Chemistry and IR emission of acetylene in planet-forming regions of T Tauri disks. Impact of elemental abundances and dust properties

TL;DR

This study uses advanced thermochemical modeling to analyze how elemental abundances and dust properties influence mid-infrared emissions of acetylene and water in T Tauri disks, aiding interpretation of JWST observations.

Contribution

It introduces improved modeling of organics in inner disks, linking emission flux ratios to elemental abundances and dust characteristics, and compares predictions with JWST data.

Findings

C2H2 fluxes are consistent with a solar C/O ratio in T Tauri disks.

Enhanced O/H abundance reduces acetylene emission due to excess atomic oxygen.

Line flux ratios are influenced by dust grain size distribution, with small grains favoring C2H2 flux.

Abstract

(Abridged) We aim to explore the parameters that influence the mid-infrared emission of C$_2$H$_2$ and H$_2$O, and if the spread observed in $F\rm{_{C_2H_2}}$/$F\rm{_{H_2O}}$ is tracing a variation of the C/O ratio. Our work is based on the DALI 2D thermochemical model to predict spectra readily comparable to JWST/MIRI observations. To robustly model organics in inner disks, several improvements have been made: (1) carbon chemistry adapted for warm environments, (2) updated UV shielding treatment, and (3) mutual line overlap in the raytracing. We are able to reproduce the observed C$_2$H$_2$ fluxes of T Tauri disks with a solar C/O ratio. Acetylene abundance is primarily set by a balance between formation initiated by CO dissociation by X-rays and destruction of carbon chains by atomic oxygen, the latter being generated by X-ray-induced destruction of H$_2$O and CO. The water UV shielding and hot temperatures of the inner disk also favor acetylene formation, as they prevent the destruction of carbon chains and allow overcoming activation barriers of reactions with H$_2$. C$_2$H$_2$ and H$_2$O emissions are not only sensitive to the C/O ratio but also to the total O/H elemental abundance, supporting recent claims. In particular, we find that enhanced O/H reduces acetylene emission due to an excess of atomic oxygen. $F_{\rm{C_2H_2}}$/$F_{\rm{H_2O}}$ is thus a promising tracer of the elemental composition of inner disks. Still, the dust size distribution also plays a key role in this line flux ratio. We find that increasing the abundance of small grains relative to large grains favors C$_2$H$_2$ flux over H$_2$O flux. Grain depletion does not affect the line flux ratio as previously suggested by observational works. A preliminary comparison with published JWST observations indicates a gas-phase C/O ratio below unity and suggests that enhanced O/H ratios may be common in T Tauri disks.