Chemical models used to study the chemical composition of the gas and the ices in the interstellar medium are based on a network of chemical reactions and associated rate coefficients. These reactions and rate coefficients are partially compiled from
data in the literature, when available. We present in this paper kida.uva.2014, a new updated version of the kida.uva public gas-phase network first released in 2012. In addition to a description of the many specific updates, we illustrate changes in the predicted abundances of molecules for cold dense cloud conditions as compared with the results of the previous version of our network, kida.uva.2011.
IRAS 16293-2422 is a well studied low-mass protostar characterized by a strong level of deuterium fractionation. In the line of sight of the protostellar envelope, an additional absorption layer, rich in singly and doubly deuterated water has been di
scovered by a detailed multiline analysis of HDO. To model the chemistry in this source, the gas-grain chemical code Nautilus has been used with an extended deuterium network. For the protostellar envelope, we solve the chemical reaction network in infalling fluid parcels in a protostellar core model. For the foreground cloud, we explored several physical conditions (density, cosmic ionization rate, C/O ratio). The main results of the paper are that gas-phase abundances of H2O, HDO and D2O observed in the inner regions of IRAS16293-2422 are lower than those predicted by a 1D dynamical/chemical (hot corino) model in which the ices are fully evaporated. The abundance in the outer part of the envelope present chaotic profiles due to adsorption/evaporation competition, very different from the constant abundance assumed for the analysis of the observations. We also found that the large abundances of gas-phase H2O, HDO and D2O observed in the absorption layer are more likely explained by exothermic surface reactions rather than photodesorption processes.
While recent studies of the solar-mass protostar IRAS16293-2422 have focused on its inner arcsecond, the wealth of Herschel/HIFI data has shown that the structure of the outer envelope and of the transition region to the more diffuse ISM is not clear
ly constrained. We use rotational ground-state transitions of CH (methylidyne), as a tracer of the lower-density envelope. Assuming LTE, we perform a $chi^2$ minimization of the high spectral resolution HIFI observations of the CH transitions at ~532 and ~536 GHz in order to derive column densities in the envelope and in the foreground cloud. We obtain column densities of (7.7$pm$0.2)$times10^{13}$ cm$^{-2}$ and (1.5$pm$0.3)$times10^{13}$ cm$^{-2}$, respectively. The chemical modeling predicts column densities of (0.5-2)$times10^{13}$ cm$^{-2}$ in the envelope (depending on the cosmic-ray ionization rate), and 5$times10^{11}$ to 2.5$times10^{14}$ cm$^{-2}$ in the foreground cloud (depending on time). Both observed abundances are reproduced by the model at a satisfactory level. The constraints set by these observations on the physical conditions in the foreground cloud are however weak. Furthermore, the CH abundance in the envelope is strongly affected by the rate coefficient of the reaction H+CH$rightarrow$C+H$_2$ ; further investigation of its value at low temperature would be necessary to facilitate the comparison between the model and the observations.
Predictions of astrochemical models depend strongly on the reaction rate coefficients used in the simulations. We reviewed a number of key reactions for the chemistry of nitrogen-bearing species in the dense interstellar medium and proposed new react
ion rate coefficients for those reactions. The details of the reviews are given in the form of a datasheet associated with each reaction. The new recommended rate coefficients are given with an uncertainty and a temperature range of validity and will be included in KIDA (http://kida.obs.u-bordeaux1.fr).
We present a novel chemical database for gas-phase astrochemistry. Named the KInetic Database for Astrochemistry (KIDA), this database consists of gas-phase reactions with rate coefficients and uncertainties that will be vetted to the greatest extent
possible. Submissions of measured and calculated rate coefficients are welcome, and will be studied by experts before inclusion into the database. Besides providing kinetic information for the interstellar medium, KIDA is planned to contain such data for planetary atmospheres and for circumstellar envelopes. Each year, a subset of the reactions in the database (kida.uva) will be provided as a network for the simulation of the chemistry of dense interstellar clouds with temperatures between 10 K and 300 K. We also provide a code, named Nahoon, to study the time-dependent gas-phase chemistry of 0D and 1D interstellar sources.
