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In 2012 Raghavan, Samuel, and Subrahmanyam showed that the Kazhdan--Lusztig basis for the Iwahori--Hecke algebra in type A provides a ``canonical'' basis for the centraliser algebra of the Schur algebra acting on tensor space. In 2022 the second author found a similar result for the centraliser of the partition algebra acting on the same tensor space. Each basis is indexed by permutations. We exploit these bases to show that the linear decomposition of an arbitrary invariant (in either centraliser algebra) depends integrally on its entries, and describe combinatorial rules that pick out minimal sets of such entries., Comment: 18 pages

(Abridged) Through spectrally unresolved observations of high-J CO transitions, Herschel-PACS has revealed large reservoirs of warm (300 K) and hot (700 K) molecular gas around low-mass protostars. We aim to shed light on the excitation and origin of the CO ladder observed toward protostars, and on the water abundance in different physical components using spectrally resolved Herschel-HIFI data. Observations are presented of the highly excited CO line J=16-15 with Herschel-HIFI toward 24 low-mass protostellar objects. The spectrally resolved profiles show two distinct velocity components: a broad component with an average FWHM of 20 km/s, and a narrower component with a FWHM of 5 km/s that is often offset from the source velocity. The average rotational temperature over the entire profile, as measured from comparison between CO J=16-15 and 10-9 emission, is ~300 K. A radiative-transfer analysis shows that the average H2O/CO column-density ratio is ~0.02, suggesting a total H2O abundance of ~2x10^-6. Two distinct velocity profiles observed in the HIFI line profiles suggest that the CO ladder observed with PACS consists of two excitation components. The warm component (300 K) is associated with the broad HIFI component, and the hot component (700 K) is associated with the offset HIFI component. The former originates in either outflow cavity shocks or the disk wind, and the latter in irradiated shocks. The ubiquity of the warm and hot CO components suggests that fundamental mechanisms govern the excitation of these components; we hypothesize that the warm component arises when H2 stops being the dominant coolant. In this scenario, the hot component arises in cooling molecular H2-poor gas just prior to the onset of H2 formation. High spectral resolution observations of highly excited CO transitions uniquely shed light on the origin of warm and hot gas in low-mass protostellar objects., Comment: Accepted for publication in A&A

(Abridged) Far-infrared Herschel-PACS spectra of 18 low-mass protostars of various luminosities and evolutionary stages are studied. We quantify their far-infrared line emission and the contribution of different atomic and molecular species to the gas cooling budget during protostellar evolution. We also determine the spatial extent of the emission and investigate the underlying excitation conditions. Most of the protostars in our sample show strong atomic and molecular far-infrared emission. Water is detected in 17 objects, including 5 Class I sources. The high-excitation H2O line at 63.3 micron is detected in 7 sources. CO transitions from J=14-13 up to 49-48 are found and show two distinct temperature components on Boltzmann diagrams with rotational temperatures of ~350 K and ~700 K. H2O has typical excitation temperatures of ~150 K. Emission from both Class 0 and I sources is usually spatially extended along the outflow direction but with a pattern depending on the species and the transition. The H2O line fluxes correlate strongly with those of the high-J CO lines, as well as with the bolometric luminosity and envelope mass. They correlate less strongly with OH and not with [OI] fluxes. The PACS data probe at least two physical components. The H2O and CO emission likely arises in non-dissociative (irradiated) shocks along the outflow walls with a range of pre-shock densities. Some OH is also associated with this component, likely resulting from H2O photodissociation. UV-heated gas contributes only a minor fraction to the CO emission observed by PACS, based on the strong correlation between the shock-dominated CO 24-23 line and the CO 14-13 line. [OI] and some of the OH emission probe dissociative shocks in the inner envelope. The total far-infrared cooling is dominated by H2O and CO, with [OI] increasing for Class I sources., Comment: Accepted for publication in A&A, 48 pages with appendix

OH is a key species in the water chemistry of star-forming regions, because its presence is tightly related to the formation and destruction of water. This paper presents OH observations from 23 low- and intermediate-mass young stellar objects obtained with the PACS integral field spectrometer on-board Herschel in the context of the Water In Star-forming Regions with Herschel (WISH) key program. Most low-mass sources have compact OH emission (< 5000 AU scale), whereas the OH lines in most intermediate-mass sources are extended over the whole PACS detector field-of-view (> 20000 AU). The strength of the OH emission is correlated with various source properties such as the bolometric luminosity and the envelope mass, but also with the OI and H2O emission. Rotational diagrams for sources with many OH lines show that the level populations of OH can be approximated by a Boltzmann distribution with an excitation temperature at around 70 K. Radiative transfer models of spherically symmetric envelopes cannot reproduce the OH emission fluxes nor their broad line widths, strongly suggesting an outflow origin. Slab excitation models indicate that the observed excitation temperature can either be reached if the OH molecules are exposed to a strong far-infrared continuum radiation field or if the gas temperature and density are sufficiently high. Using realistic source parameters and radiation fields, it is shown for the case of Ser SMM1 that radiative pumping plays an important role in transitions arising from upper level energies higher than 300 K. The compact emission in the low-mass sources and the required presence of a strong radiation field and/or a high density to excite the OH molecules points towards an origin in shocks in the inner envelope close to the protostar., Comment: Accepted for publication in Astronomy and Astrophysics. Abstract abridged

(Abridged) Water is a key tracer of dynamics and chemistry in low-mass protostars, but spectrally resolved observations have so far been limited in sensitivity and angular resolution. In this first systematic survey of spectrally resolved water emission in low-mass protostellar objects, H2O was observed in the ground-state transition at 557 GHz with HIFI on Herschel in 29 embedded Class 0 and I protostars. Complementary far-IR and sub-mm continuum data (including PACS data from our program) are used to constrain the spectral energy distribution of each source. H2O intensities are compared to inferred envelope and outflow properties and CO 3-2 emission. H2O emission is detected in all objects except one. The line profiles are complex and consist of several kinematic components. The profiles are typically dominated by a broad Gaussian emission feature, indicating that the bulk of the water emission arises in outflows, not the quiescent envelope. Several sources show multiple shock components in either emission or absorption, thus constraining the internal geometry of the system. Furthermore, the components include inverse P-Cygni profiles in 7 sources (6 Class 0, 1 Class I) indicative of infalling envelopes, and regular P-Cygni profiles in 4 sources (3 Class I, 1 Class 0) indicative of expanding envelopes. "Bullets" moving at >50 km/s are seen in 4 Class 0 sources; 3 of these are new detections. In the outflow, the H2O/CO abundance ratio as a function of velocity is nearly the same for all sources, increasing from 10^-3 at <5 km/s to >10^-1 at >10 km/s. The H2O abundance in the outer envelope is low, ~10^-10. The different H2O profile components show a clear evolutionary trend: in the Class 0 sources, emission is dominated by outflow components originating inside an infalling envelope. When the infall diminishes during the Class I phase, the outflow weakens and H2O emission disappears., Comment: Accepted for publication in A&A

We study the structure of the indecomposable direct summands of tensor products of two restricted simple $SL_3(K)$-modules, where $K$ is an algebraically closed field of characteristic $p \geq 5$. We give a characteristic-free algorithm for the computation of the decomposition of such a tensor product into indecomposable modules. The $p<5$ case for $\SL_3(K)$ was studied in the authors' earlier paper. In this paper we show that for characteristics $p\geq 5$ all the indecomposable summands are rigid, in contrast to the situation in characteristic 3.

