We present the results of models of the chemistry, including deuterium, in the inner regions of protostellar disks. We find good agreement with recent gas phase observations of several (non--deuterated) species. We also compare our results with observations of comets and find that in the absence of other processing e.g. in the accretion shock at the surface of the disk, or by mixing in the disk, the calculated D/H ratios in ices are higher than measured and reflect the D/H ratio set in the molecular cloud phase. Our models give quite different abundances and molecular distributions to other inner disk models because of the differences in physical conditions in the model disk. This emphasizes how changes in the assumptions about the density and temperature distribution can radically affect the results of chemical models.
High levels of deuterium fractionation in gas-phase molecules are usually associated with cold regions, such as prestellar cores. Significant fractionation ratios are also observed in hot environments such as hot cores or hot corinos, where they are believed to be produced by the evaporation of the icy mantles surrounding dust grains, and thus are remnants of a previous cold (either gas-phase or grain surface) chemistry. The recent detection of DCN towards the Orion Bar, in a clump at a characteristic temperature of 70K, has shown that high deuterium fractionation can also be detected in PDRs.…
The standard interstellar ratio of deuterium to hydrogen (D/H) atoms is $\sim 1.5 \times 10^{-5}$. However, the deuterium fractionation is in fact found to be enhanced, to different degrees, in cold, dark cores, hot cores around massive star forming regions, lukewarm cores, and warm cores ({\it hereafter}, hot corinos) around low-mass star forming regions. In this paper, we investigate the overall differences in the deuterium chemistry between hot cores and hot corinos. We have modelled the chemistry of dense gas around low-mass and massive star forming regions using a gas-grain chemical model…
Observations of deuterium fractionation in the solar system, and in interstellar and circumstellar material, are commonly used to constrain the formation environment of volatiles. Toward protoplanetary disks, this approach has been limited by the small number of detected deuterated molecules, i.e. DCO$^+$ and DCN. Based on ALMA Cycle 2 observations toward the disk around the T Tauri star AS 209, we report the first detection of N$_2$D$^+$ (J=3-2) in a protoplanetary disk. These data are used together with previous Submillimeter Array observations of N$_2$H$^+$ (J=3-2) to estimate a disk-averag…
We investigate deuterium chemistry coupled with the nuclear spin-state chemistry of H$_2$ and H$_3^+$ in protoplanetary disks. Multiple paths of deuterium fractionation are found; exchange reactions with D atoms, such as HCO$^+$ + D, are effective in addition to those with HD. In a disk model with grain sizes appropriate for dark clouds, the freeze-out of molecules is severe in the outer midplane, while the disk surface is shielded from UV radiation. Gaseous molecules, including DCO$^+$, thus become abundant at the disk surface, which tends to make their column density distribution relatively …
We present results from a model of the chemical evolution of protoplanetary disks. In our models we directly calculate the changing propagation and penetration of a high energy radiation field with Lyman alpha radiation included. We also explore the effect on our models of including dust grain settling. We find that, in agreement with earlier studies, the evolution of dust grains plays a large role in determining how deep the UV radiation penetrates into the disk. Significant grain settling at the midplane leads to much smaller freeze-out regions and a correspondingly larger molecular layer, w…
The deuterium fraction [N$_2$D$^+$]/[N$_2$H$^+$], may provide information about the ages of dense, cold gas structures, important to compare with dynamical models of cloud core formation and evolution. Here we introduce a complete chemical network with species containing up to three atoms, with the exception of the Oxygen chemistry, where reactions involving H$_3$O$^+$ and its deuterated forms have been added, significantly improving the consistency with comprehensive chemical networks. Deuterium chemistry and spin states of H$_2$ and H$_3^+$ isotopologues are included in this primarily gas-ph…
In this work we present the first attempt of modelling the deuterium chemistry in the massive young protostellar core NGC 2264 CMM3. We investigated the sensitivity of this chemistry to the physical conditions in its surrounding environment. The results showed that deuteration, in the protostellar gas, is affected by variations in the core density, the amount of gas depletion onto grain surfaces, the CR ionisation rate, but it is insensitive to variations in the H$_2$ ortho-to-para ratio. Our results, also, showed that deuteration is often enhanced in less-dense, partially depleted ($<$ 85\%),…
