Candidate carriers and synthetic spectra of the 21- and 30-mu protoplanetary nebular bands

Computational chemistry is used here to determine the vibrational line spectrum of several candidate molecules. It is shown that the thiourea functional group, associated with various carbonaceous structures (mainly compact and linear aromatic clusters), is able to mimic the 21-$\mu$m band emitted by a number of proto-planetary nebulae. The combination of nitrogen and sulphur in thiourea is the essential source of emission in this model: the band disappears if these species are replaced by carbon. The astronomical 21-$\mu$m feature extends redward to merge with another prominent band peaking between 25 and 30 $\mu$m, also known as the 30-$\mu$m band. It is found that the latter can be modelled by the combined spectra of aliphatic chains, made of CH$_{2}$ groups, oxygen bridges and OH groups, which provide the 30-$\mu$m emission. The absence of oxygen all but extinguishes the 30-$\mu$m emission. The emission between the 21- and 30-$\mu$m bands is provided mainly by thiourea attached to linear aromatic clusters. The chemical software reveals that the essential role of the heteroatoms N, S and O stems from their large electronic charge. It also allows to determine the type of atomic vibration responsible for the different lines of each structure, which helps selecting the most relevant structures. A total of 22 structures have been selected here, but their list is far from being exhaustive; they are only intended as examples of 3 generic classes. When background dust emission is added, model spectra are obtained, which are able to satisfactorily reproduce recent observations of proto-planetary nebulae. The relative numbers of atomic species used in this model are typically H:C:O:N:S=53:36:8:2:1.Comment: 9 pages, 14 figure

Formation of hydrogen peroxide and water from the reaction of cold hydrogen atoms with solid oxygen at 10K

The reactions of cold H atoms with solid O2 molecules were investigated at 10 K. The formation of H2O2 and H2O has been confirmed by in-situ infrared spectroscopy. We found that the reaction proceeds very efficiently and obtained the effective reaction rates. This is the first clear experimental evidence of the formation of water molecules under conditions mimicking those found in cold interstellar molecular clouds. Based on the experimental results, we discuss the reaction mechanism and astrophysical implications.Comment: 12 pages, 3 Postscript figures, use package amsmath, amssymb, graphic

THE MECHANISM OF SURFACE DIFFUSION OF H AND D ATOMS ON AMORPHOUS SOLID WATER: EXISTENCE OF VARIOUS POTENTIAL SITES

To understand elementary processes leading to H{sub 2} formation, and the hydrogenation and deuteration reactions of adsorbed species on dust grains in dense clouds, we experimentally investigated the diffusion of atomic hydrogen and deuterium on amorphous solid water (ASW) at temperatures of 8-15 K. The present study extended our previous study for selective detections of H and D atoms, and of H{sub 2} (J = 0 and 1) and D{sub 2} (J = 0 and 1) molecules adsorbed on ASW using both photo-stimulated desorption and resonance-enhanced multiphoton ionization, to investigate potential sites on ASW for diffusion, recombination dynamics, and the diffusion mechanism of H and D atoms. Our results demonstrate that the ASW surface contains various potential sites that can be categorized into at least three groups: very shallow, middle-, and deep-potential sites, with diffusion activation energies of { =}30 meV, respectively. The present study pictured the outline of H{sub 2} formation on cosmic ice dust at low temperatures: H atoms landing on the dust will diffuse rapidly at the abundant shallow and middle sites on ASW, and finally become trapped at deep sites. The H atoms that arrive next recombine with suchmore » trapped H atoms to yield H{sub 2} molecules. The small isotopic difference between the diffusion of H and D atoms on ASW indicates that the diffusion mechanism can be explained by thermal hopping, at least at middle-potential sites.« les

Formation of Dust in the Ejecta of Type Ia Supernovae

We investigate the formation of dust grains in the ejecta of Type Ia supernovae (SNe Ia), adopting the carbon-deflagration W7 model. In the calculations of dust formation, we apply the nucleation and grain growth theory and consider the two cases with and without formation of CO and SiO molecules. The results of the calculations show that for the sticking probability of alpha_j=1, C, silicate, Si, and FeS grains can condense at early times of ~100--300 days after the explosion, whereas Fe and SiC grains cannot form substantially. Due to the low gas density in SNe Ia with no H-envelope, the average radii of the newly formed grains are generally below 0.01 micron, being much smaller than those in Type II-P SNe. This supports our previous conclusion that the radius of dust formed in the ejecta is smaller in SNe with less massive envelopes. The total dust mass ranges from 3x10^{-4} M_sun to 0.2 M_sun for alpha_j=0.1--1, depending on whether or not CO and SiO molecules are formed. We also estimate the optical depths and thermal emission by the newly formed dust and compare to the relevant observations of SNe Ia. We find that the formation of C grains in SNe Ia is suppressed to be consistent with the observational constraints. This implies that energetic photons and electrons heavily depress the formation efficiency of C grains or that the outermost C-O layer of SNe Ia is almost fully burned. Finally, we perform the calculations of dust destruction in the SN remnants and find that dust grains formed in the ejecta of SNe Ia are almost completely destroyed in the shocked gas before being injected into the interstellar medium. This indicates that SNe Ia are unlikely to be the major sources of interstellar dust.Comment: 13 pages, 7 figures, 2 tables. Accepted for publication in Ap

