Molecules and dust in Cas A: I - Synthesis in the supernova phase and processing by the reverse shock in the clumpy remnant

Aims: We study the chemistry of the Type IIb supernova ejecta that led to the Cas A supernova remnant to assess the chemical type and quantity of dust that forms and evolves in the remnant phase. We later model a dense oxygen-rich ejecta knot that is crossed by the reverse shock in Cas A to study the evolution of the clump gas phase and the possibility to reform dust clusters in the post-reverse shock gas. Methods: A chemical network including all processes efficient at high gas temperatures and densities is considered. The formation of key bimolecular species (CO, SiO) and dust clusters is described. Stiff, coupled, ordinary, differential equations are solved for the conditions pertaining to both the SN ejecta and the post-reverse shock gas. Results: We find that the ejecta of Type IIb SNe are unable to form large amounts of molecules and dust clusters as opposed to their Type II-P counterparts because of their diffuse ejecta. The gas density needs to be increased by several orders of magnitude to allow the formation of dust clusters. We show that the chemical composition of the dust clusters changes drastically and gains in chemical complexity with increasing gas density. Hence, the ejecta of the Cas A supernova progenitor must have been in the form of dense clumps to account for the dust chemical composition and masses inferred from infrared observations of Cas A. We show that the ejecta molecules in a clump that is processed by the reverse shock reform in the post-reverse shock gas with lower abundances than those of the initial ejecta clump, except SiO. These molecules include CO, SiS and O2. Dust clusters are destroyed by the reverse shock and do not reform in the post-reverse shock gas, even for the highest gas density. These results indicate that the synthesis of dust grains from the gas phase in the dense knots of Cas A and in other supernova remnants is unlikely.Comment: 11 pages, 8 figures, accepted for publication in A&

The formation of polycyclic aromatic hydrocarbons in evolved circumstellar environments

The formation of Polycyclic Aromatic Hydrocarbons in the circumstellar outflows of evolved stars is reviewed, with an emphasis on carbon stars on the Asymptotic Giant Branch. Evidence for PAHs present in their winds is provided by meteoritic studies and recent observations of the Unidentified Infrared bands. We detail the chemical processes leading to the closure of the first aromatic ring as well as the growth mechanisms leading to amorphous carbon grains. Existing studies on PAH formation in evolved stellar envelopes are reviewed and new results for the modelling of the inner wind of the archetype carbon star IRC+10216 are presented. Benzene, C6H6, forms close to the star, as well as water, H2O, as a result of non-equilibrium chemistry induced by the periodic passage of shocks. The growth process of aromatic rings may thus resemble that active in sooting flames due to the presence of radicals like hydroxyl, OH. Finally, we discuss possible formation processes for PAHs and aromatic compounds in the hydrogen-rich R CrB star, V854 Cen, and their implication for the carriers of the Red Emission and the Diffuse Interstellar Bands.Comment: 13 pages, 4 figures, Invited review at the conference 'PAHs and the Universe', Toulouse, France, June 201

Water in IRC+10216: a genuine formation process by shock-induced chemistry in the inner wind

Context: The presence of water in the wind of the extreme carbon star IRC+10216 has been confirmed by the Herschel telescope. The regions where the high-J H2O lines have been detected are close to the star at radii r \geq 15 R\ast. Aims: We investigate the formation of water and related molecules in the periodically-shocked inner layers of IRC+10216 where dust also forms and accelerates the wind. Methods: We describe the molecular formation by a chemical kinetic network involving carbon-and oxygen-based molecules. We then apply this network to the physical conditions pertaining to the dust-formation zone which experiences the passage of pulsation- driven shocks between 1 and 5 R\ast. We solve for a system of stiff, coupled, ordinary, and differential equations. Results: Non-equilibrium chemistry prevails in the dust-formation zone. H2O forms quickly above the photosphere from the synthesis of hydroxyl OH induced by the thermal fragmentation of CO in the hot post-shock gas. The derived abundance with respect to H2 at 5 R\ast is 1.4\times10-7, which excellently agrees the values derived from Herschel observations. The non-equilibrium formation process of water will be active whatever the stellar C/O ratio, and H2O should then be present in the wind acceleration zone of all stars on the Asymptotic Giant Branch.Comment: 5 pages, 2 figures. Accepted for publication in A&A Letter

Spectroscopic detection of Carbon Monoxide in the Young Supernova Remnant Cassiopeia A

We report the detection of carbon monoxide (CO) emission from the young supernova remnant Cassiopeia A (Cas A) at wavelengths corresponding to the fundamental vibrational mode at 4.65 micron. We obtained AKARI Infrared Camera spectra towards 4 positions which unambiguously reveal the broad characteristic CO ro-vibrational band profile. The observed positions include unshocked ejecta at the center, indicating that CO molecules form in the ejecta at an early phase. We extracted a dozen spectra across Cas A along the long 1 arcmin slits, and compared these to simple CO emission models in Local Thermodynamic Equilibrium to obtain first-order estimates of the excitation temperatures and CO masses involved. Our observations suggest that significant amounts of carbon may have been locked up in CO since the explosion 330 years ago. Surprisingly, CO has not been efficiently destroyed by reactions with ionized He or the energetic electrons created by the decay of the radiative nuclei. Our CO detection thus implies that less carbon is available to form carbonaceous dust in supernovae than is currently thought and that molecular gas could lock up a significant amount of heavy elements in supernova ejecta.Comment: ApJ Letter, 747, 6 and see http://www.ir.isas.jaxa.jp/AKARI/Outreach/results/PR2012_CasA/casa_e.htm