Aims. Young stars interact vigorously with their surroundings, as evident from the highly rotationally excited CO (up to Eup=4000 K) and H2O emission (up to 600 K) detected by the Herschel Space Observatory in embedded low-mass protostars. Our aim is to construct a model that reproduces the observations quantitatively, to investigate the origin of the emission, and to use the lines as probes of the various heating mechanisms. Methods. The model consists of a spherical envelope with a bipolar outflow cavity. Three heating mechanisms are considered: passive heating by the protostellar luminosity, UV irradiation of the outflow cavity walls, and C-type shocks along the cavity walls. Line fluxes are calculated for CO and H2O and compared to Herschel data and complementary ground-based data for the protostars NGC1333 IRAS2A, HH 46 and DK Cha. The three sources are selected to span a range of evolutionary phases and physical characteristics. Results. The passively heated gas in the envelope accounts for 3-10% of the CO luminosity summed over all rotational lines up to J=40-39; it is best probed by low-J CO isotopologue lines such as C18O 2-1 and 3-2. The UV-heated gas and the C-type shocks, probed by 12CO 10-9 and higher-J lines, contribute 20-80% each. The model fits show a tentative evolutionary trend: the CO emission is dominated by shocks in the youngest source and by UV-heated gas in the oldest one. This trend is mainly driven by the lower envelope density in more evolved sources. The total H2O line luminosity in all cases is dominated by shocks (>99%). The exact percentages for both species are uncertain by at least a factor of 2 due to uncertainties in the gas temperature as function of the incident UV flux. However, on a qualitative level, both UV-heated gas and C-type shocks are needed to reproduce the emission in far-infrared rotational lines of CO and H2O., Comment: 15 pages (+4 pages appendix), 20 figures, accepted by A&A

Context: The chemical composition of a molecular cloud changes dramatically as it collapses to form a low-mass protostar and circumstellar disk. Two-dimensional (2D) chemodynamical models are required to properly study this process. Aims: The goal of this work is to follow, for the first time, the chemical evolution in two dimensions all the way from a pre-stellar core into a circumstellar disk. Of special interest is the question whether the chemical composition of the disk is a result of chemical processing during the collapse phase, or whether it is determined by in situ processing after the disk has formed. Methods: Our model combines a semi-analytical method to get 2D axisymmetric density and velocity structures with detailed radiative transfer calculations to get temperature profiles and UV fluxes. Material is followed in from the core to the disk and a full gas-phase chemistry network -- including freeze-out onto and evaporation from cold dust grains -- is evolved along these trajectories. The abundances thus obtained are compared to the results from a static disk model and to observations of comets. Results: The chemistry during the collapse phase is dominated by a few key processes, such as the evaporation of CO or the photodissociation of H2O. At the end of the collapse phase, the disk can be divided into zones with different chemical histories. The disk is not in chemical equilibrium at the end of the collapse, so care must be taken when choosing the initial abundances for stand-alone disk chemistry models. Our model results imply that comets must be formed from material with different chemical histories: some of it is strongly processed, some of it remains pristine. Variations between individual comets are possible if they formed at different positions or different times in the solar nebula., Comment: 18 pages, 12 figures, accepted by A&A

OH is an important molecule in the H2O chemistry and the cooling budget of star-forming regions. The goal of the Herschel key program `Water in Star-forming regions with Herschel' (WISH) is to study H2O and related species during protostellar evolution. Our aim in this letter is to assess the origin of the OH emission from star-forming regions and constrain the properties of the emitting gas. High-resolution observations of the OH 2Pi1/2 J = 3/2-1/2 triplet at 1837.8 GHz (163.1 micron) towards the high-mass star-forming region W3 IRS 5 with the Heterodyne Instrument for the Far-Infrared (HIFI) on Herschel reveal the first hyperfine velocity-resolved OH far-infrared spectrum of a star-forming region. The line profile of the OH emission shows two components: a narrow component (FWHM approx. 4-5 km/s) with partially resolved hyperfine structure resides on top of a broad (FWHM approx. 30 km/s) component. The narrow emission agrees well with results from radiative transfer calculations of a spherical envelope model for W3 IRS 5 with a constant OH abundance of approx. 8e-9. Comparison with H2O yields OH/H2O abundance ratios of around 1e-3 for T > 100 K and around unity for T < 100K, consistent with the current picture of the dense cloud chemistry with freeze-out and photodesorption. The broad component is attributed to outflow emission. An abundance ratio of OH/H2O > 0.028 in the outflow is derived from comparison with results of water line modeling. This ratio can be explained by a fast J-type shock or a slower UV-irradiated C-type shock., Comment: accepted for publication as a letter in Astronomy and Astrophysics

We obtain a characteristic-free decomposition of tensor space, regarded as a module for the Brauer centralizer algebra., Comment: 18 pages

The ring of fluxions (real sequential germs at infinity) provides a rigorous approach to infinitesimals, different from the better-known approach of Abraham Robinson. The basic idea was first espoused in a paper by Curt Schmieden and Detlof Laugwitz published in 1958. Although this ring codifies all the usual intuitive properties of infinitesimals in a very elementary way, its existence has been generally ignored., Comment: 20 pages

HERSCHEL-HIFI observations of water from the intermediate mass protostar NGC7129 FIRS 2 provide a powerful diagnostic of the physical conditions in this star formation environment. Six spectral settings, covering four H216O and two H218O lines, were observed and all but one H218O line were detected. The four H2 16 O lines discussed here share a similar morphology: a narrower, \approx 6 km/s, component centered slightly redward of the systemic velocity of NGC7129 FIRS 2 and a much broader, \approx 25 km/s component centered blueward and likely associated with powerful outflows. The narrower components are consistent with emission from water arising in the envelope around the intermediate mass protostar, and the abundance of H2O is constrained to \approx 10-7 for the outer envelope. Additionally, the presence of a narrow self-absorption component for the lowest energy lines is likely due to self-absorption from colder water in the outer envelope. The broader component, where the H2O/CO relative abundance is found to be \approx 0.2, appears to be tracing the same energetic region that produces strong CO emission at high J., Comment: 6 pages, 4 figures, accepted by A&A

