The ULIRG Mrk 231 exhibits very strong water rotational lines between λ= 200-670μm, comparable to the strength of the CO rotational lines. High redshift quasars also show similar CO and H2O line properties, while starburst galaxies, such as M82, lack these very strong H2O lines in the same wavelength range, but do show strong CO lines. We explore the possibility of enhancing the gas phase H2O abundance in X-ray exposed environments, using bare interstellar carbonaceous dust grains as a catalyst. Cloud-cloud collisions cause C and J shocks, and strip the grains of their ice layers. The internal UV field created by X-rays from the accreting black hole does not allow to reform the ice. We determine formation rates of both OH and H2O on dust grains, having temperature T_dust=10-60 K, using both Monte Carlo as well as rate equation method simulations. The acquired formation rates are added to our X-ray chemistry code, that allows us to calculate the thermal and chemical structure of the interstellar medium near an active galactic nucleus. We derive analytic expressions for the formation of OH and H2O on bare dust grains as a catalyst. Oxygen atoms arriving on the dust are released into the gas phase under the form of OH and H2O. The efficiencies of this conversion due to the chemistry occurring on dust are of order 30 percent for oxygen converted into OH and 60 percent for oxygen converted into H_2O between T_dust=15-40 K. At higher temperatures, the efficiencies rapidly decline. When the gas is mostly atomic, molecule formation on dust is dominant over the gas-phase route, which is then quenched by the low H2 abundance. Here, it is possible to enhance the warm (T> 200 K) water abundance by an order of magnitude in X-ray exposed environments. This helps to explain the observed bright water lines in nearby and high-redshift ULIRGs and Quasars.
The methodology for modeling grain-surface chemistry has been greatly improved by taking into account the grain size and fluctuation effects. However, the reaction rate coefficients currently used in all practical models of gas-grain chemistry are inaccurate by a significant amount. We provide expressions for these crucial rate coefficients that are both accurate and easy to incorporate into gas-grain models. We use exact results obtained in earlier work, where the reaction rate coefficient was defined by a first-passage problem, which was solved using random walk theory. The approximate react…
Within the framework of The Heterogeneous dust Evolution Model at the IaS (THEMIS) this work investigates in detail the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and its influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of 'polar ice' mantles, the red wing on the 3 um water ice band,…
The degree of porosity in interstellar dust-grain material is poorly defined, although recent work has suggested that the grains could be highly porous. Aside from influencing the optical properties of the dust, porosity has the potential to affect the chemistry occurring on dust-grain surfaces, via increased surface area, enhanced local binding energies, and the possibility of trapping of molecules within the pores as ice mantles build up on the grains. Through computational kinetics simulations, we investigate how interstellar grain-surface chemistry and ice composition are affected by the p…
The deuterium enrichment in molecules in dark molecular cloud cores and starforming regions is usually attributed to gas-phase chemistry. Here we examine the effects of surface and mantle chemical reactions on the deuteration of species. We use a simple kinetic chemistry model that includes gas, surface and mantle pore phase reactions of deuterated species. The mantle is assumed to be partially reactive due to pores with sufficient surface area for chemical reactions, that are continuously transformed by cosmic-rays. Calculation results show that surface reactions generally enhance the deutera…
The observed gas-phase molecular inventory of hot cores is believed to be significantly impacted by the products of chemistry in interstellar ices. In this study, we report the construction of a full macroscopic Monte Carlo model of both the gas-phase chemistry and the chemistry occurring in the icy mantles of interstellar grains. Our model treats icy grain mantles in a layer-by-layer manner, which incorporates laboratory data on ice desorption correctly. The ice treatment includes a distinction between a reactive ice surface and an inert bulk. The treatment also distinguishes between zeroth a…
We study the effects of grain surface reactions on the chemistry of protoplanetary disks where gas, ice surface layers and icy mantles of dust grains are considered as three distinct phases. Gas phase and grain surface chemistry is found to be mainly driven by photo-reactions and dust temperature gradients. The icy disk interior has three distinct chemical regions: (i) the inner midplane with low FUV fluxes and warm dust ($\gtrsim 15$K) that lead to the formation of complex organic molecules, (ii) the outer midplane with higher FUV from the ISM and cold dust where hydrogenation reactions domin…
In this paper, we present preliminary results illustrating the effect of cosmic rays on solid-phase chemistry in models of both TMC-1 and several sources with physical conditions identical to TMC-1 except for hypothetically enhanced ionization rates. Using a recent theory for the addition of cosmic ray-induced reactions to astrochemical models, we calculated the radiochemical yields, called $G$ values, for the primary dust grain ice-mantle constituents. We show that the inclusion of this non-thermal chemistry can lead to the formation of complex organic molecules from simpler ice-mantle consti…