Silicon carbide absorption features: dust formation in the outflows of extreme carbon stars

Infrared carbon stars without visible counterparts are generally known as extreme carbon stars. We have selected a subset of these stars with absorption features in the 10-13 $\mu$m range, which has been tentatively attributed to silicon carbide (SiC). We add three new objects meeting these criterion to the seven previously known, bringing our total sample to ten sources. We also present the result of radiative transfer modeling for these stars, comparing these results to those of previous studies. In order to constrain model parameters, we use published mass-loss rates, expansion velocities and theoretical dust condensation models to determine the dust condensation temperature. These show that the inner dust temperatures of the dust shells for these sources are significantly higher than previously assumed. This also implies that the dominant dust species should be graphite instead of amorphous carbon. In combination with the higher condensation temperature we show that this results in a much higher acceleration of the dust grains than would be expected from previous work. Our model results suggest that the very optically thick stage of evolution does not coincide with the timescales for the superwind, but rather, that this is a very short-lived phase. Additionally, we compare model and observational parameters in an attempt to find any correlations. Finally, we show that the spectrum of one source, IRAS 17534$-$3030, strongly implies that the 10-13 $\mu$m feature is due to a solid state rather than a molecular species.Comment: 13 Figure

The 21 micron and 30 micron circumstellar dust features in evolved C-rich objects

The 21micron and 30micron bands are the strongest dust emission features detected in evolved low- and intermediate-mass C-rich stars (i.e. asymptotic giant branch [AGB] stars, proto-planetary nebulae [PPN], and planetary nebulae [PN]). While the 21micron feature is rare and exists only in the transient PPN phase, the 30micron feature is more common and seen in the entire late stage of stellar evolution, from AGB to PPN and PN phases, as well as in the low-metallicity galaxies: the Large Magellanic Cloud (LMC) and the Small Magellanic Cloud (SMC). The carriers of these features remain unidentified. Eleven of the twelve well-identified 21micron sources also emit in the 30micron band, suggesting that their carriers may be somewhat related.Comment: 7 pages, 1 figure, uses eps.cls. Accepted for publication in "Earth, Planets and Space" (special issue on Cosmic Dust

On the Carriers of the 21 Micron Emission Feature in Post-Asymptotic Giant Branch Stars

The mysterious 21micron emission feature seen in sixteen C-rich proto-planetary nebulae (PPNe) remains unidentified since its discovery in 1989. Over a dozen of materials are suggested as the carrier candidates. In this work we quantitatively investigate eight inorganic and one organic carrier candidates in terms of elemental abundance constraints, while previous studies mostly focus on their spectral profiles (which could be largely affected by grain size, shape and clustering effects). It is found that: (1) five candidates (TiC nanoclusters, fullerenes coordinated with Ti atoms, SiS$_2$, doped-SiC, and SiO$_2$-coated SiC dust) violate the abundance constraints (i.e. they require too much Ti, S or Si to account for the emission power of the 21micron band, (2) three candidates (carbon and silicon mixtures, Fe$_2$O$_3$, and Fe$_3$O$_4$),while satisfying the abundance constraints, exhibit secondary features which are not detected in the 21micron sources, and (3) nano FeO, neither exceeding the abundance budget nor producing undetected secondary features, seems to be a viable candidate, supporting the suggestions of Posch et al. 2004.Comment: 12 pages, 2 figures, accepted for publication in MNRA

Presolar grains from meteorites: Remnants from the early times of the solar system

This review provides an introduction to presolar grains - preserved stardust from the interstellar molecular cloud from which our solar system formed - found in primitive meteorites. We describe the search for the presolar components, the currently known presolar mineral populations, and the chemical and isotopic characteristics of the grains and dust-forming stars to identify the grains' most probable stellar sources. Keywords: presolar grains, interstellar dust, asymptotic giant branch (AGB) stars, novae, supernovae, nucleosynthesis, isotopic ratios, meteoritesComment: 71 pages, 24 figures, 9 tables. Invited review. to appear in Chemie der Erd

Kinetic theory of steady chemical nucleation in the gas phase

We develop a kinetic theory of nucleation involving chemical reactions in the gas phase. For the basis of deriving the chemical nucleation rate, chemical kinetic considerations are presented on the steady current density and the effective rate constants of the overall reaction, which is a sum of a sequential elementary reactions. We formulate the steady rate of chemical nucleation in a multi-component vapor, in which nucleation occurs via the chemical reactions yielding a condensate having a stoichiometric composition. An exact expression of the steady nucleation rate is given together with its approximate formulas for practical applications. The present formulation is not concerned with any particular cluster model. The supersaturation ratio for a many-component vapor is defined so as to be a natural extension of that for a one-component vapor. It is shown that the transition probabilities due to growth and decay of the clusters are of the same form as the growth and evaporation rates in a one-component vapor