Herschel-HIFI observations of high-J lines (up to J_u=10) of 12CO, 13CO and C18O are presented toward three deeply embedded low-mass protostars, NGC 1333 IRAS 2A, IRAS 4A, and IRAS 4B, obtained as part of the Water In Star-forming regions with Herschel (WISH) key program. The spectrally-resolved HIFI data are complemented by ground-based observations of lower-J CO and isotopologue lines. The 12CO 10-9 profiles are dominated by broad (FWHM 25-30 km s^-1) emission. Radiative transfer models are used to constrain the temperature of this shocked gas to 100-200 K. Several CO and 13CO line profiles also reveal a medium-broad component (FWHM 5-10 km s^-1), seen prominently in H2O lines. Column densities for both components are presented, providing a reference for determining abundances of other molecules in the same gas. The narrow C18O 9-8 lines probe the warmer part of the quiescent envelope. Their intensities require a jump in the CO abundance at an evaporation temperature around 25 K, thus providing new direct evidence for a CO ice evaporation zone around low-mass protostars., Comment: 8 pages, 9 figures

Early results from the Herschel Space Observatory revealed the water cation H2O+ to be an abundant ingredient of the interstellar medium. Here we present new observations of the H2O and H2O+ lines at 1113.3 and 1115.2 GHz using the Herschel Space Observatory toward a sample of high-mass star-forming regions to observationally study the relation between H2O and H2O+ . Nine out of ten sources show absorption from H2O+ in a range of environments: the molecular clumps surrounding the forming and newly formed massive stars, bright high-velocity outflows associated with the massive protostars, and unrelated low-density clouds along the line of sight. Column densities per velocity component of H2 O+ are found in the range of 10^12 to a few 10^13 cm-2 . The highest N(H2O+) column densities are found in the outflows of the sources. The ratios of H2O+/H2O are determined in a range from 0.01 to a few and are found to differ strongly between the observed environments with much lower ratios in the massive (proto)cluster envelopes (0.01-0.1) than in outflows and diffuse clouds. Remarkably, even for source components detected in H2O in emission, H2O+ is still seen in absorption., Comment: 5 pages, 4 figures, accepted for publication as a letter in the A&A Herschel-HIFI special issue

We present Herschel observations of the water molecule in the massive star-forming region W3 IRS5. The o-H17O 110-101, p-H18O 111-000, p-H2O 22 202-111, p-H2O 111-000, o-H2O 221-212, and o-H2O 212-101 lines, covering a frequency range from 552 up to 1669 GHz, have been detected at high spectral resolution with HIFI. The water lines in W3 IRS5 show well-defined high-velocity wings that indicate a clear contribution by outflows. Moreover, the systematically blue-shifted absorption in the H2O lines suggests expansion, presumably driven by the outflow. No infall signatures are detected. The p-H2O 111-000 and o-H2O 212-101 lines show absorption from the cold material (T ~ 10 K) in which the high-mass protostellar envelope is embedded. One-dimensional radiative transfer models are used to estimate water abundances and to further study the kinematics of the region. We show that the emission in the rare isotopologues comes directly from the inner parts of the envelope (T > 100 K) where water ices in the dust mantles evaporate and the gas-phase abundance increases. The resulting jump in the water abundance (with a constant inner abundance of 10^{-4}) is needed to reproduce the o-H17O 110-101 and p-H18O 111-000 spectra in our models. We estimate water abundances of 10^{-8} to 10^{-9} in the outer parts of the envelope (T < 100 K). The possibility of two protostellar objects contributing to the emission is discussed., Comment: Accepted for publication in the A&A HIFI special issue

The Heterodyne Instrument for the Far Infrared (HIFI) onboard the Herschel Space Observatory allows the first observations of light diatomic molecules at high spectral resolution and in multiple transitions. Here, we report deep integrations using HIFI in different lines of hydrides towards the high-mass star forming region AFGL 2591. Detected are CH, CH+, NH, OH+, H2O+, while NH+ and SH+ have not been detected. All molecules except for CH and CH+ are seen in absorption with low excitation temperatures and at velocities different from the systemic velocity of the protostellar envelope. Surprisingly, the CH(JF,P = 3/2_2,- - 1/2_1,+) and CH+(J = 1 - 0, J = 2 - 1) lines are detected in emission at the systemic velocity. We can assign the absorption features to a foreground cloud and an outflow lobe, while the CH and CH+ emission stems from the envelope. The observed abundance and excitation of CH and CH+ can be explained in the scenario of FUV irradiated outflow walls, where a cavity etched out by the outflow allows protostellar FUV photons to irradiate and heat the envelope at larger distances driving the chemical reactions that produce these molecules., Comment: Accepted for publication in Astronomy and Astrophysics (HIFI first results issue)

'Water In Star-forming regions with Herschel' (WISH) is a key programme dedicated to studying the role of water and related species during the star-formation process and constraining the physical and chemical properties of young stellar objects. The Heterodyne Instrument for the Far-Infrared (HIFI) on the Herschel Space Observatory observed three deeply embedded protostars in the low-mass star-forming region NGC1333 in several H2-16O, H2-18O, and CO transitions. Line profiles are resolved for five H16O transitions in each source, revealing them to be surprisingly complex. The line profiles are decomposed into broad (>20 km/s), medium-broad (~5-10 km/s), and narrow (<5 km/s) components. The H2-18O emission is only detected in broad 1_10-1_01 lines (>20 km/s), indicating that its physical origin is the same as for the broad H2-16O component. In one of the sources, IRAS4A, an inverse P Cygni profile is observed, a clear sign of infall in the envelope. From the line profiles alone, it is clear that the bulk of emission arises from shocks, both on small (<1000 AU) and large scales along the outflow cavity walls (~10 000 AU). The H2O line profiles are compared to CO line profiles to constrain the H2O abundance as a function of velocity within these shocked regions. The H2O/CO abundance ratios are measured to be in the range of ~0.1-1, corresponding to H2O abundances of ~10-5-10-4 with respect to H2. Approximately 5-10% of the gas is hot enough for all oxygen to be driven into water in warm post-shock gas, mostly at high velocities., Comment: Accepted for publication in the A&A HIFI special issue