We present an observational and theoretical study of the primary ionizing agents (cosmic rays and X-rays) in the TW Hya protoplanetary disk. We use a set of resolved and unresolved observations of molecular ions and other molecular species, encompassing eleven lines total, in concert with a grid of disk chemistry models. The molecular ion constraints comprise new data from the Submillimeter Array on HCO$^+$, acquired at unprecedented spatial resolution, and data from the literature, including ALMA observations of N$_2$H$^+$. We vary the model incident CR flux and stellar X-ray spectra and find…
The deuterium fractionation of gas-phase molecules in hot cores is believed to reflect the composition of interstellar ices. The deuteration of methanol is a major puzzle, however, because the isotopologue ratio [CH2DOH]/[CH3OD], which is predicted to be equal to 3 by standard grain chemistry models, is much larger (~20) in low-mass hot corinos and significantly lower (~1) in high-mass hot cores. This dichotomy in methanol deuteration between low-mass and massive protostars is currently not understood. In this study, we report a simplified rate equation model of the deuterium chemistry occurri…
In this Letter we report the CO abundance relative to H2 derived toward the circumstellar disk of the T-Tauri star TW Hya from the HD (1-0) and C18O (2-1) emission lines. The HD (1-0) line was observed by the Herschel Space Observatory Photodetector Array Camera and Spectrometer whereas C18O (2-1) observations were carried out with the Submillimeter Array at a spatial resolution of 2.8" x 1.9" (corresponding to 142 x 97 AU). In the disk's warm molecular layer (T>20 K) we measure a disk-averaged gas-phase CO abundance relative to H2 of $χ{\rm(CO)}=(0.1-3)x10^{-5}$, substantially lower than the …
Max Planck Institute for Astronomy（马克斯·普朗克天文研究所）；Institute of Astronomy, Russian Academy of Sciences（俄罗斯科学院天文研究所）；Ludwig Maximilian University（路德维希·马克西米利安大学）
Aims. With the large amount of molecular emission data from (sub)millimeter observatories and incoming James Webb Space Telescope infrared spectroscopy, access to fast forward models of the chemical composition of protoplanetary disks is of paramount importance. Methods. We used a thermo-chemical modeling code to generate a diverse population of protoplanetary disk models. We trained a K-nearest neighbors (KNN) regressor to instantly predict the chemistry of other disk models. Results. We show that it is possible to accurately reproduce chemistry using just a small subset of physical condition…
Until now, axisymmetric, alpha-disc models have been adopted for calculations of the chemical composition of protoplanetary discs. While this approach is reasonable for many discs, it is not appropriate when self-gravity is important. In this case, spiral waves and shocks cause temperature and density variations that affect the chemistry. We have adopted a dynamical model of a solar-mass star surrounded by a massive (0.39 Msun), self-gravitating disc, similar to those that may be found around Class 0 and early Class I protostars, in a study of disc chemistry. We find that for each of a number …
The composition of a protoplanetary disk is set by a combination of interstellar inheritance and gas and grain surface chemical reactions within the disk. The survival of inherited molecules, as well as the disk in situ chemistry depends on the local temperature, density and irradiation environment, which can change over time due to stellar and disk evolution, as well as transport in the disk. We address one aspect of this coupling between the physical and chemical evolution in disks by following accretion streamlines of gas and small grains in the disk midplane, while simultaneously taking th…
H$_2$CO ice on dust grains is an important precursor of complex organic molecules (COMs). H$_2$CO gas can be readily observed in protoplanetary disks and may be used to trace COM chemistry. However, its utility as a COM probe is currently limited by a lack of constraints on the relative contributions of two different formation pathways: on icy grain-surfaces and in the gas-phase. We use archival ALMA observations of the resolved distribution of H$_2$CO emission in the disk around the young low-mass star DM Tau to assess the relative importance of these formation routes. The observed H$_2$CO em…
