Aims. The nuclei of active galaxies harbor massive young stars, an accreting central black hole, or both. In order to determine the physical conditions that pertain to molecular gas close to the sources of radiation, numerical models are constructed. Methods. These models iteratively determine the thermal and chemical balance of molecular gas that is exposed to X-rays (1-100 keV) and far-ultraviolet radiation (6-13.6 eV), as a function of depth.Results. We present a grid of XDR and PDR models that span ranges in density (10 2 −10 6.5 cm −3 ), irradiation (10 0.5 −10 5 G 0 and 1-0 ratio becomes larger than one, although the individual HCN 1-0 and HCO + 1-0 line intensities are weaker. For modest densities, n = 10 4 −10 5 cm −3 , and strong radiation fields (>100 erg s −1 cm −2 ), HCN/HCO + ratios can become larger in XDRs than PDRs as well. Also, the HCN/CO 1-0 ratio is typically smaller in XDRs, and the HCN emission in XDRs is boosted with respect to CO only for high (column) density gas, with columns in excess of 10 23 cm −2 and densities larger than 10 4 cm −3 . Furthermore, CO is typically warmer in XDRs than in PDRs, for the same total energy input. This leads to higher CO J = N + 1 − N/CO 1-0, N ≥ 1, line ratios in XDRs. In particular, lines with N ≥ 10, like CO(16-15) and CO(10-9) observable with HIFI/Herschel, discriminate very well between XDRs and PDRs. This is crucial since the XDR/AGN contribution will typically be of a much smaller (possibly beam diluted) angular scale and a 10-25% PDR contribution can already suppress XDR distinguishing features involving HCN/HCO+ and HNC/HCN. For possible future observations, column density ratios indicate that CH, CH + , NO, HOC + and HCO are good PDR/XDR discriminators.

Abstract. We present a far-ultraviolet (PDR) and an X-ray dominated region (XDR) code. We include and discuss thermal and chemical processes that pertain to irradiated gas. An elaborate chemical network is used and a careful treatment of PAHs and H 2 formation, destruction and excitation is included. For both codes we calculate four depth-dependent models for different densities and radiation fields, relevant to conditions in starburst galaxies and active galactic nuclei. A detailed comparison between PDR and XDR physics is made for total gas column densities between ∼10 20 and ∼10 25 cm −2 . We show cumulative line intensities for a number of fine-structure lines (e.g., [CII], [OI], [CI], [SiII], [FeII]), as well as cumulative column densities and column density ratios for a number of species (e.g., CO/H 2 , CO/C, HCO + /HCN, HNC/HCN). The comparison between the results for the PDRs and XDRs shows that column density ratios are almost constant up to N H = 10 22 cm −2 for XDRs, unlike those in PDRs. For example, CO/C in PDRs changes over four orders of magnitude from the edge to N H = 10 22 cm −2 . The CO/C and CO/H 2 ratios are lower in XDRs at low column densities and rise at N H > 10 23 cm −2 . At most column densities N H > 10 21.5 cm −2 , HNC/HCN ratios are lower in XDRs too, but they show a more moderate increase at higher N H .

We propose a set of standard assumptions for the modelling of Class II and III protoplanetary disks, which includes detailed continuum radiative transfer, thermo-chemical modelling of gas and ice, and line radiative transfer from optical to cm wavelengths. The first paper of this series focuses on the assumptions about the shape of the disk, the dust opacities, dust settling, and polycyclic aromatic hydrocarbons (PAHs). In particular, we propose new standard dust opacities for disk models, we present a simplified treatment of PAHs in radiative equilibrium which is sufficient to reproduce the PAH emission features, and we suggest using a simple yet physically justified treatment of dust settling. We roughly adjust parameters to obtain a model that predicts continuum and line observations that resemble typical multi-wavelength continuum and line observations of Class II T Tauri stars. We systematically study the impact of each model parameter (disk mass, disk extension and shape, dust settling, dust size and opacity, gas/dust ratio, etc.) on all mainstream continuum and line observables, in particular on the SED, mm-slope, continuum visibilities, and emission lines including [OI] 63 μm, high-J CO lines, (sub-)mm CO isotopologue lines, and CO fundamental ro-vibrational lines. We find that evolved dust properties, i.e. large grains, often needed to fit the SED, have important consequences for disk chemistry and heating/cooling balance, leading to stronger near-to far-IR emission lines in general. Strong dust settling and missing disk flaring have similar effects on continuum observations, but opposite effects on far-IR gas emission lines. PAH molecules can efficiently shield the gas from stellar UV radiation because of their strong absorption and negligible scattering opacities in comparison to evolved dust. The observable millimetre-slope of the SED can become significantly more gentle in the case of cold disk midplanes, which we find regularly in our T Tauri models. We propose to use line observations of robust chemical tracers of the gas, such as O, CO, and H 2 , as additional constraints to determine a number of key properties of the disks, such as disk shape and mass, opacities, and the dust/gas ratio, by simultaneously fitting continuum and line observations.

Aims. We present a comparison between independent computer codes, modeling the physics and chemistry of interstellar photon dominated regions (PDRs). Our goal was to understand the mutual differences in the PDR codes and their effects on the physical and chemical structure of the model clouds, and to converge the output of different codes to a common solution. Methods. A number of benchmark models have been created, covering low and high gas densities n = 10 3 , 10 5.5 cm −3 and far ultraviolet intensities χ = 10, 10 5 in units of the Draine field (FUV: 6 < h ν < 13.6 eV). The benchmark models were computed in two ways: one set assuming constant temperatures, thus testing the consistency of the chemical network and photo-processes, and a second set determining the temperature self consistently by solving the thermal balance, thus testing the modeling of the heating and cooling mechanisms accounting for the detailed energy balance throughout the clouds. Results. We investigated the impact of PDR geometry and agreed on the comparison of results from spherical and plane-parallel PDR models. We identified a number of key processes governing the chemical network which have been treated differently in the various codes such as the effect of PAHs on the electron density or the temperature dependence of the dissociation of CO by cosmic ray induced secondary photons, and defined a proper common treatment. We established a comprehensive set of reference models for ongoing and future PDR model bench-marking and were able to increase the agreement in model predictions for all benchmark models significantly. Nevertheless, the remaining spread in the computed observables such as the atomic fine-structure line intensities serves as a warning that there is still a considerable uncertainty when interpreting astronomical data with our models.

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