Water in Star-forming regions with Herschel (WISH) is a Herschel Key Program investigating the water chemistry in young stellar objects (YSOs) during protostellar evolution. Hydroxyl (OH) is one of the reactants in the chemical network most closely linked to the formation and destruction of H2O. High-temperature chemistry connects OH and H2O through the OH + H2 <-> H2O + H reactions. Formation of H2O from OH is efficient in the high-temperature regime found in shocks and the innermost part of protostellar envelopes. Moreover, in the presence of UV photons, OH can be produced from the photo-dissociation of H2O. High-resolution spectroscopy of the OH 163.12 micron triplet towards HH 46 and NGC 1333 IRAS 2A was carried out with the Heterodyne Instrument for the Far Infrared (HIFI) on board Herschel. The low- and intermediate-mass YSOs HH 46, TMR 1, IRAS 15398-3359, DK Cha, NGC 7129 FIRS 2, and NGC 1333 IRAS 2A were observed with the Photodetector Array Camera and Spectrometer (PACS) in four transitions of OH and two [OI] lines. The OH transitions at 79, 84, 119, and 163 micron and [OI] emission at 63 and 145 micron were detected with PACS towards the class I low-mass YSOs as well as the intermediate-mass and class I Herbig Ae sources. No OH emission was detected from the class 0 YSO NGC 1333 IRAS 2A, though the 119 micron was detected in absorption. With HIFI, the 163.12 micron was not detected from HH 46 and only tentatively detected from NGC 1333 IRAS 2A. The combination of the PACS and HIFI results for HH 46 constrains the line width (FWHM > 11 km/s) and indicates that the OH emission likely originates from shocked gas. This scenario is supported by trends of the OH flux increasing with the [OI] flux and the bolometric luminosity. Similar OH line ratios for most sources suggest that OH has comparable excitation temperatures despite the different physical properties of the sources., Comment: Accepted for publication in Astronomy and Astrophysics (Herschel special issue)

We performed a sensitive search for the ground-state emission lines of ortho- and para-water vapor in the DM Tau protoplanetary disk using the Herschel/HIFI instrument. No strong lines are detected down to 3sigma levels in 0.5 km/s channels of 4.2 mK for the 1_{10}--1_{01} line and 12.6 mK for the 1_{11}--0_{00} line. We report a very tentative detection, however, of the 1_{10}--1_{01} line in the Wide Band Spectrometer, with a strength of T_{mb}=2.7 mK, a width of 5.6 km/s and an integrated intensity of 16.0 mK km/s. The latter constitutes a 6sigma detection. Regardless of the reality of this tentative detection, model calculations indicate that our sensitive limits on the line strengths preclude efficient desorption of water in the UV illuminated regions of the disk. We hypothesize that more than 95-99% of the water ice is locked up in coagulated grains that have settled to the midplane., Comment: 5 pages, 3 figures. Accepted for publication in the Herschel HIFI special issue of A&A

SWAS and Odin provided stringent upper limits on the gas phase water abundance of dark clouds (x(H2O) < 7x10^-9). We investigate the chemistry of water vapor in starless cores beyond the previous upper limits using the highly improved angular resolution and sensitivity of Herschel and measure the abundance of water vapor during evolutionary stages just preceding star formation. High spectral resolution observations of the fundamental ortho water (o-H2O) transition (557 GHz) were carried out with Herschel HIFI toward two starless cores: B68, a Bok globule, and L1544, a prestellar core embedded in the Taurus molecular cloud complex. The rms in the brightness temperature measured for the B68 and L1544 spectra is 2.0 and 2.2 mK, respectively, in a velocity bin of 0.59 km s^-1. The continuum level is 3.5+/-0.2 mK in B68 and 11.4+/-0.4 mK in L1544. No significant feature is detected in B68 and the 3 sigma upper limit is consistent with a column density of o-H2O N(o-H2O) < 2.5x10^13 cm^-2, or a fractional abundance x(o-H2O) < 1.3x10^-9, more than an order of magnitude lower than the SWAS upper limit on this source. The L1544 spectrum shows an absorption feature at a 5 sigma level from which we obtain the first value of the o-H2O column density ever measured in dark clouds: N(o-H2O) = (8+/-4)x10^12 cm^-2. The corresponding fractional abundance is x(o-H2O) ~ 5x10^-9 at radii > 7000 AU and ~2x10^-10 toward the center. The radiative transfer analysis shows that this is consistent with a x(o-H2O) profile peaking at ~10^-8, 0.1 pc away from the core center, where both freeze-out and photodissociation are negligible. Herschel has provided the first measurement of water vapor in dark regions. Prestellar cores such as L1544 (with their high central densities, strong continuum, and large envelopes) are very promising tools to finally shed light on the solid/vapor balance of water in molecular clouds., Comment: Accepted for publication in Astronomy and Astrophysics (HIFI first results issue)

Aims: We present preliminary results of the first Herschel spectroscopic observations of NGC7129 FIRS2, an intermediate mass star-forming region. We attempt to interpret the observations in the framework of an in-falling spherical envelope. Methods: The PACS instrument was used in line spectroscopy mode (R=1000-5000) with 15 spectral bands between 63 and 185 microns. This provided good detections of 26 spectral lines seen in emission, including lines of H2O, CO, OH, O I, and C II. Results: Most of the detected lines, particularly those of H2O and CO, are substantially stronger than predicted by the spherical envelope models, typically by several orders of magnitude. In this paper we focus on what can be learned from the detected CO emission lines. Conclusions: It is unlikely that the much stronger than expected line emission arises in the (spherical) envelope of the YSO. The region hot enough to produce such high excitation lines within such an envelope is too small to produce the amount of emission observed. Virtually all of this high excitation emission must arise in structures such as as along the walls of the outflow cavity with the emission produced by a combination of UV photon heating and/or non-dissociative shocks., Comment: A&A Special Issue on Herschel

In the framework of the Water in Star-forming regions with Herschel (WISH) key program, maps in water lines of several outflows from young stars are being obtained, to study the water production in shocks and its role in the outflow cooling. This paper reports the first results of this program, presenting a PACS map of the o-H2O 179 um transition obtained toward the young outflow L1157. The 179 um map is compared with those of other important shock tracers, and with previous single-pointing ISO, SWAS, and Odin water observations of the same source that allow us to constrain the water abundance and total cooling. Strong H2O peaks are localized on both shocked emission knots and the central source position. The H2O 179 um emission is spatially correlated with emission from H2 rotational lines, excited in shocks leading to a significant enhancement of the water abundance. Water emission peaks along the outflow also correlate with peaks of other shock-produced molecular species, such as SiO and NH3. A strong H2O peak is also observed at the location of the proto-star, where none of the other molecules have significant emission. The absolute 179 um intensity and its intensity ratio to the H2O 557 GHz line previously observed with Odin/SWAS indicate that the water emission originates in warm compact clumps, spatially unresolved by PACS, having a H2O abundance of the order of 10^-4. This testifies that the clumps have been heated for a time long enough to allow the conversion of almost all the available gas-phase oxygen into water. The total water cooling is ~10^-1 Lo, about 40% of the cooling due to H2 and 23% of the total energy released in shocks along the L1157 outflow., Comment: Accepted for publication in Astronomy and Astrophysics (Herschel special issue)