We have conducted the first extensive observational survey of several deuterated species in 16 Class 0/I proto-brown dwarfs (proto-BDs) and 4 Class Flat/Class II brown dwarfs. Observations were obtained with the IRAM 30m telescope in the DCO$^{+}$ (3-2), DCN (3-2), DNC (3-2), and N$_{2}$D$^{+}$ (3-2) lines. The DCO$^{+}$/H$^{13}$CO$^{+}$, DCN/H$^{13}$CN, and DNC/HN$^{13}$C ratios are comparatively higher and show a narrower range than the DCO$^{+}$/HCO$^{+}$, DCN/HCN, and DNC/HNC ratios, respectively. The mean D/H ratios for the proto-BDs derived from these molecules are in the range of $\sim$…
The deuterium enrichment of molecules is sensitive to their formation environment. Constraining patterns of deuterium chemistry in protoplanetary disks is therefore useful for probing how material is inherited or reprocessed throughout the stages of star and planet formation. We present ALMA observations at $\sim0.6"$ resolution of DCO$^+$, H$^{13}$CO$^+$, DCN, and H$^{13}$CN in the full disks around T Tauri stars AS 209 and IM Lup, the transition disks around T Tauri stars V4046 Sgr and LkCa 15, and the full disks around Herbig Ae stars MWC 480 and HD 163296. We also present ALMA observations…
The distributions and abundances of small organics in protoplanetary disks are potentially powerful probes of disk physics and chemistry. HNC is a common probe of dense interstellar regions and the target of this study. We use the Submillimeter Array (SMA) to observe HNC 3--2 towards the protoplanetary disks around the T Tauri star TW Hya and the Herbig Ae star HD 163296. HNC is detected toward both disks, constituting the first spatially resolved observations of HNC in disks. We also present SMA observations of HCN 3--2, and IRAM 30m observations of HCN and HNC 1--0 toward HD 163296. The disk…
We study the content in S-bearing molecules of protoplanetary disks around low-mass stars. We used the new IRAM 30-m receiver EMIR to perform simultaneous observations of the $1_{10}-1_{01}$ line of H$_2$S at 168.8 GHz and $2_{23}-1_{12}$ line of SO at 99.3 GHz. We compared the observational results with predictions coming from the astrochemical code NAUTILUS, which has been adapted to protoplanetary disks. The data were analyzed together with existing CS J=3-2 observations. We fail to detect the SO and H$_2$S lines, although CS is detected in LkCa15, DM\,Tau, and GO\,Tau but not in MWC\,480. …
Molecular line emission from protoplanetary disks is a powerful tool to constrain their physical and chemical structure. Nevertheless, only a few molecules have been detected in disks so far. We take advantage of the enhanced capabilities of the IRAM 30m telescope by using the new broad band correlator (FTS) to search for so far undetected molecules in the protoplanetary disks surrounding the TTauri stars DM Tau, GO Tau, LkCa 15 and the Herbig Ae star MWC 480. We report the first detection of HC3N at 5 sigma in the GO Tau and MWC 480 disks with the IRAM 30-m, and in the LkCa 15 disk (5 sigma),…
Characterizing the Extended Molecular Hydrogen Winds in Protoplanetary Disks from the JWST Disk Infrared Spectroscopic Chemistry Survey
Jet Propulsion Laboratory, California Institute of Technology（加州理工学院喷气推进实验室）；Vassar College（瓦萨学院）；Astrophysics & Space Institute（天体物理与空间研究所）；California Institute of Technology（加州理工学院）；Texas State University（德克萨斯州立大学）；NSF’s NOIRLab（美国国家科学基金会NOIR天文台实验室）；University of Arizona（亚利桑那大学）；Columbia University（哥伦比亚大学）；University of Exeter（埃克塞特大学）；Center for Astrophysics — Harvard & Smithsonian（哈佛-史密森尼天体物理中心）；Universit‘a degli Studi di Milano（米兰大学）
This work aims to understand which midplane conditions are probed by the DCO$^+$ emission in the disk around the Herbig Ae star HD 169142. We explore the sensitivity of the DCO$^+$ formation pathways to the gas temperature and the CO abundance. The DCO$^+$ $J$=3-2 transition was observed with ALMA at a spatial resolution of 0.3". The HD 169142 DCO$^+$ radial intensity profile reveals a warm, inner component at radii <30 AU and a broad, ring-like structure from ~50-230 AU with a peak at 100 AU just beyond the millimeter grain edge. We modeled DCO$^+$ emission in HD 169142 with a physical disk s…
We present carbon and oxygen abundances for 941 FGK stars-the largest such catalog to date. We find that planet-bearing systems are enriched in these elements. We self-consistently measure C/O, which is thought to play a key role in planet formation. We identify 46 stars with C/O \geq 1.00 as potential hosts of carbon-dominated exoplanets. We measure a downward trend in [O/Fe] versus [Fe/H] and find distinct trends in the thin and thick disks, supporting the work of Bensby et al. Finally, we measure sub-solar C/O = 0.40+0.11 - 0.07, for WASP-12, a surprising result as this star is host to a tr…