A wide variety of molecules have recently been detected in the Horsehead nebula photodissociation region (PDR) suggesting that: (i) gas-phase and grain chemistries should both contribute to the formation of organic molecules, and (ii) far-ultraviolet (FUV) photodesorption may explain the release into the gas phase of grain surface species. In order to tackle these specific problems and more generally in order to better constrain the chemical structure of these types of environments we present a study of the Horsehead nebula gas-grain chemistry. To do so we used the 1D astrochemical gas-grain c…
The evaporation of molecules from dust grains is crucial to understand some key aspects of the star- and the planet-formation processes. During the warm-up phase the presence of young protostellar objects induces molecules to evaporate from the dust surface into the gas phase, enhancing its chemical complexity. Similarly, in circumstellar disks, the position of the so-called snow-lines is determined by evaporation, with important consequences for the formation of planets. The amount of molecules that are desorbed depends on the interaction between the species and the grain surface, which is co…
Theoretical studies have revealed that dust grains are usually moving fast through the turbulent interstellar gas, which could have significant effects upon interstellar chemistry by modifying grain accretion. This effect is investigated in this work on the basis of numerical gas-grain chemical modeling. Major features of the grain motion effect in the typical environment of dark clouds (DC) can be summarised as follows: 1) decrease of gas-phase (both neutral and ionic) abundances and increase of surface abundances by up to 2-3 orders of magnitude; 2) shifts of the existing chemical jumps to e…
In this paper, we present a new gas-grain chemical code for interstellar clouds written in pure Python (GGCHEMPY). By combining with the high-performance Python compiler Numba, GGCHEMPY is as efficient as the Fortran-based version. With the Python features, flexible computational workflows and extensions become possible. As a showcase, GGCHEMPY is applied to study the general effects of three-dimensional projection on molecular distributions using a two-core system which can be easily extended for more complex cases. By comparing the molecular distribution differences between two overlapping c…
Unlike gas-phase reactions, chemical reactions taking place on interstellar dust grain surfaces cannot always be modeled by rate equations. Due to the small grain sizes and low flux,these reactions may exhibit large fluctuations and thus require stochastic methods such as the moment equations. We evaluate the formation rates of H2, HD and D2 molecules on dust grain surfaces and their abundances in the gas phase under interstellar conditions. We incorporate the moment equations into the Meudon PDR code and compare the results with those obtained from the rate equations. We find that within the …
A new, more comprehensive model of gas-grain chemistry in hot molecular cores is presented, in which nondiffusive reaction processes on dust-grain surfaces and in ice mantles are implemented alongside traditional diffusive surface/bulk-ice chemistry. We build on our nondiffusive treatments used for chemistry in cold sources, adopting a standard collapse/warm-up physical model for hot cores. A number of other new chemical model inputs and treatments are also explored in depth, culminating in a final model that demonstrates excellent agreement with gas-phase observational abundances for many mol…
The aim of the presented work is to analyze the impact of experimentally evaluated reactions of hydrogen abstraction on surfaces of interstellar grains on the chemical evolution of methanol and its precursors on grains and in the gas phase under conditions of cold dark cloud and during the collapse of the translucent cloud into the dark cloud. Analysis of simulation results shows that those reactions are highly efficient destruction channels for HCO and H2CO on grain surfaces, and significantly impact the abundances of almost all molecules participating in the formation of CH3OH. Next, in mode…
The large disparity in physical conditions from the diffuse interstellar medium (ISM) to denser clouds such as photon-dominated regions (PDRs) triggers an evolution of the dust properties (i.e. composition, size, and shape). The gas physics and chemistry are tightly connected to these dust properties and are therefore affected by dust evolution and especially the nano-grain depletion in the outer irradiated part of PDRs. We highlight the influence of nano-grain depletion on the gas physics and chemistry in the Horsehead nebula, a prototypical PDR. We used a model for atomic and molecular gas i…
For the first time, we report a unified microscopic-macroscopic Monte Carlo simulation of gas-grain chemistry in cold interstellar clouds in which both the gas-phase and the grain surface chemistry are simulated by a stochastic technique. The surface chemistry is simulated with a microscopic Monte Carlo method in which the chemistry occurs on an initially flat surface. The surface chemical network consists of 29 reactions initiated by the accreting species H, O, C, and CO. Four different models are run with diverse but homogeneous physical conditions including temperature, gas density, and dif…
We present an extensive review of gas phase reactions producing methylacetylene and propene showing that these relatively abundant unsaturated hydrocarbons cannot be synthesized through gas-phase reactions. We explain the formation of propene and methylacetylene through surface hydrogenation of C3 depleted onto interstellar ices, C3 being a very abundant species in the gas phase.