'Water in Star-forming regions with Herschel' (WISH) is a Herschel Key Programme aimed at understanding the physical and chemical structure of young stellar objects (YSOs) with a focus on water and related species. The low-mass protostar HH 46 was observed with the Photodetector Array Camera and Spectrometer (PACS) on the Herschel Space Observatory to measure emission in H2O, CO, OH, [OI], and [CII] lines located between 63 and 186 um. The excitation and spatial distribution of emission can disentangle the different heating mechanisms of YSOs, with better spatial resolution and sensitivity than previously possible. Far-IR line emission is detected at the position of the protostar and along the outflow axis. The OH emission is concentrated at the central position, CO emission is bright at the central position and along the outflow, and H2O emission is concentrated in the outflow. In addition, [OI] emission is seen in low-velocity gas, assumed to be related to the envelope, and is also seen shifted up to 170 km/s in both the red- and blue-shifted jets. Envelope models are constructed based on previous observational constraints. They indicate that passive heating of a spherical envelope by the protostellar luminosity cannot explain the high-excitation molecular gas detected with PACS, including CO lines with upper levels at >2500 K above the ground state. Instead, warm CO and H2O emission is probably produced in the walls of an outflow-carved cavity in the envelope, which are heated by UV photons and non-dissociative C-type shocks. The bright OH and [OI] emission is attributed to J-type shocks in dense gas close to the protostar. In the scenario described here, the combined cooling by far-IR lines within the central spatial pixel is estimated to be 2 \times 10-2 L_sun, with 60-80% attributed to J- and C-type shocks produced by interactions between the jet and the envelope., Comment: Accepted for publication in Astronomy and Astrophysics (Herschel special issue)

It is shown that the question raised in Section 5.7 of [1] has an affirmative answer., Comment: 3 pages

Let G be a semisimple, simply-connected algebraic group over an algebraically closed field of characteristic p > 0. We observe that the tensor product of the Steinberg module with a minuscule module is always indecomposable tilting. Although quite easy to prove, this fact does not seem to have been observed before. It has the following consequence: If p >= 2h-2 and a given tilting module has highest weight p-adically close to the r-th Steinberg weight, then the tilting module is isomorphic to a tensor product of two simple modules, usually in many ways., Comment: 6 pages

(Abridged) Aims & Methods. A two-dimensional, semi-analytical model is presented that follows, for the first time, the chemical evolution from a collapsing molecular cloud (a pre-stellar core) to a protostar and circumstellar disk. The model computes infall trajectories from any point in the cloud and tracks the radial and vertical motion of material in the viscously evolving disk. It includes a full time-dependent radiative transfer treatment of the dust temperature, which controls much of the chemistry. A small parameter grid is explored to understand the effects of the sound speed and the mass and rotation of the cloud. The freeze-out and evaporation of carbon monoxide (CO) and water (H2O), as well as the potential for forming complex organic molecules in ices, are considered as important first steps to illustrate the full chemistry. Results. Both species freeze out towards the centre before the collapse begins. Pure CO ice evaporates during the infall phase and re-adsorbs in those parts of the disk that cool below the CO desorption temperature of ~18 K. H2O remains solid almost everywhere during the infall and disk formation phases and evaporates within ~10 AU of the star. Mixed CO-H2O ices are important in keeping some solid CO above 18 K and in explaining the presence of CO in comets. Material that ends up in the planet- and comet-forming zones of the disk is predicted to spend enough time in a warm zone during the collapse to form first-generation complex organic species on the grains. The dynamical timescales in the hot inner envelope (hot core or hot corino) are too short for abundant formation of second-generation molecules by high-temperature gas-phase chemistry., Comment: 18 pages, 16 figures, accepted by A&A

We give an algorithm for working out the indecomposable direct summands in a Krull--Schmidt decomposition of a tensor product of two simple modules for G=SL_3 in characteristics 2 and 3. It is shown that there is a finite family of modules such that every such indecomposable summand is expressible as a twisted tensor product of members of that family. Along the way we obtain the submodule structure of various Weyl and tilting modules. Some of the tilting modules that turn up in characteristic 3 are not rigid; these seem to provide the first example of non-rigid tilting modules for algebraic groups. These non-rigid tilting modules lead to examples of non-rigid projective indecomposable modules for Schur algebras, as shown in the Appendix. Higher characteristics (for SL_3) will be considered in a later paper., Comment: 35 pages; to appear in International Electronic Journal of Algebra

Let $R$ be a commutative ring with one and $q$ an invertible element of $R$. The (specialized) quantum group ${\mathbf U} = U_q(\mathfrak{gl}_n)$ over $R$ of the general linear group acts on mixed tensor space $V^{\otimes r}\otimes {V^*}^{\otimes s}$ where $V$ denotes the natural $\mathbf U$-module $R^n$, $r,s$ are nonnegative integers and $V^*$ is the dual $\mathbf U$-module to $V$. The image of $\mathbf U$ in $\mathrm{End}_R(V^{\otimes r}\otimes {V^*}^{\otimes s})$ is called the rational $q$-Schur algebra $S_{q}(n;r,s)$. We construct a bideterminant basis of $S_{q}(n;r,s)$. There is an action of a $q$-deformation $\mathfrak{B}_{r,s}^n(q)$ of the walled Brauer algebra on mixed tensor space centralizing the action of $\mathbf U$. We show that $\mathrm{End}_{\mathfrak{B}_{r,s}^n(q)}(V^{\otimes r}\otimes {V^*}^{\otimes s})=S_{q}(n;r,s)$. By \cite{dipperdotystoll} the image of $\mathfrak{B}_{r,s}^n(q)$ in $\mathrm{End}_R(V^{\otimes r}\otimes {V^*}^{\otimes s})$ is $\mathrm{End}_{\mathbf U}(V^{\otimes r}\otimes {V^*}^{\otimes s})$. Thus mixed tensor space as $\mathbf U$-$\mathfrak{B}_{r,s}^n(q)$-bimodule satisfies Schur-Weyl duality., Comment: 31 pages

In this paper we investigate a multi-parameter deformation $\mathfrak{B}_{r,s}^n(a,\lambda,\delta)$ of the walled Brauer algebra which was previously introduced by Leduc (\cite{leduc}). We construct an integral basis of $\mathfrak{B}_{r,s}^n(a,\lambda,\delta)$ consisting of oriented tangles which is in bijection with walled Brauer diagrams. Moreover, we study a natural action of $\mathfrak{B}_{r,s}^n(q)= \mathfrak{B}_{r,s}^n(q^{-1}-q,q^n,[n]_q)$ on mixed tensor space and prove that the kernel is free over the ground ring $R$ of rank independent of $R$. As an application, we prove one side of Schur--Weyl duality for mixed tensor space: the image of $\mathfrak{B}_{r,s}^n(q)$ in the $R$-endomorphism ring of mixed tensor space is, for all choices of $R$ and the parameter $q$, the endomorphism algebra of the action of the (specialized via the Lusztig integral form) quantized enveloping algebra $\mathbf{U}$ of the general linear Lie algebra $\mathfrak{gl}_n$ on mixed tensor space. Thus, the $\mathbf{U}$-invariants in the ring of $R$-linear endomorphisms of mixed tensor space are generated by the action of $\mathfrak{B}_{r,s}^n(q)$., Comment: 34 pages