Grain surface chemistry is key to the composition of protoplanetary disks around young stars. The temperature of grains depends on their size. We evaluate the impact of this temperature dependence on the disk chemistry. We model a moderately massive disk with 16 different grain sizes. We use POLARIS to calculate the dust grain temperatures and the local UV flux. We model the chemistry using the 3-phase astrochemical code NAUTILUS. Photoprocesses are handled using frequency-dependent cross-sections, and a new method to account for self and mutual shielding. The multi-grain model outputs are com…
Molecular line surveys are among the main tools to probe the structure and physical conditions in protoplanetary disks (PPDs), the birthplace of planets. The large radial and vertical temperature as well as density gradients in these PPDs lead to a complex chemical composition, making chemistry an important step to understand the variety of planetary systems. We aimed to study the chemical content of the protoplanetary disk surrounding GG Tau A, a well-known triple T Tauri system. We used NOEMA with the new correlator PolyFix to observe rotational lines at 2.6 to 4 mm from a few dozen molecule…
We investigate the chemistry in a radiation-hydrodynamics model of star-forming core which evolves from a cold ($\sim 10$ K) prestellar core to the main accretion phase in $\sim 10^5$ yr. A rotationally-supported gravitationally unstable disk is formed around a protostar. We extract the temporal variation of physical parameters in $\sim 1.5 \times 10^3$ SPH particles which end up in the disk, and perform post-processing calculations of the gas-grain chemistry adopting a three-phase model. Inside the disk, the SPH particles migrate both inward and outward. Since a significant fraction of volati…
We report the first detection of a substantial brightening event in an isotopologue of a key molecular ion, HCO$^+$, within a protoplanetary disk of a T Tauri star. The H$^{13}$CO$^+$ $J=3-2$ rotational transition was observed three times toward IM Lup between July 2014 and May 2015 with the Atacama Large Millimeter Array. The first two observations show similar spectrally integrated line and continuum fluxes, while the third observation shows a doubling in the disk integrated $J=3-2$ line flux compared to the continuum, which does not change between the three epochs. We explore models of an X…
Context. This paper discusses the sensitivity of water lines to chemical processes and radiative transfer for the protoplanetary disk around TW Hya. The study focuses on the Herschel spectral range in the context of new line detections with the PACS instrument from the Gas in Protoplanetary Systems project (GASPS). Aims. The paper presents an overview of the chemistry in the main water reservoirs in the disk around TW Hya. It discusses the limitations in the interpretation of observed water line fluxes. Methods. ... (abbreviated) Results. We report new line detections of p-H2O (3_22-2_11) at 8…
In this paper, we model the chemical evolution of a 0.25 M$_{\odot}$ protoplanetary disc surrounding a 1 M$_{\odot}$ star that undergoes fragmentation due to self-gravity. We use Smoothed Particle Hydrodynamics including a radiative transfer scheme, along with time-dependent chemical evolution code to follow the composition of the disc and resulting fragments over approximately 4000 yrs. Initially, four quasi-stable fragments are formed, of which two are eventually disrupted by tidal torques in the disc. From the results of our chemical modelling, we identify species that are abundant in the f…
Context. Several sulfur-bearing molecules are observed in the interstellar medium and in comets, in strong contrast to protoplanetary disks where only CS, H$_2$CS and SO have been detected so far. Aims. We combine observations and chemical models to constrain the sulfur abundances and their sensitivity to physical and chemical conditions in the DM Tau protoplanetary disk. Methods. We obtained $0.5^{"}$ ALMA observations of DM Tau in Bands 4 and 6 in lines of CS, SO, SO$_2$, OCS, CCS, H$_2$CS and H$_2$S, achieving a $\sim 5$ mJy sensitivity. Using the non-LTE radiative transfer code RADEX and t…
The origins of planets, and perhaps life itself, is intrinsically linked to the chemistry of planet formation. In this chapter we will attempt to explore the chemistry of planet-forming disks from the perspective of knowledge gained from decades of solar system study, combined with our rapidly growing knowledge of extra-solar protoplanetary disks. Our aim is not to provide a comprehensive survey of the literature, but rather to present the chemical and physical tools that are used to explore chemical evolution during the earliest stages of planet formation. We include a discussion of observati…