The Chemistry of Population III Supernova Ejecta. II. The Nucleation of Molecular Clusters as a Diagnostic for Dust in the Early Universe

We study the formation of molecular precursors to dust in the ejecta of Population III supernovae (Pop. III SNe) using a chemical kinetic approach to follow the evolution of small dust cluster abundances from day 100 to day 1000 after explosion. Our work focuses on zero-metallicity 20 M sun and 170 M sun progenitors, and we consider fully macroscopically mixed and unmixed ejecta. The dust precursors comprise molecular chains, rings, and small clusters of chemical composition relevant to the initial elemental composition of the ejecta under study. The nucleation stage for small silica, metal oxides and sulfides, pure metal, and carbon clusters is described with a new chemical reaction network highly relevant to the kinetic description of dust formation in hot circumstellar environments. We consider the effect of the pressure dependence of critical nucleation rates and test the impact of microscopically mixed He + on carbon dust formation. Two cases of metal depletion on silica clusters (full and no depletion) are considered to derive upper limits to the amounts of dust produced in SN ejecta at 1000 days, while the chemical composition of clusters gives a prescription for the type of dust formed in Pop. III SNe. We show that the cluster mass produced in the fully mixed ejecta of a 170 M sun progenitor is ~ 25 M sun whereas its 20 M sun counterpart forms ~ 0.16 M sun of clusters. The unmixed ejecta of a 170 M sun progenitor SN synthesize ~5.6 M sun of small clusters, while its 20 M sun counterpart produces ~0.103 M sun . Our results point to smaller amounts of dust formed in the ejecta of Pop. III SNe by a factor of ~ 5 compared to values derived by previous studies, and to different dust chemical compositions. Such deviations result from some erroneous assumptions made, the inappropriate use of classical nucleation theory to model dust formation, and the omission of the synthesis of molecules in SN ejecta. We also find that the unmixed ejecta of massive Pop. III SNe chiefly form silica and/or silicates, and pure silicon grains whereas their lower mass counterparts form a dust mixture dominated by silica and/or silicates, pure silicon, and iron sulfides. Amorphous carbon can only condense via the nucleation of carbon chains and rings characteristic of the synthesis of fullerenes when the ejecta carbon-rich zone is deprived of He + . The first dust enrichment to the primordial gas in the early universe from Pop. III massive SN comprises primarily pure silicon, silica, and silicates. If carbon dust is present at redshift z > 6, alternative dust sources must be considered

Molecules and dust in the ejecta of Type II-P supernovae

We study the formation of molecules and dust clusters in the ejecta of solar metallicity, Type II-P supernovae using a chemical kinetic approach and follow the evolution of molecules and small dust cluster masses from day 100 to day 1500 after explosion. We predict that large masses of molecules including CO, SiO, SiS, O2, and SO form in the ejecta. We show that the non-equilibrium chemistry results in a gradual build up of the dust mass from small (~10−5 M ⊙) to large values (~5×10−2 M ⊙) over a five-year period after explosion. This result provides a natural explanation to the discrepancy between the small dust masses detected at infrared wavelengths some 500 days post-explosion and the larger amounts of dust recently detected with the Herschel telescope in supernova remnant

Molecules in nearby and primordial supernovae

We present new chemical models of supernova (SN) ejecta based on a chemical kinetic approach. We focus on the formation of inorganic and organic molecules including gas phase dust precursors, and consider zero-metallicity progenitor, massive supernovae and nearby core-collapse supernovae such as SN1987A. We find that both types are forming large amounts of molecules in their ejecta at times as early as 200 days after explosion. Upper limits on the dust formation budget are derived. Our results on dust precursors do not agree with existing studies on dust condensation in SN ejecta. We conclude that PMSNe could be the first non-primodial molecule providers in the early universe, ejecting up to 34% of their progenitor mass under molecular form to the pristine, local ga

The inner wind of IRC+10216 revisited: New exotic chemistry and diagnostic for dust condensation in carbon stars

Aims. We model the chemistry of the inner wind of the carbon star IRC+10216 and consider the effect of periodic shocks induced by the stellar pulsation on the gas to follow the non-equilibrium chemistry in the shocked gas layers. We consider a very complete set of chemical families, including hydrocarbons and aromatics, hydrides, halogens and phosphorous-bearing species. Derived abundances are compared to the latest observational data from large surveys and Herschel. Results. The shocks induce a non-equilibrium chemistry in the dust formation zone of IRC+10216 where the collision destruction of CO in the post-shock gas triggers the formation of O-bearing species (H2O, SiO). Most of the modelled abundances agree very well with the latest values derived from Herschel data on IRC+10216. Hydrides form a family of abundant species that are expelled into the intermediate envelope. In particular, HF traps all the atomic fluorine in the dust formation zone. Halogens are also abundant and their chemistry is independent of the C/O ratio of the star. Therefore, HCl and other Cl-bearing species should also be present in the inner wind of O-rich AGB or supergiant stars. We identify a specific region ranging from 2.5 R* to 4 R*, where polycyclic aromatic hydrocarbons form and grow. The estimated carbon dust-to-gas mass ratio derived from the mass of aromatics ranges from 1.2 x 10^(-3) to 5.8 x 10^{-3} and agrees well with existing observational values. The aromatic formation region is located outside hot layers where SiC2 is produced as a bi-product of silicon carbide dust synthesis. Finally, we predict that some molecular lines will show flux variation with pulsation phase and time (e.g., H2O) while other species will not (e.g., CO). These variations merely reflect the non-equilibrium chemistry that destroys and reforms molecules over a pulsation period in the shocked gas of the dust formation zone.Comment: 15 pages, 10 figures. Accepted for publication in Astronomy & Astrophysic