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Register a new userCharacterizing the chemical pathways for water formation -- A deep search for hydrogen peroxide
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In 2011, hydrogen peroxide (HOOH) was observed for the first time outside the solar system (Bergman et al., A&A, 2011, 531, L8). This detection appeared a posteriori quite natural, as HOOH is an intermediate product in the formation of water on the surface of dust grains. Following up on this detection, we present a search for HOOH in a diverse sample of sources in different environments, including low-mass protostars and regions with very high column densities, such as Infrared Dark Clouds (IRDCs). We do not detect the molecule in any other source than Oph A, and derive 3$sigma$ upper limits for the abundance of HOOH relative to H$_2$ lower than in Oph A for most sources. This result sheds a different light on our understanding of the detection of HOOH in Oph A, and shifts the puzzle to why this source seems to be special. Therefore we rediscuss the detection of HOOH in Oph A, as well as the implications of the low abundance of HOOH, and its similarity with the case of O$_2$. Our chemical models show that the production of HOOH is extremely sensitive to the temperature, and favored only in the range 20$-$30 K. The relatively high abundance of HOOH observed in Oph A suggests that the bulk of the material lies at a temperature in the range 20$-$30 K.
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Context: In the laboratory, hydrogen peroxide (HOOH) was proven to be an intermediate product in the solid-state reaction scheme that leads to the formation of water on icy dust grains. When HOOH desorbs from the icy grains, it can be detected in the gas phase. In combination with water detections, it may provide additional information on the water reaction network. Hydrogen peroxide has previously been found toward $rho$ Oph A. However, further searches for this molecule in other sources failed. Hydrogen peroxide plays a fundamental role in the understanding of solid-state water formation and the overall water reservoir in young stellar objects (YSOs). Without further HOOH detections, it is difficult to assess and develop suitable chemical models that properly take into account the formation of water on icy surfaces. Aims: The objective of this work is to identify HOOH in YSOs and thereby constrain the grain surface water formation hypothesis. Methods: Using an astrochemical model based on previous work in combination with a physical model of YSOs, the sources R CrA-IRS,5A, NGCC1333-IRAS,2A, L1551-IRS,5, and L1544 were identified as suitable candidates for an HOOH detection. Long integration times on the APEX 12m and IRAM 30m telescopes were applied to search for HOOH signatures in these sources. Results: None of the four sources under investigation showed convincing spectral signatures of HOOH. The upper limit for HOOH abundance based on the noise level at the frequency positions of this molecule for the source R CrA-IRS,5A was close to the predicted value. For NGC1333-IRAS 2A, L1544, and L1551-IRS,5, the model overestimated the hydrogen peroxide abundances.
Water ice is abundant both astrophysically, for example in molecular clouds, and in planetary systems. The Kuiper belt objects, many satellites of the outer solar system, the nuclei of comets and some planetary rings are all known to be water-rich. Processing of water ice by energetic particles and ultraviolet photons plays an important role in astrochemistry. To explore the detailed nature of this processing, we have conducted a systematic laboratory study of the irradiation of crystalline water ice in an ultrahigh vacuum setup by energetic electrons holding a linear energy transfer of 4.3 +/- 0.1 keV mm-1. The irradiated samples were monitored during the experiment both on line and in situ via mass spectrometry (gas phase) and Fourier transform infrared spectroscopy (solid state). We observed the production of hydrogen and oxygen, both molecular and atomic, and of hydrogen peroxide. The likely reaction mechanisms responsible for these species are discussed. Additional formation routes were derived from the sublimation profiles of molecular hydrogen (90-140 K), molecular oxygen (147 -151 K) and hydrogen peroxide (170 K). We also present evidence on the involvement of hydroxyl radicals and possibly oxygen atoms as building blocks to yield hydrogen peroxide at low temperatures (12 K) and via a diffusion-controlled mechanism in the warming up phase of the irradiated sample.
A computed line list for hydrogen peroxide, H$_2{}^{16}$O$_2$, applicable to temperatures up to $T=1250$~K is presented. A semi-empirical high accuracy potential energy surface is constructed and used with an {it ab initio} dipole moment surface as input TROVE to compute 7.5 million rotational-vibrational states and around 20 billion transitions with associated Einstein-$A$ coefficients for rotational excitations up to $J=85$. The resulting APTY line list is complete for wavenumbers below 6~000 cm$^{-1}$ ($lambda < 1.67$~$mu$m) and temperatures up to 1250~K. Room-temperature spectra are compared with laboratory measurements and data currently available in the HITRAN database and literature. Our rms with line positions from the literature is 0.152 cm and our absolute intensities agree better than 10%. The full line list is available from the CDS databas
Fine-grained estimation of galaxy merger stages from observations is a key problem useful for validation of our current theoretical understanding of galaxy formation. To this end, we demonstrate a CNN-based regression model that is able to predict, for the first time, using a single image, the merger stage relative to the first perigee passage with a median error of 38.3 million years (Myrs) over a period of 400 Myrs. This model uses no specific dynamical modeling and learns only from simulated merger events. We show that our model provides reasonable estimates on real observations, approximately matching prior estimates provided by detailed dynamical modeling. We provide a preliminary interpretability analysis of our models, and demonstrate first steps toward calibrated uncertainty estimation.
Context. The formation of water on the dust grains in the interstellar medium may proceed with hydrogen peroxide (H2O2) as an intermediate. Recently gas-phase H2O2 has been detected in {rho} Oph A with an abundance of ~1E-10 relative to H2. Aims. We aim to reproduce the observed abundance of H2O2 and other species detected in {rho} Oph A quantitatively. Methods. We make use of a chemical network which includes gas phase reactions as well as processes on the grains; desorption from the grain surface through chemical reaction is also included. We run the model for a range of physical parameters. Results. The abundance of H2O2 can be best reproduced at ~6E5 yr, which is close to the dynamical age of {rho} Oph A. The abundances of other species such as H2CO, CH3OH, and O2 can be reasonably reproduced also at this time. In the early time the gas-phase abundance of H2O2 can be much higher than the current detected value. We predict a gas phase abundance of O2H at the same order of magnitude as H2O2, and an abundance of the order 1E-8 for gas phase water in {rho} Oph A. A few other species of interest are also discussed. Conclusions. We demonstrate that H2O2 can be produced on the dust grains and released into the gas phase through non-thermal desorption via surface exothermic reactions. The H2O2 molecule on the grain is an important intermediate in the formation of water. The fact that H2O2 is over-produced in the gas phase for a range of physical conditions suggests that its destruction channel in the current gas phase network may be incomplete.
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