Within low-mass star formation, water vapor plays a key role in the chemistry and energy balance of the circumstellar material. The Herschel Space Observatory will open up the possibility to observe water lines originating from a wide range of excitation energies.Our aim is to simulate the emission of rotational water lines from envelopes characteristic of embedded low-mass protostars. A large number of parameters that influence the water line emission are explored: luminosity, density,density slope and water abundances.Both dust and water emission are modelled using full radiative transfer in spherical symmetry. The temperature profile is calculated for a given density profile. The H2O level populations and emission profiles are in turn computed with a non-LTE line code. The results are analyzed to determine the diagnostic value of different lines, and are compared with existing observations. Lines can be categorized in: (i) optically thick lines, including ground-state lines, mostly sensitive to the cold outer part; (ii) highly excited (E_u>200-250 K) optically thin lines sensitive to the abundance in the hot inner part; and (iii) lines which vary from optically thick to thin depending on the abundances. Dust influences the emission of water significantly by becoming optically thick at the higher frequencies, and by pumping optically thin lines. A good physical model of a source, including a correct treatment of dust, is a prerequisite to infer the water abundance structure and possible jumps at the evaporation temperature from observations. The inner warm (T>100 K) envelope can be probed byhighly-excited lines, while a combination of excited and spectrally resolved ground state lines probes the outer envelope. Observations of H218O lines, although weak, provide even stronger constraints on abundances., Comment: 17 pages with an online appendix of 6 pages. Accepted by A&A. Several figures are too large for astro-ph. These can be downloaded from http://www.strw.leidenuniv.nl/~kempen/water.php

We show that the defining relations needed to describe a generalized q-Schur algebra as a quotient of a quantized enveloping algebra are determined completely by the defining ideal of a certain finite affine variety, the points of which correspond bijectively to the set of weights. This explains, unifies, and extends previous results., Comment: 33 pages; to appear in "Advances in Math"

High resolution spectra of the Spitzer Space Telescope show vibration-rotation absorption bands of gaseous C2H2, HCN, and CO2 molecules toward a sample of deeply obscured (U)LIRG nuclei. The observed bands reveal the presence of dense (n>~ 10^7 cm^-3), warm (T_ex = 200-700 K) molecular gas with high column densities of these molecules ranging from a few 10^15 - 10^17 cm^-2. Abundances relative to H2, inferred from the silicate optical depth, range from ~10^-7 to 10^-6 and show no correlation with temperature. Theoretical studies show that the high abundances of both C2H2 and HCN exclude a X-ray dominated region (XDR) associated with the toroid surrounding an AGN as the origin of this dense warm molecular gas. Galactic massive protostars in the so-called Hot Core phase have similar physical characteristics with comparable high abundances of C2H2, HCN, and CO2 in the hot phase. However, the abundances of C2H2 and HCN and the C2H2/CO2 and HCN/CO2 ratios are much higher toward the (U)LIRGs in the cooler (T_ex <= 400 K) phase. We suggest that the warm dense molecular gas revealed by the mid-IR absorption lines is associated with a phase of deeply embedded star formation where the extreme pressures and densities of the nuclear starburst environment have inhibited the expansion of HII regions and the global disruption of the star forming molecular cloud cores, and `trapped' the star formation process in an `extended' Hot Core phase., Comment: 22 pages, 4 figures, published in ApJ, 659, 296 v2. updated hydrogen column densities

Submillimeter lines of CN, NO, CO+ and SO+, and upper limits on SH+ and N2O are observed with the James Clerk Maxwell Telescope in two high-mass and up to nine low-mass young stellar objects and compared with chemical models. Constant fractional abundances derived from radiative transfer modeling of the line strengths are x(CN) ~ a few x 10^{-11}-10^{-8}, x(NO) ~ 10^{-9}-10^{-8} and x(CO+) ~ 10^{-12}-10^{-10}. SO+ has abundances of a few x 10^{-11} in the high-mass objects and upper limits of ~ 10^{-12}-10^{-11} in the low-mass sources. All abundances are up to 1-2 orders of magnitude higher if the molecular emission is assumed to originate mainly from the inner region (< 1000 AU) of the envelope. For high-mass sources, the CN, SO+ and CO+ abundances and abundance ratios are best explained by an enhanced far-ultraviolet (FUV) field impacting gas at temperatures of a few hundred K. The observed column densities require that this region of enhanced FUV has scales comparable to the observing beam, such as in a geometry in which the enhanced FUV irradiates outflow walls. For low-mass sources, the required temperatures within the FUV models of T > 300 K are much higher than found in models, so that an X-ray enhanced region close to the protostar (r < 500 AU) is more plausible. The observed abundances imply X-ray fluxes for the Class 0 objects of L_X ~ 10^{29}-10^{31} erg s^{-1}, comparable to those observed from low-mass Class I protostars. Spatially resolved data are needed to clearly distinguish the effects of FUV and X-rays for individual species., Comment: accepted by A&A (02/01/2007)

Aims. To understand the roles of infall and protostellar evolution on the envelopes of massive young stellar objects (YSOs). Methods. The chemical evolution of gas and dust is traced, including infall and realistic source evolution. The temperatures are determined self-consistently. Both ad/desorption of ices using recent laboratory temperature-programmed-desorption measurements are included. Results. The observed water abundance jump near 100 K is reproduced by an evaporation front which moves outward as the luminosity increases. Ion-molecule reactions produce water below 100 K. The age of the source is constrained to t \~ 8 +/- 4 x 10^4 yrs since YSO formation. It is shown that the chemical age-dating of hot cores at ~ few x 10^3 - 10^4 yr and the disappearance of hot cores on a timescale of ~ 10^5 yr is a natural consequence of infall in a dynamic envelope and protostellar evolution. Dynamical structures of ~ 350AU such as disks should contain most of the complex second generation species. The assumed order of desorption kinetics does not affect these results., Comment: Accepted by A&A Letters; 4 pages, 5 figures

We obtain a presentation of certain affine q-Schur algebras in terms of generators and relations. The presentation is obtained by adding more relations to the usual presentation of the quantized enveloping algebra of type affine gl_n. Our results extend and rely on the corresponding result for the q-Schur algebra of the symmetric group, which were proved by the first author and Giaquinto.