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…
Long-chain hydrocarbon anions CnH- (n=4, 6, 8) have recently been found to be abundant in a variety of interstellar clouds. In order to explain their large abundances in the denser (prestellar/protostellar) environments, new chemical models are constructed that include gas-grain interactions. Models including accretion of gas-phase species onto dust grains and cosmic-ray-induced desorption of atoms are able to reproduce the observed anion-to-neutral ratios, as well as the absolute abundances of anionic and neutral carbon chains, with a reasonable degree of accuracy. Due to their destructive ef…
When Two Worlds Collide: How Collisions Between Silicate and Carbonaceous Nanograins can Drive Complex Chemistry
Universitat Autònoma de Barcelona（巴塞罗那自治大学）；Universitat de Barcelona（巴塞罗那大学）；Accademia delle Scienze di Torino（都灵科学院）；Institució Catalana de Recerca i Estudis Avançats (ICREA)（加泰罗尼亚研究与高级研究所）
Aims: For the first time we investigate the role of the grain surface chemistry in the Horsehead Photo-dissociation region (PDR). Methods: We performed deep observations of several H2CO rotational lines toward the PDR and its associated dense-core in the Horsehead nebula, where the dust is cold ($\Td \simeq 20-30$ K). We complemented these observations with a map of the p-H2CO $~3_{03}-2_{02}$ line at 218.2 GHz (with 12" angular resolution). We determine the H2CO abundances using a detailed radiative transfer analysis and compare these results with PDR models that include either pure gas-phase…
Mantles of iced water, mixed with CO, H2CO, and CH3OH are formed during the so called prestellar core phase. In addition, radicals are also thought to be formed on the grain surfaces, and to react to form complex organic molecules later on, during the warm-up phase of the protostellar evolution. We aim to study the formation of the grain mantles during the prestellar core phase and the abundance of H2CO, CH3OH, and radicals trapped in them. We have developed a macrosopic statistic multilayer model that follows the formation of grain mantles with time and that includes two effects that may incr…
Dust grains play a central role in the physics and chemistry of cosmic environments. They influence the optical and thermal properties of the medium due to their interaction with stellar radiation; provide surfaces for the chemical reactions that are responsible for the synthesis of a significant fraction of key astronomical molecules; and they are building blocks of pebbles, comets, asteroids, planetesimals, and planets. In this paper, we review experimental studies of physical and chemical processes, such as adsorption, desorption, diffusion, and reactions forming molecules, on the surface o…
Advanced telescopes, such as ALMA and JWST, are likely to show that the chemical universe may be even more complex than currently observed, requiring astrochemical modelers to improve their models to account for the impact of new data. However, essential input information for gas-grain models, such as binding energies of molecules to the surface, have been derived experimentally only for a handful of species, leaving hundreds of species with highly uncertain estimates. We present in this paper a systematic study of the effect of uncertainties in the binding energies on an astrochemical two-pha…
Testing various assumptions for radiolysis, non-diffusive chemistry, and chemical desorption in cold cores
Laboratoire d’astrophysique de Bordeaux, Univ. Bordeaux, CNRS（波尔多天体物理学实验室，波尔多大学，法国国家科学研究中心）；School of Astronomy & Space Science, Nanjing University（南京大学天文与空间科学学院）
We quantify if the chemical abundance gradients given by a dynamical model of core collapse including time-dependent changes in density and temperature differ greatly from abundances derived from static models, where the density and temperature structures of the core are kept fixed as the chemistry evolves. For this study we developed a new one-dimensional spherically symmetric hydrodynamics code that couples the hydrodynamics equations with a comprehensive time-dependent gas-grain chemical model, including deuterium and spin-state chemistry, and radiative transfer calculations to derive self-…
Computational models of interstellar gas-grain chemistry have historically adopted a single dust-grain size of 0.1 micron, assumed to be representative of the size distribution present in the interstellar medium. Here, we investigate the effects of a broad grain-size distribution on the chemistry on dust-grain surfaces and the subsequent build-up of molecular ices on the grains, using a three-phase gas-grain chemical model of a quiescent dark cloud. We include an explicit treatment of the grain temperatures, governed both by the visual extinction of the cloud and the size of each individual gr…
