Consistent dust and gas models for protoplanetary disks: II. Chemical networks and rates

Abstract

Aims. We define a small and large chemical network which can be used for the quantitative simultaneous analysis of molecular emission from the near-IR to the submm. We revise reactions of excited molecular hydrogen, which are not included in UMIST, to provide a homogeneous database for future applications. Methods. We use the thermo-chemical disk modeling code ProDiMo and a standard T Tauri disk model to evaluate the impact of various chemical networks, reaction rate databases and sets of adsorption energies on a large sample of chemical species and emerging line fluxes from the near-IR to the submm wavelength range. Results. We find large differences in the masses and radial distribution of ice reservoirs when considering freeze-out on bare or polar ice coated grains. Most strongly the ammonia ice mass and the location of the snow line (water) change. As a consequence molecules associated to the ice lines such as N2H+ change their emitting region; none of the line fluxes in the sample considered here changes by more than 25% except CO isotopologues, CN and N2H+ lines. The three-body reaction N+H2+M plays a key role in the formation of water in the outer disk. Besides that, differences between the UMIST 2006 and 2012 database change line fluxes in the sample considered here by less than a factor 2 (a subset of low excitation CO and fine structure lines stays even within 25%); exceptions are OH, CN, HCN, HCO+ and N2H+ lines. However, different networks such as OSU and KIDA 2011 lead to pronounced differences in the chemistry inside 100 au and thus affect emission lines from high excitation CO, OH and CN lines. H2 is easily excited at the disk surface and state-to-state reactions enhance the abundance of CH+ and to a lesser extent HCO+. For sub-mm lines of HCN, N2H+ and HCO+, a more complex larger network is recommended. ABBREVIATED

arXiv commentaccepted for publication in A&A

References in corpus (47)

• An atomic and molecular database for analysis of submillimetre line observations
• The UMIST database for astrochemistry 2012
• Formation of methyl formate and other organic species in the warm-up phase of hot molecular cores
• A KInetic Database for Astrochemistry (KIDA)
• Photodissociation and photoionisation of atoms and molecules of astrophysical interest
• Radiation thermo-chemical models of protoplanetary disks I. Hydrostatic disk structure and inner rim
• Water, O2 and Ice in Molecular Clouds
• Consistent dust and gas models for protoplanetary disks. I. Disk shape, dust settling, opacities, and PAHs
• Imaging of the CO Snow Line in a Solar Nebula Analog
• Photoprocesses in protoplanetary disks
• Dielectronic recombination data for dynamic finite-density plasmas I. Goals and methodology
• Organic molecules in protoplanetary disks around TTauri and HerbigAe stars
• Radiative recombination data for modelling dynamic finite-density plasmas
• Disk Imaging Survey of Chemistry with SMA (DISCS): I. Taurus Protoplanetary Disk Data
• The chemistry of vibrationally excited H2 in the interstellar medium
• Multiwavelength optical properties of compact dust aggregates in protoplanetary disks
• Molecular Hydrogen Emission from Protoplanetary Disks
• Reduction of chemical networks. II. Analysis of the fractional ionisation in protoplanetary discs
• Radiation thermo-chemical models of protoplanetary disks II. Line diagnostics
• DIGIT survey of far-infrared lines from protoplanetary disks I
• Formation of Water in the Warm Atmospheres of Protoplanetary Disks
• Continuum and CO/HCO+ Emission from the Disk Around the T Tauri Star LkCa 15
• PAH chemistry and IR emission from circumstellar disks
• Formation of simple organic molecules in inner T Tauri disks
• Two-dimensional Distributions and Column Densities of Gaseous Molecules in Protoplanetary Disks II
• The 15N-enrichment in dark clouds and Solar System objects
• H2CO and N2H+ in Protoplanetary Disks: Evidence for a CO-ice Regulated Chemistry
• Chemistry in disks I - Deep search for N${}_2$H${}^{+}$ in the protoplanetary disks around LkCa 15, MWC 480, and DM Tau
• The propagation of Lyman-alpha in evolving protoplanetary disks
• Chemistry in Protoplanetary Disks: A Sensitivity Analysis
• X-ray impact on the protoplanetary disks around T Tauri stars
• The unusual protoplanetary disk around the T Tauri star ET Cha
• Radiation thermo-chemical models of protoplanetary discs. IV Modelling CO ro-vibrational emission from Herbig Ae discs
• Detection of CH+ emission from the disc around HD100546
• Deuterated H${}_3^{+}$ in proto-planetary disks
• Uncertainties in water chemistry in disks: An application to TW Hya
• Stellar energetic particle ionization in protoplanetary disks around T Tauri stars
• Hot and cool water in Herbig Ae protoplanetary disks. A challenge for Herschel
• On the Influence of Uncertainties in Chemical Reaction Rates on Results of the Astrochemical Modelling
• Laboratory investigations of the interaction between benzene and bare silicate grain surfaces
• FUV and X-ray irradiated protoplanetary disks: a grid of models I. The disk structure
• Understanding the water emission in the mid- and far-IR from protoplanetary disks around T~Tauri stars
• Discovery of deuterated water in a young proto-planetary disk
• FUV and X-ray irradiated protoplanetary disks: a grid of models II - Gas diagnostic line emission
• X-ray Ionization of Heavy Elements Applied to Protoplanetary Disks
• The abundance and thermal history of water ice in the disk surrounding HD142527 from the DIGIT Herschel Key Program
• The Foggy Disks Surrounding Herbig Ae Stars: a Theoretical Study of the H2O Line Spectra

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