We develop a simple iterative scheme to include vertical turbulent mixing and diffusion in ProDiMo thermo-chemical models for protoplanetary discs. The models are carefully checked for convergence toward the time-independent solution of the reaction-diffusion equations, as e.g. used in exoplanet atmosphere models. A series of five T Tauri disc models is presented where we vary the mixing parameter α mix from 0 to 0.01 and take into account (a) the radiative transfer feedback of the opacities of icy grains that are mixed upward and (b) the feedback of the changing molecular abundances on the ga…
Observations have revealed that the elemental abundances of carbon and oxygen in the warm molecular layers of some protoplanetary disks are depleted compared to those is the interstellar medium by a factor of ~10-100. Meanwhile, little is known about nitrogen. To investigate the time evolution of nitrogen, carbon, and oxygen elemental abundances in disks, we develop a one-dimensional model that incorporates dust settling, turbulent diffusion of dust and ices, as well as gas-ice chemistry including the chemistry driven by stellar UV/X-rays and the galactic cosmic rays. We find that gaseous CO i…
The gas mass of protoplanetary disks, and the gas-to-dust ratio, are two key elements driving the evolution of these disks and the formation of planetary system. We explore here to what extent CO (or its isotopologues) can be used as a tracer of gas mass. We use a detailed gas-grain chemical model and study the evolution of the disk composition, starting from a dense pre-stellar core composition. We explore a range of disk temperature profiles, cosmic rays ionization rates, and disk ages for a disk model representative of T Tauri stars. At the high densities that prevail in disks, we find that…
Observations of deuterated species are useful in probing the temperature, ionization level, evolutionary stage, chemistry, and thermal history of astrophysical environments. The analysis of data from ALMA and other new telescopes requires an elaborate model of deuterium fractionation. This paper presents a publicly available chemical network with multi-deuterated species and an extended, up-to-date set of gas-phase and surface reactions. To test this network, we simulate deuterium fractionation in diverse interstellar sources. Two cases of initial abundances are considered: i) atomic except fo…
Context: T Tauri stars have X-ray luminosities ranging from L_X = 10^28-10^32 erg/s. These luminosities are similar to UV luminosities (L_UV 10^30-10^31 erg/s) and therefore X-rays are expected to affect the physics and chemistry of the upper layers of their surrounding protoplanetary disks. Aim: The effects and importance of X-rays on the chemical and hydrostatic structure of protoplanetary disks are investigated, species tracing X-ray irradiation (for L_X >= 10^29 erg/s) are identified and predictions for [OI], [CII] and [NII] fine structure line fluxes are provided. Methods: We have impleme…
Young stars are highly variable in the X-ray regime. In particular, bright X-ray flares can substantially enhance ionization in the surrounding protoplanetary disk. Since disk chemical evolution is impacted by ionization, X-ray flares have the potential to fundamentally alter the chemistry of planet forming regions. We present 2D disk chemical models that incorporate a stochastic X-ray flaring module, named \xgen, and examine the flares' overall chemical impact compared to models that assume a constant X-ray flux. We examine the impact of 500 years of flaring events and find global chemical ch…
The Solar System formed about 4.6 billion years ago from a condensation of matter inside a molecular cloud. Trying to reconstruct what happened is the goal of this chapter. For that, we put together our understanding of Galactic objects that will eventually form new suns and planetary systems, with our knowledge on comets, meteorites and small bodies of the Solar System today. Our specific tool is the molecular deuteration, namely the amount of deuterium with respect to hydrogen in molecules. This is the Ariadne's thread that helps us to find the way out from a labyrinth of possible histories …
The first detection of gas-phase methanol in a protoplanetary disk (TW Hya) is presented. In addition to being one of the largest molecules detected in disks to date, methanol is also the first disk organic molecule with an unambiguous ice chemistry origin. The stacked methanol emission, as observed with ALMA, is spectrally resolved and detected across six velocity channels ($>3 σ$), reaching a peak signal-to-noise of $5.5σ$, with the kinematic pattern expected for TW~Hya. Using an appropriate disk model, a fractional abundance of $3\times 10^{-12} - 4 \times 10^{-11}$ (with respect to H$_2$) …
