No Arabic abstract
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 experimental constraints on the energy barriers for diffusion and desorption and for the density of adsorption sites on the grain surface, H2, HD and D2 molecules can be formed efficiently on dust grains. Under a broad range of conditions, the moment equation results coincide with those obtained from the rate equations. However, in a range of relatively high grain temperatures, there are significant deviations. In this range, the rate equations fail while the moment equations provide accurate results. The incorporation of the moment equations into the PDR code can be extended to other reactions taking place on grain surfaces.
Our main purpose is to estimate the effect of assuming uniform density on the line-of-sight in PDR chemistry models, compared to a more realistic distribution for which total gas densities may well vary by several orders of magnitude. A secondary goal of this paper is to estimate the amount of molecular hydrogen which is not properly traced by the CO (J = 1 -> 0) line, the so-called dark molecular gas. We use results from a magnetohydrodynamical (MHD) simulation as a model for the density structures found in a turbulent diffuse ISM with no star-formation activity. The Meudon PDR code is then applied to a number of lines of sight through this model, to derive their chemical structures. It is found that, compared to the uniform density assumption, maximal chemical abundances for H2, CO, CH and CN are increased by a factor 2 to 4 when taking into account density fluctuations on the line of sight. The correlations between column densities of CO, CH and CN with respect to those of H2 are also found to be in better overall agreement with observations. For instance, at N(H2) > 2.10^{20} cm-2, while observations suggest that d[log N(CO)]=d[log N(H2)] = 3.07 +/- 0.73, we find d[log N(CO)]=d[log N(H2)] =14 when assuming uniform density, and d[log N(CO)]=d[log N(H2)] = 5.2 when including density fluctuations.
Recent Herschel and ALMA observations of Photodissociation Regions (PDRs) have revealed the presence of a high thermal pressure (P ~ 10^7-10^8 K cm-3) thin compressed layer at the PDR surface where warm molecular tracer emission (e.g. CH+, SH+, high-J CO, H2,...) originate. These high pressures (unbalanced by the surrounding environment) and a correlation between pressure and incident FUV field (G0) seem to indicate a dynamical origin with the radiation field playing an important role in driving the dynamics. We investigate whether photoevaporation of the illuminated edge of a molecular cloud could explain these high pressures and pressure-UV field correlation. We developed a 1D hydrodynamical PDR code coupling hydrodynamics, EUV and FUV radiative transfer and time-dependent thermo-chemical evolution. We applied it to a 1D plane-parallel photoevaporation scenario where a UV-illuminated molecular cloud can freely evaporate in a surrounding low-pressure medium. We find that photoevaporation can produce high thermal pressures and the observed P-G0 correlation, almost independently from the initial gas density. In addition, we find that constant-pressure PDR models are a better approximation to the structure of photoevaporating PDRs than constant-density PDR models, although moderate pressure gradients are present. Strong density gradients from the molecular to the neutral atomic region are found, which naturally explain the large density contrasts (1-2 orders of magnitude) derived from observations of different tracers. The photoevaporating PDR is preceded by a low velocity shock (a few km/s) propagating into the molecular cloud. Photoevaporating PDR models offer a promising explanation to the recent observational evidence of dynamical effects in PDRs.
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 Orion Bar clumps thus appear as a good environment for the observational study of deuterium fractionation in luke-warm gas, allowing to validate chemistry models in a different temperature range, where dominating fractionation processes are predicted to be different than in cold gas (< 20K). We aimed at studying observationally in detail the chemistry at work in the Orion Bar PDR, to understand if DCN is produced by ice mantle evaporation, or is the result of warm gas-phase chemistry, involving the CH2D+ precursor ion (which survives higher temperatures than the usual H2D+ precursor). Using the APEX and the IRAM 30m telescopes, we targetted selected deuterated species towards two clumps in the Orion Bar. We confirmed the detection of DCN and detected two new deuterated molecules (DCO+ and HDCO) towards one clump in the Orion Bar PDR. Significant deuterium fractionations are found for HCN and H2CO, but a low fractionation in HCO+. We also give upper limits for other molecules relevant for the deuterium chemistry. (...) We show evidence that warm deuterium chemistry driven by CH2D+ is at work in the clumps.
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 controlled by the binding energy. Recent theoretical and experimental works point towards a distribution of values for this parameter instead of the single value often employed in astrochemical models.We present here a new multi-binding energy framework, to assess the effects that a distribution of binding energies has on the amount of species bound to the grains. We find that the efficiency of the surface chemistry is significantly influenced by this process with crucial consequences on the theoretical estimates of the desorbed species.
Context. Water together with O2 are important gas phase ingredients to cool dense gas in order to form stars. On dust grains, H2 O is an important constituent of the icy mantle in which a complex chemistry is taking place, as revealed by hot core observations. The formation of water can occur on dust grain surfaces, and can impact gas phase composition. Aims. The formation of molecules such as OH, H2 O, HO2, H2 O2, as well as their deuterated forms and O2 and O3 is studied in order to assess how the chemistry varies in different astrophysical environments, and how the gas phase is affected by grain surface chemistry. Methods. We use Monte Carlo simulations to follow the formation of molecules on bare grains as well as the fraction of molecules released into the gas phase. We consider a surface reaction network, based on gas phase reactions, as well as UV photo-dissociation of the chemical species. Results. We show that grain surface chemistry has a strong impact on gas phase chemistry, and that this chemistry is very different for different dust grain temperatures. Low temperatures favor hydrogenation, while higher temperatures favor oxygenation. Also, UV photons dissociate the molecules on the surface, that can reform subsequently. The formation-destruction cycle increases the amount of species released into the gas phase. We also determine the time scales to form ices in diffuse and dense clouds, and show that ices are formed only in shielded environments, as supported by observations.