We study the H2O chemistry in star-forming environments under the influence of a central X-ray source and a central far ultraviolet (FUV) radiation field. The gas-phase water chemistry is modeled as a function of time, hydrogen density and X-ray flux. To cover a wide range of physical environments, densities between n_H = 10^4-10^9 cm^-3 and temperatures between T = 10-1000 K are studied. Three different regimes are found: For T < 100 K, the water abundance is of order 10^-7-10^-6 and can be somewhat enhanced or reduced due to X-rays, depending on time and density. For 100 K < T < 250 K, H2O is reduced from initial x(H2O) ~ 10^-4 following ice evaporation to x(H2O) ~ 10^-6 for F_X > 10^-3 ergs s-1 cm^-2 (t = 10^4 yrs) and for F_X > 10^-4 ergs s^-1 cm^-2 (t = 10^5 yrs). At higher temperatures (T > 250 K) and hydrogen densities, water can persist with x(H2O) ~ 10^-4 even for high X-ray fluxes. The X-ray and FUV models are applied to envelopes around low-mass Class 0 and I young stellar objects (YSOs). Water is destroyed in both Class 0 and I envelopes on relatively short timescales (t ~ 5000 yrs) for realistic X-ray fluxes, although the effect is less prominent in Class 0 envelopes due to the higher X-ray absorbing densities there. FUV photons from the central source are not effective in destroying water. The average water abundance in Class I sources for L_X > 10^27 ergs s^-1 is predicted to be x(H2O) < 10^-6., Comment: 12 pages, 14 figures, Accepted for publication in A&A

We present a study of radiative transfer in dusty, clumpy star-forming regions. A series of self-consistent, 3-D, continuum radiative transfer models are constructed for a grid of models parameterized by central luminosity, filling factor, clump radius, and face-averaged optical depth. The temperature distribution within the clouds is studied as a function of this parameterization. Among our results, we find that: (a) the effective optical depth is smaller in clumpy regions than in equivalent homogeneous regions; (b) penetration of radiation is drive by the fraction of open sky (FOS) -- which measures the fraction of solid angle which is devoid of clumps; (c) FOS increases as clump radius increases and filling factor decreases; (d) for FOS > 0.6-0.8 the sky is sufficiently open that the temperature is relatively insensitive to FOS; (e) the physical process by which radiation penetrates is streaming between clumps; (f) filling factor dominates the temperature distribution for large optical depths, and at small clump radii for small optical depths; (g) at lower optical depths, the temperature distribution is most sensitive to filling factors of 1-10 per cent, in accordance with many observations; (h) direct shadowing can be important approximately one clump radius behind a clump., Comment: 12 pages, 17 figures, accepted by MNRAS

We present chemical models of the envelope of a young stellar object (YSO) exposed to a central X-ray source. The models are applied to the massive star-forming region AFGL 2591 for different X-ray fluxes. The total X-ray ionization rate is dominated by the `secondary' ionization rate of H2 resulting from fast electrons. The carbon, sulphur and nitrogen chemistries are discussed. It is found that He+ and H3+ are enhanced and trigger a peculiar chemistry. Several molecular X-ray tracers are found and compared to tracers of the far ultraviolet (FUV) field. Like ultraviolet radiation fields, X-rays enhance simple hydrides, ions and radicals. In contrast to ultraviolet photons, X-rays can penetrate deep into the envelope and affect the chemistry even at large distances from the source. Whereas the FUV enhanced species cover a region of 200-300 AU, the region enhanced by X-rays is >1000 AU. Best-fit models for AFGL 2591 predict an X-ray luminosity LX > 1e+31 ergs/s with a hard X-ray spectrum TX > 3e+07 K. Furthermore, we find LX/Lbol ~ 1e-6. The chemistry of the bulk of the envelope mass is dominated by cosmic-ray induced reactions rather than by X-ray induced ionization for X-ray luminosities LX < 1e+33 ergs/s. The calculated line intensities of HCO+ and HCS+ show that high-J lines are more affected than lower J lines by the presence of X-rays due to their higher critical densities, and that such differences are detectable even with large aperture single-dish telescopes. Future instruments such as Herschel-HIFI or SOFIA will be able to observe X-ray enhanced hydrides whereas the sensitivity and spatial resolution of ALMA is well-suited to measure the size and geometry of the region affected by X-rays., Comment: 25 pages, 16 figures. Accepted for publication in Astronomy & Astrophysics

We have studied the influence of X-rays from a massive young stellar object (YSO) on the chemistry of its own envelope by extending the models of Doty et al. (2002) and Staeuber et al. (2004). The models are applied to the massive star-forming region AFGL 2591 for different X-ray luminosities and plasma temperatures. Enhanced column densities for several species are predicted. In addition we present first detections of CO+ and SO+ toward AFGL 2591. These molecular ions are believed to be high-energy tracers. Herschel-HIFI will be able to observe other tracers like CH and CH+ whereas ALMA is well suited to measure the size and geometry of the emitting region., Comment: To appear in "The Dusty and Molecular Universe: A Prelude to Herschel and ALMA", Eds.: A. Wilson. To be published in ESA Conference Series

We have studied the influence of far ultraviolet (UV) radiation from a massive young stellar object (YSO) on the chemistry of its own envelope by extending the models of Doty et al. (2002) to include a central source of UV radiation. The models are applied to the massive star-forming region AFGL 2591 for different inner UV field strengths. Depth-dependent abundance profiles for several molecules are presented and discussed. We predict enhanced column densities for more than 30 species, especially radicals and ions. Comparison between observations and models is improved with a moderate UV field incident on the inner envelope, corresponding to an enhancement factor G0~10-100 at 200 AU from the star with an optical depth tau~15-17. Subtle differences are found compared with traditional models of Photon Dominated Regions (PDRs) because of the higher temperatures and higher gas-phase H2O abundance caused by evaporation of ices in the inner region. In particular, the CN/HCN ratio is not a sensitive tracer of the inner UV field, in contrast with the situation for normal PDRs: for low UV fields, the extra CN reacts with H2 in the inner dense and warm region and produces more HCN. It is found that the CH+ abundance is strongly enhanced and grows steadily with increasing UV field. High-J lines of molecules like CN and HCN are most sensitive to the inner dense region where UV radiation plays a role. Thus, even though the total column density affected by UV photons is small, comparison of high-J and low-J lines can selectively trace and distinguish the inner UV field from the outer one. In addition, future Herschel-HIFI observations of hydrides can sensitively probe the inner UV field., Comment: Accepted for publication in A&A. 13 pages, 10 figures