Identifying the source of Earth's water is central to understanding the origins of life-fostering environments and to assessing the prevalence of such environments in space. Water throughout the solar system exhibits deuterium-to-hydrogen enrichments, a fossil relic of low-temperature, ion-derived chemistry within either (i) the parent molecular cloud or (ii) the solar nebula protoplanetary disk. Utilizing a comprehensive treatment of disk ionization, we find that ion-driven deuterium pathways are inefficient, curtailing the disk's deuterated water formation and its viability as the sole sourc…
Gas chemistry in the dust depleted inner regions of protoplanetary disks. I. Near-IR spectra and overtones
Max-Planck Institute for extraterrestrial physics（马克斯·普朗克地外物理研究所）；Kapteyn Astonomical Institute, University of Groningen（格罗宁根大学卡普坦天文研究所）；University Observatory, Faculty of Physics, Ludwig-Maximilians-University at Munchen（慕尼黑路德维希-马克西米利安大学物理学院天文台）；Max-Planck-Institut fur Astronomie（马克斯·普朗克天文学研究所）
The volatile composition of a planet is determined by the inventory of gas and ice in the parent disk. The volatile chemistry in the disk is expected to evolve over time, though this evolution is poorly constrained observationally. We present ALMA observations of C18O, C2H, and the isotopologues H13CN, HC15N, and DCN towards five Class 0/I disk candidates. Combined with a sample of fourteen Class II disks presented in Bergner et al. (2019b), this data set offers a view of volatile chemical evolution over the disk lifetime. Our estimates of C18O abundances are consistent with a rapid depletion …
Context. Time dependent gas-grain chemistry can help us understand the layered structure of species deposited onto the surface of grains during the lifetime of a protoplanetary disk. The history of trapping important quantities of carbon- and oxygen-bearing molecules onto the grains is of special significance for the formation of more complex (organic) molecules on the surface of grains. Aims. Among other processes, cosmic ray-induced UV photo-processes can lead to the efficient formation of OH. Using a more accurate treatment of cosmic ray-gas interactions for disks, we obtain an increased co…
Ortho-Para Chemistry of H2CO in the Protoplanetary Disk TW Hya
Université Grenoble Alpes（格勒诺布尔阿尔卑斯大学）；CNRS（法国国家科学研究中心）；Korea Astronomy and Space Science Institute（韩国天文学与空间科学研究院）；National Astronomical Observatory of Japan（日本国立天文台）；RIKEN Pioneering Research Institute（理化学研究所前沿研究机构）
(Abridged) Organic molecules are important constituents of protoplanetary disks. Their ro-vibrational lines observed in the near- and mid-infrared are commonly detected toward T Tauri disks. These lines are the only way to probe the chemistry in the inner few au where terrestrial planets form. To understand this chemistry, accurate molecular abundances have to be determined. This is complicated by excitation effects. Most analyses so far have made the assumption of local thermal equilibrium (LTE). Starting from estimates for the collisional rate coefficients of HCN, non-LTE slab models of the …
The amount of high-energy stellar radiation reaching the surface of protoplanetary disks is essential to determine their chemistry and physical evolution. Here, we use millimetric and centimetric radio data to constrain the EUV luminosity impinging on 14 disks around young (~2-10Myr) sun-like stars. For each object we identify the long-wavelength emission in excess to the dust thermal emission, attribute that to free-free disk emission, and thereby compute an upper limit to the EUV reaching the disk. We find upper limits lower than 10$^{42}$ photons/s for all sources without jets and lower tha…
In this Letter we model the chemistry of DCO$^{+}$ in protoplanetary disks. We find that the overall distribution of the DCO$^{+}$ abundance is qualitatively similar to that of CO but is dominated by thin layer located at the inner disk surface. To understand its distribution, we investigate the different key gas-phase deuteration pathways that can lead to the formation of DCO$^{+}$. Our analysis shows that the recent update in the exothermicity of the reaction involving CH$_2$D$^{+}$ as a parent molecule of DCO$^{+}$ favors deuterium fractionation in warmer conditions. As a result the formati…
We investigate which properties of protoplanetary disks around T Tauri stars affect the physics and chemistry in the regions where mid- and far-IR water lines originate and their respective line fluxes. We search for diagnostics for future observations. With the code ProDiMo, we build a series of models exploring a large parameter space, computing rotational and rovibrational transitions of water in nonlocal thermodynamic equilibrium (non-LTE). We select a sample of transitions in the mid- IR regime and the fundamental ortho and para water transitions in the far-IR. We investigate the chemistr…
