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Register a new userWater deuteration and ortho-to-para nuclear spin ratio of H2 in molecular clouds formed via the accumulation of HI gas
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We investigate the water deuteration ratio and ortho-to-para nuclear spin ratio of H2 (OPR(H2)) during the formation and early evolution of a molecular cloud, following the scenario that accretion flows sweep and accumulate HI gas to form molecular clouds. We follow the physical evolution of post-shock materials using a one-dimensional shock model, with post-processing gas-ice chemistry simulations. This approach allows us to study the evolution of the OPR(H2) and water deuteration ratio without an arbitrary assumption concerning the initial molecular abundances, including the initial OPR(H2). When the conversion of hydrogen into H2 is almost complete, the OPR(H2) is already much smaller than the statistical value of three due to the spin conversion in the gas phase. As the gas accumulates, the OPR(H2) decreases in a non-equilibrium manner. We find that water ice can be deuterium-poor at the end of its main formation stage in the cloud, compared to water vapor observed in the vicinity of low-mass protostars where water ice is likely sublimated. If this is the case, the enrichment of deuterium in water should mostly occur at somewhat later evolutionary stages of star formation, i.e., cold prestellar/protostellar cores. The main mechanism to suppress water ice deuteration in the cloud is the cycle of photodissociation and reformation of water ice, which efficiently removes deuterium from water ice chemistry. The removal efficiency depends on the main formation pathway of water ice. The OPR(H2) plays a minor role in water ice deuteration at the main formation stage of water ice.
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The formation of stars and planetary systems is a complex phenomenon, which relies on the interplay of multiple physical processes. Nonetheless, it represents a crucial stage for our understanding of the Universe, and in particular of the conditions leading to the formation of key molecules (e.g. water) on comets and planets. {it Herschel} observations demonstrated that stars form out of gaseous filamentary structures in which the main constituent is molecular hydrogen (H$_2$). Depending on its nuclear spin H$_2$ can be found in two forms: `ortho with parallel spins and `para where the spins are anti-parallel. The relative ratio among these isomers, i.e.,the ortho-to-para ratio (OPR), plays a crucial role in a variety of processes related to the thermodynamics of star-forming gas and to the fundamental chemistry affecting the formation of water in molecular clouds and its subsequent deuteration, commonly used to determine the origin of water in Solar Systems bodies. Here, for the first time, we assess the evolution of the OPR starting from the warm neutral medium, by means of state-of-the-art three-dimensional magneto-hydrodynamic simulations of turbulent molecular clouds. Our results show that star-forming clouds exhibit a low OPR ($ll 0.1$) already at moderate densities ($sim$1000 cm$^{-3}$). We also constrain the cosmic rays ionisation rate, finding that $10^{-16},rm s^{-1}$ is the lower limit required to explain the observations of diffuse clouds. Our results represent a step forward in the understanding of the star and planet formation process providing a robust determination of the chemical initial conditions for both theoretical and observational studies.
Despite the low elemental deuterium abundance in the Galaxy, enhanced molecular D/H ratios have been found in the environments of low-mass star forming regions, and in particular the Class 0 protostar IRAS 16293-2422. The CHESS (Chemical HErschel Surveys of Star forming regions) Key Program aims at studying the molecular complexity of the interstellar medium. The high sensitivity and spectral resolution of the HIFI instrument provide a unique opportunity to observe the fundamental 1,1,1 - 0,0,0 transition of the ortho-D2O molecule, inaccessible from the ground, and to determine the ortho-to-para D2O ratio. We have detected the fundamental transition of the ortho-D2O molecule at 607.35 GHz towards IRAS 16293-2422. The line is seen in absorption with a line opacity of 0.62 +/- 0.11 (1 sigma). From the previous ground-based observations of the fundamental 1,1,0 - 1,0,1 transition of para-D2O seen in absorption at 316.80 GHz we estimate a line opacity of 0.26 +/- 0.05 (1 sigma). We show that the observed absorption is caused by the cold gas in the envelope of the protostar. Using these new observations, we estimate for the first time the ortho to para D2O ratio to be lower than 2.6 at a 3 sigma level of uncertainty, to be compared with the thermal equilibrium value of 2:1.
