions of CO and HCO+ at two positions on the cut, corresponding to the externally irradiated ionization front and the embedded massive star forming core
IRS1. The HIFI data were combined with available ground-based observations and modeled using the KOSMA-tau model for photon dominated regions. Here we derive the physical conditions in S140 and in particular the origin of [C II] emission around IRS1. We identify three distinct regions of [C II] emission from the cut, one close to the embedded source IRS1, one associated with the ionization front and one further into the cloud. The line emission can be understood in terms of a clumpy model of photon-dominated regions. At the position of IRS1, we identify at least two distinct components contributing to the [C II] emission, one of them a small, hot component, which can possibly be identified with the irradiated outflow walls. This is consistent with the fact that the [C II] peak at IRS1 coincides with shocked H2 emission at the edges of the outflow cavity. We note that previously available observations of IRS1 can be well reproduced by a single-component KOSMA-tau model. Thus it is HIFIs unprecedented spatial and spectral resolution, as well as its sensitivity which has allowed us to uncover an additional hot gas component in the S140 region.
