We present an extension of the code ProDiMo that allows for a modeling of processes pertinent to active galactic nuclei and to an ambient chemistry that is time dependent. We present a proof-of-concept and focus on a few astrophysically relevant spec
ies, e.g., H+, H2+ and H3+; C+ and N+; C and O; CO and H2O; OH+, H2O+ and H3O+; HCN and HCO+. We find that the freeze-out of water is strongly suppressed and that this affects the bulk of the oxygen and carbon chemistry occurring in AGN. The commonly used AGN tracer HCN/HCO+ is strongly time-dependent, with ratios that vary over orders of magnitude for times longer than 10^4 years. Through ALMA observations this ratio can be used to probe how the narrow-line region evolves under large fluctuations in the SMBH accretion rate. Strong evolutionary trends, on time scales of 10^4-10^8 years, are also found in species such as H3O+, CO, and H2O. These reflect, respectively, time dependent effects in the ionization balance, the transient nature of the production of molecular gas, and the freeze-out/sublimation of water.
Most of the mass in protoplanetary disks is in the form of gas. The study of the gas and its diagnostics is of fundamental importance in order to achieve a detailed description of the thermal and chemical structure of the disk. The radiation from the
central star (from optical to X-ray wavelengths) and viscous accretion are the main source of energy and dominates the disk physics and chemistry in its early stages. This is the environment in which the first phases of planet formation will proceed. We investigate how stellar and disk parameters impact the fine-structure cooling lines [NeII], [ArII], [OI], [CII] and H2O rotational lines in the disk. These lines are potentially powerful diagnostics of the disk structure and their modelling permits a thorough interpretation of the observations carried out with instrumental facilities such as Spitzer and Herschel. Following Aresu et al. (2011), we computed a grid of 240 disk models, in which the X-ray luminosity, UV-excess luminosity, minimum dust grain size, dust size distribution power law and surface density distribution power law, are systematically varied. We solve self-consistently for the disk vertical hydrostatic structure in every model and apply detailed line radiative transfer to calculate line fluxes and profiles for a series of well known mid- and far-infrared cooling lines. The [OI] 63 micron line flux increases with increasing FUV luminosity when Lx < 1e30 erg/s, and with increasing X-ray luminosity when LX > 1e30 erg/s. [CII] 157 micron is mainly driven by FUV luminosity via C+ production, X-rays affect the line flux to a lesser extent. [NeII] 12.8 micron correlates with X-rays; the line profile emitted from the disk atmosphere shows a double-peaked component, caused by emission in the static disk atmosphere, next to a high velocity double-peaked component, caused by emission in the very inner rim. (abridged)
The material that formed the present-day Solar System originated in feeding zones in the inner Solar Nebula located at distances within ~20 AU from the Sun, known as the planet-forming zone. Meteoritic and cometary material contain abundant evidence
for the presence of a rich and active chemistry in the planet-forming zone during the gas-rich phase of Solar System formation. It is a natural conjecture that analogs can be found amoung the zoo of protoplanetary disks around nearby young stars. The study of the chemistry and dynamics of planet formation requires: 1) tracers of dense gas at 100-1000 K and 2) imaging capabilities of such tracers with 5-100 (0.5-20 AU) milli-arcsec resolution, corresponding to the planet-forming zone at the distance of the closest star-forming regions. Recognizing that the rich infrared (2-200 micron) molecular spectrum recently discovered to be common in protoplanetary disks represents such a tracer, we present a new general raytracing code, RADLite, that is optimized for producing infrared line spectra and images from axisymmetric structures. RADLite can consistently deal with a wide range of velocity gradients, such as those typical for the inner regions of protoplanetary disks. The code is intended as a backend for chemical and excitation codes, and can rapidly produce spectra of thousands of lines for grids of models for comparison with observations. Such radiative transfer tools will be crucial for constraining both the structure and chemistry of planet-forming regions, including data from current infrared imaging spectrometers and extending to the Atacama Large Millimeter Array and the next generation of Extremely Large Telescopes, the James Webb Space Telescope and beyond.