We present Herschel/HIFI observations of 30 transitions of water isotopologues toward the high-mass star forming region NGC 6334 I. The line profiles of H_2^{16}O, H_2^{17}O, H_2^{18}O, and HDO show a complex pattern of emission and absorption components associated with the embedded hot cores, a lower-density envelope, two outflow components, and several foreground clouds, some associated with the NGC 6334 complex, others seen in projection against the strong continuum background of the source. Our analysis reveals an H2O ortho/para ratio of 3 +/- 0.5 in the foreground clouds, as well as the outflow. The water abundance varies from ~10^{-8} in the foreground clouds and the outer envelope to ~10^{-6} in the hot core. The hot core abundance is two orders of magnitude below the chemical model predictions for dense, warm gas, but within the range of values found in other Herschel/HIFI studies of hot cores and hot corinos. This may be related to the relatively low gas and dust temperature (~100 K), or time dependent effects, resulting in a significant fraction of water molecules still locked up in dust grain mantles. The HDO/H_2O ratio in NGC 6334 I, ~2 10^{-4}, is also relatively low, but within the range found in other high-mass star forming regions.
The H2 molecule has two nuclear spin isomers, the so-called ortho and para isomers. Nuclear spin conversion (NSC) between these states is forbidden in the gas phase. The energy difference between the lowest ortho and para states is as large as 14.7 meV, corresponding to ~170 K. Therefore, each state of H2 differently affects not only the chemistry but also the macroscopic gas dynamics in space, and thus, the ortho-to-para abundance ratio (OPR) of H2 has significant impacts on various astronomical phenomena. For a long time, the OPR of nascent H2 upon formation on dust grains has been assumed to have a statistical value of three and to gradually equilibrate in the gas phase at the temperature of the circumstances. Recently, NSC of H2 was experimentally revealed to occur on water ice at very low temperatures and thus incorporated into gas-dust chemical models. However, H2 molecules should form well before dust grains are coated by water ice. Information about how the OPR of H2 behaves on bare silicate dust before ice-mantle formation is lacking. Knowing the influence of the OPR of H2 if the OPR changes even on a bare silicate surface within an astronomically meaningful time scale is desirable. We report the first laboratory measurements of NSC of H2 physisorbed on amorphous silicate (Mg2SiO4) at temperatures up to 18 K. The conversion was found to occur very rapidly.
We present near-infrared (2.5-5.0 {mu}m) spectral studies of shocked H2 gas in the two supernova remnants IC 443 and HB 21, which are well known for their interactions with nearby molecular clouds. The observations were performed with Infrared Camera (IRC) aboard the AKARI satellite. At the energy range 7000 K <= E(v,J) <= 20000 K, the shocked H2 gas in IC 443 shows an ortho-to-para ratio (OPR) of 2.4+0.3-0.2, which is significantly lower than the equilibrium value 3, suggesting the existence of non-equilibrium OPR. The shocked gas in HB 21 also indicates a potential non-equilibrium OPR in the range of 1.8-2.0. The level populations are well described by the power-law thermal admixture model with a single OPR, where the temperature integration range is 1000-4000 K. We conclude that the obtained non-equilibrium OPR probably originates from the reformed H2 gas of dissociative J-shocks, considering several factors such as the shock combination requirement, the line ratios, and the possibility that H2 gas can form on grains with a non-equilibrium OPR. We also investigate C-shocks and partially-dissociative J-shocks for the origin of the non-equilibrium OPR. However, we find that they are incompatible with the observed ionic emission lines for which dissociative J-shocks are required to explain. The difference in the collision energy of H atoms on grain surfaces would make the observed difference between the OPRs of IC 443 and HB 21, if dissociative J-shocks are responsible for the H2 emission. Our study suggests that dissociative J-shocks can make shocked H2 gas with a non-equilibrium OPR.
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