The first off-lattice Monte Carlo kinetics model of interstellar dust-grain surface chemistry is presented. The positions of all surface particles are determined explicitly, according to the local potential minima resulting from the pair-wise interactions of contiguous atoms and molecules, rather than by a pre-defined lattice structure. The model is capable of simulating chemical kinetics on any arbitrary dust-grain morphology, as determined by the user-defined positions of each individual dust-grain atom. A simple method is devised for the determination of the most likely diffusion pathways a…
Interstellar space hosts nanometre- to micron-sized dust grains. The carbonaceous-rich component of these grain populations emits in infrared bands, observed remotely for decades with telescopes and satellites. They are a key ingredient of astrochemical dust evolution. The precise carriers for most of these bands are still unknown and not well reproduced in the laboratory. In this work, we show the high-energy mechanochemical synthesis of disordered aromatic and aliphatic analogues provides interstellar relevant dust particles. The mechanochemical milling of carbon-based solids under a hydroge…
Grain surface chemistry and its treatment in gas-grain chemical models is an area of large uncertainty. Whilst laboratory experiments are making progress, there is still much that is unknown about grain surface chemistry. Further, the results and parameters produced by experiment are often not easily translated to the rate equation approach most commonly used in astrochemical modelling. It is possible that statistical methods can reduce the uncertainty in grain surface chemical networks. In this work, a simple model of grain surface chemistry in a molecular cloud is developed and a Bayesian in…
The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We apply the phyllosilicate forma…
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…
AGB stars are, together with supernovae, the main contributors of stellar dust to the interstellar medium (ISM). Dust grains formed by AGB stars are thought to be large. However, as dust nucleation and growth within their outflows are still not understood, the dust-grain size distribution (GSD) is unknown. This is an important uncertainty regarding our knowledge of the chemical and physical history of interstellar dust, as AGB dust forms $\sim$ 70% of the starting point of its evolution. We expand on our chemical kinetics model, which uniquely includes a comprehensive dust-gas chemistry. The G…
Molecules in space are synthesized via a large variety of gas-phase reactions, and reactions on dust-grain surfaces, where the surface acts as a catalyst. Especially, saturated, hydrogen-rich molecules are formed through surface chemistry. Astrochemical models have developed over the decades to understand the molecular processes in the interstellar medium, taking into account grain surface chemistry. However, essential input information for gas-grain models, such as binding energies of molecules to the surface, have been derived experimentally only for a handful of species, leaving hundreds of…
Hydride molecules lie at the base of interstellar chemistry, but the synthesis of sulfuretted hydrides is poorly understood. Motivated by new observations of the Orion Bar PDR - 1'' resolution ALMA images of SH+; IRAM 30m detections of H2S, H2S34, and H2S33; H3S+ (upper limits); and SOFIA observations of SH - we perform a systematic study of the chemistry of S-bearing hydrides. We determine their column densities using coupled excitation, radiative transfer as well as chemical formation and destruction models. We revise some of the key gas-phase reactions that lead to their chemical synthesis.…
Context. The abundances of many observed compounds in interstellar molecular clouds still lack an explanation, despite extensive research that includes both gas and solid (dust-grain surface) phase reactions. Aims. We aim to qualitatively prove the idea that a hydrogen-poor subsurface chemistry on interstellar grains is responsible for at least some of these chemical "anomalies". This chemistry develops in the icy mantles when photodissociation reactions in the mantle release free hydrogen, which escapes the mantle via diffusion. This results in serious alterations of the chemical composition …
Silicon is present in interstellar dust grains, meteorites and asteroids, and to date thirteen silicon-bearing molecules have been detected in the gas-phase towards late-type stars or molecular clouds, including silane and silane derivatives. In this work, we have experimentally studied the interaction between atomic silicon and hydrogen under physical conditions mimicking those at the atmosphere of evolved stars. We have found that the chemistry of Si, H and H$_2$ efficiently produces silane (SiH$_4$), disilane (Si$_2$H$_6$) and amorphous hydrogenated silicon (a-Si:H) grains. Silane has been …