We present detailed gas-phase chemical models for the envelope of the low-mass star-forming region IRAS 16293-2422. By considering both time- and space-dependent chemistry, these models are used to study both the physical structure proposed by Schoier et al. (2002), as well as the chemical evolution of this region. A new feature of our study is the use of a detailed, self-consistent radiative transfer model to translate the model abundances into line strengths and compare them directly with observations of a total of 76 transitions for 18 chemical species, and their isotopes. The model can reproduce many of the line strengths observed within 50%. The best fit is for times in the range of 3e3 - 3e4 yrs, and requires only minor modifications to our model for the high-mass star-forming region AFGL 2591. The ionization rate for the source may be higher than previously expected -- either due to an enhanced cosmic-ray ionization rate, or, more probably, to the presence of X-ray induced ionization from the center. A significant fraction of the CO is found to desorb in the temperature range of 15-40 K; below this temperature, \~90% or more of the CO is frozen out. The inability of the model to explain the HCS+, C2H, and OCS abundances suggests the importance of further laboratory studies of basic reaction rates. Finally, predictions of the abundances and spatial distributions of other species which could be observed by future facilities (e.g., Herschel-HIFI, SOFIA, millimeter arrays) are provided., Comment: 15 pages, 11 Figures, accepted for publication by A&A

We present an evaluative study of some current methods utilized in the analysis of infrared (IR) observatinons of star-forming regions. A series of self-consistent radiative transfer models are constructed, with the outputs analysed using these methods to infer source properties such as dust temperature, mass, opacity function, and density distribution. Any discrepancies between the inferred and model quantities can be attributed to the analysis methods. The range of validity of most methods is smaller than expected, due to two effects: (1) limited applicability of the Rayleigh-Jeans limit except to very long wavelengths, and (2) significant errors in the isothermal approximation, even when temperature variations are less than 2 K over 90% of the region. Still, an accurate mean dust temperature can be found using a modified Wien's law. This temperature can yield dust masses to within 10-25% -- much better than masses inferred from the integrated luminosity. Using long wavelengths (greater than 1000 - 2000 microns), the opacity index can be determined from the far-IR spectrum to within 20%. Fitting the spectrum yields better results. The desnity distribution can be somewhat constrained by fitting the surface brightness, for well-resolved sources. Better results are found by fitting the flux spectrum with detailed models., Comment: 13 pages, 13 figures, published in MNRAS

We present observations of molecular high-energy radiation probes and report the first detections of CO+ toward W3 IRS5, a source containing ultracompact HII regions. UV radiation and X-rays from the central objects may enhance molecules due to photodissociation and ionization processes. To study the effects on the immediate YSO environment, we are developing time- and depth-dependant chemical models containing UV and X-ray chemistry, by extending the models of Doty et al. (2002). Molecules like CO+ or NO may be used as tracers of very early X-ray emission in regions of high extinction, from which no X-ray photons can be detected., Comment: 4 pages, 4 figures. Proceedings of the 2003 Zermatt Conference

Comparison is made between a number of independent computer programs for radiative transfer in molecular rotational lines. The test models are spherically symmetric circumstellar envelopes with a given density and temperature profile. The first two test models have a simple power law density distribution, constant temperature and a fictive 2-level molecule, while the other two test models consist of an inside-out collapsing envelope observed in rotational transitions of HCO+. For the 2-level molecule test problems all codes agree well to within 0.2%, comparable to the accuracy of the individual codes, for low optical depth and up to 2% for high optical depths (tau=4800). The problem of the collapsing cloud in HCO+ has a larger spread in results, ranging up to 12% for the J=4 population. The spread is largest at the radius where the transition from collisional to radiative excitation occurs. The resulting line profiles for the HCO+ J=4-3 transition agree to within 10%, i.e., within the calibration accuracy of most current telescopes. The comparison project and the results described in this paper provide a benchmark for future code development, and give an indication of the typical accuracy of present day calculations of molecular line transfer., Comment: Accepted for publication in A&A

We present detailed thermal and gas-phase chemical models for the envelope of the massive star-forming region AFGL 2591. Time- and space-dependent chemistry are used to study the physical structure proposed by van der Tak et al. (1999; 2000), and the chemical evolution of this region. The model is compared with observations for 29 species covering a wide range of conditions within the source. Taking appropriate care when comparing models with both emission and absorption measurements, we find that the majority of the chemical structure can be well-explained. In particular, we find that the nitrogen and hydrocarbon chemistry can be significantly affected by temperature, with the possibility of high-temperature pathways to HCN. While we cannot determine the sulphur reservoir, the observations can be explained by models with the majority of the sulphur in CS in the cold gas, SO$_{2}$ in the warm gas, and atomic sulphur in the warmest gas. The observed abundances of ions such as HCO$^+$ and N$_2$H$^+$ and the cold gas-phase production of HCN constrain the cosmic-ray ionization rate to $\sim 5.6 \times 10^{-17}$ s$^{-1}$, to within a factor of three. Finally, we find that the model and observations can simultaneously agree at a reasonable level and often to within a factor of three for $7 \times 10^{3} \leq t(\mathrm{yrs}) \leq 5 \times 10^{4}$, with a strong preference for $t \sim 3 \times 10^{4}$ yrs since the collapse and formation of the central luminosity source., Comment: 18 pages, 16 figures

We present a study of gas-phase H2O and CO2 toward a sample of 14 massive protostars with the Short Wavelength Spectrometer (SWS) on board the Infrared Space Observatory (ISO). Modeling of the H2O spectra using a homogeneous model with a constant excitation temperature T_ex shows that the H2O abundances increase with temperature, up to a few times 10^-5 with respect to H2 for the hottest sources (T_ex ~500 K). This is still a factor of 10 lower than the H2O ice abundances observed toward cold sources in which evaporation is not significant (Keane et al. 2001). Gas-phase CO2 is not abundant in our sources. The abundances are nearly constant for T_ex>~100 K at a value of a few times 10^-7, much lower than the solid-state abundances of ~1--3 times 10^-6 (Gerakines et al. 1999). For both H2O and CO2 the gas/solid ratio increases with temperature, but the increase is much stronger for H2O than for CO2, suggesting a different type of chemistry. In addition to the homogeneous models, a power law model has been developed for one of our sources, based on the physical structure of this region as determined from submillimeter data by van der Tak et al. (1999). The resulting H2O model spectrum gives a good fit to the data., Comment: Published in the Proceedings of the `ISO beyond the Peaks' Workshop, eds. A. Salama, M.F. Kessler, K. Leech & B. Schulz. ESA-SP 456, p67 (2000), 4 pages including 6 figures

We present a detailed model for the thermal balance, chemistry, and radiative transfer within quiescent dense molecular cloud cores that contain a central protostar. Large variations in the gas temperature are expected to affect the gas-phase chemistry dramatically; with the predicted H2O abundance varying by more than a factor of 1000 within cloud cores. Based on our predicitions for the thermal and chemical structure of the cores, we have constructed self-consistent radiative transfer models to compute line strengths and profiles for transitions of various isotopomers of CO, H2O, and OI. We predict the high lying transitions of water to be in absorption, and low gain maser emission at 183 GHz. We predict the 63 micron line of OI to be in absorption against the continuum for many sources. Finally, our model can also account successfully for recent ISO observations of absorption in rovibrational transitions of water toward the source AFGL 2591., Comment: 36 pages, 18 figures, LaTex, Accepted for publication by ApJ (11/97)