Shocks are a crucial probe for understanding the ongoing chemistry within ices on interstellar dust grains where many complex organic molecules (COMs) are believed to be formed. However, previous work has been limited to the initial liberation into the gas phase through non-thermal desorption processes such as sputtering. Here, we present results from the adapted three-phase gas-grain chemical network code NAUTILUS, with the inclusion of additional high-temperature reactions, non-thermal desorption, collisional dust heating, and shock-physics parameters. This enhanced model is capable of repro…
A prevailing theory for the interstellar production of complex organic molecules (COMs) involves formation on warm dust-grain surfaces, via the diffusion and reaction of radicals produced through grain-surface photodissociation of stable molecules. However, some gas-phase O-bearing COMs, notably acetaldehyde(CH$_3$CHO), methyl formate(CH$_3$OCHO), and dimethyl ether(CH$_3$OCH$_3$), are now observed at very low temperatures, challenging the warm scenario. Here, we introduce a selection of new non-diffusive mechanisms into an astrochemical model, to account for the failure of the standard diffus…
Aims. We aim to present simulated chemical abundance profiles for a variety of important species, with special attention given to spin-state chemistry, in order to provide reference results against which present and future models can be compared. Methods. We employ gas-phase and gas-grain models to investigate chemical abundances in physical conditions corresponding to starless cores. To this end, we have developed new chemical reaction sets for both gas-phase and grain-surface chemistry, including the deuterated forms of species with up to six atoms and the spin-state chemistry of light ions …
The chemistry of proto-planetary disks is thought to be dominated by two major processes: photodissociation near the disk surface, and depletion on dust grains in the disk mid-plane, resulting in a layered structure with molecules located in a warm layer above the disk mid-plane. We attempt here to confront this warm molecular layer model prediction with the distribution of two key molecules for dissociation processes: CN and HCN. Using the IRAM Plateau de Bure interferometer, we obtained high spatial and spectral resolution images of the CN J=2-1 and HCN J=1-0 lines in the disks surrounding t…
Abridged: We detail and benchmark two sophisticated chemical models developed by the Heidelberg and Bordeaux astrochemistry groups. The main goal of this study is to elaborate on a few well-described tests for state-of-the-art astrochemical codes covering a range of physical conditions and chemical processes, in particular those aimed at constraining current and future interferometric observations of protoplanetary disks. We consider three physical models: a cold molecular cloud core, a hot core, and an outer region of a T Tauri disk. Our chemical network (for both models) is based on the orig…
H$_2$ Ortho-Para Spin Conversion on Inhomogeneous Grain Surfaces. II. impact of the rotational energy difference between adsorbed ortho-H$_2$ and para-H$_2$ and implication to deuterium fractionation chemistry
RIKEN Pioneering Research Institute（理化学研究所先锋研究本部）；Institute for Molecular Science（分子科学研究所）；National Astronomical Observatory of Japan（日本国立天文台）；The Graduate University for Advanced Studies (SOKENDAI)（综合研究大学院大学）；Hokkaido University（北海道大学）
We model the production of OH+, H2O+, and H3O+ in interstellar clouds, using a steady state photodissociation region code that treats the freeze-out of gas species, grain surface chemistry, and desorption of ices from grains. The code includes PAHs, which have important effects on the chemistry. All three ions generally have two peaks in abundance as a function of depth into the cloud, one at A_V<~1 and one at A_V~3-8, the exact values depending on the ratio of incident ultraviolet flux to gas density. For relatively low values of the incident far ultraviolet flux on the cloud (χ<~ 1000; χ= 1=…
Context: Complex molecules such as ethanol and dimethyl ether have been observed in a number of hot molecular cores and hot corinos. Attempts to model the molecular formation process using gas phase only models have so far been unsuccessful. Aims : To demonstrate that grain surface processing is a viable mechanism for complex molecule formation in these environments. Methods: A variable environment parameter computer model has been constructed which includes both gas and surface chemistry. This is used to investigate a variety of cloud collapse scenarios. Results: Comparison between model resu…
H2 formation remains a major issue for the understanding of interstellar physics. We investigate H2 formation in the interstellar medium at the light of the most recent experimental and theoretical data. We implemented detailed H2 formation mechanisms on grains surface in the Meudon PDR code : i) Langmuir-Hinshelwood mechanism taking into account the contribution of the different sizes of dust grains in the diffusion processes and ii) the Eley-Rideal mechanism. We show that, thanks to these processes, H2 can be formed even in regions where dust temperature is larger than 25 K. We also show tha…
Combining the co-evolving chemistry, hydrodynamics and radiative transfer is an important step for star formation studies. It allows both a better link to observations and a self-consistent monitoring of the magnetic dissipation in the collapsing core. Our aim is to follow a chemo-dynamical evolution of collapsing dense cores with a reduced gas-grain chemical network. We present the results of radiative hydrodynamic (RHD) simulations of 1 M$_\odot$ isolated dense core collapse. The physical setup includes RHD and dynamical evolution of a chemical network. To perform those simulations, we merge…
Many species of complex organic molecules (COMs) have been observed in several astrophysical environments but it is not clear how they are produced, particularly in cold, quiescent regions. One process that has been proposed as a means to enhance the chemical complexity of the gas phase in such regions is the explosion of the ice mantles of dust grains. In this process, a build up of chemical energy in the ice is released, sublimating the ices and producing a short lived phase of high density, high temperature gas. The gas-grain chemical code UCLCHEM has been modified to treat these explosions…
Grain surfaces play a central role in the formation and desorption of molecules in space. To form molecules on a grain surface, adsorbed species trapped in binding sites must be mobile and migrate to adjacent sites. Thermal hopping is a popular mechanism for the migration of adsorbed species when the grain surface is warmed up by stellar radiation. However, previous studies disregarded the fact that grains can be spun-up to suprathermal rotation by radiative torques (RATs) during grain heating process. To achieve an accurate model of surface astrochemistry, in this paper, we study the effect o…
We study the gravitational collapse of prestellar sources and the associated evolution of their chemical composition. We use the University of Grenoble Alpes Astrochemical Network (UGAN), which includes reactions involving the different nuclear--spin states of H2, H3+, and of the hydrides of carbon, nitrogen, oxygen, and sulfur, for reactions involving up to seven protons. In addition, species-to-species rate coefficients are provided for the ortho/para interconversion of the H3+ + H2 system and isotopic variants. The composition of the medium is followed from an initial steady state through t…
Earth's carbon deficit has been an outstanding problem in our understanding of the formation of our Solar System. A possible solution would be the sublimation of carbon grains at the so-called soot line (~300 K) early in the planet-formation process. Here, we argue that the most likely signatures of this process are an excess of hydrocarbons and nitriles inside the soot line, and a higher excitation temperature for these molecules compared to oxygen-bearing complex organics that desorb around the water snowline (~100 K). Such characteristics have been reported in the literature, for example, i…
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…
In recent years, organic molecules of increasing complexity have been found toward the prolific Galactic center source Sagittarius B2. We wish to explore the degree of complexity that the interstellar chemistry can reach in star-forming regions. We carried out a complete line survey of the hot cores Sgr B2(N) and (M) with the IRAM 30 m telescope in the 3 mm range. We analyzed this spectral survey in the LTE approximation. We modeled the emission of all known molecules simultaneously, which allows us to search for less abundant, more complex molecules. We compared the derived column densities w…
Aims. We investigate the dominant formation mechanism of H2CO and CH3OH in the Horsehead PDR and its associated dense core. Methods. We performed deep integrations of several H2CO and CH3OH lines at two positions in the Horsehead, namely the PDR and dense core, with the IRAM-30m telescope. In addition, we observed one H2CO higher frequency line with the CSO telescope at both positions. We determine the H2CO and CH3OH column densities and abundances from the single-dish observations complemented with IRAM-PdBI high-angular resolution maps (6") of both species. We compare the observed abundances…
Atoms and molecules, and in particular CO, are important coolants during the evolution of interstellar star-forming gas clouds. The presence of dust grains, which allow many chemical reactions to occur on their surfaces, strongly impacts the chemical composition of a cloud. At low temperatures, dust grains can lock-up species from the gas phase which freeze out and form ices. In this sense, dust can deplete important coolants. Our aim is to understand the effects of freeze-out on the thermal balance and the evolution of a gravitationally bound molecular cloud. For this purpose, we perform 3D h…
