Modeling deuterium fractionation in cold and warm molecular environments with large chemical networks

Details Modeling deuterium fractionation in cold and warm molecular environments with large chemical networks Modeling deuterium fractionation in cold and warm molecular environments with large chemical networks

2011-10-12

arxiv.org/abs/1110.2644v1

Astronomy and Astrophysics

Astrophysics

Solar and Stellar Astrophysics

30 pages, 8 figures, submitted to ApJ

Scientific paper

Observations of deuterated species have long proven essential to probe properties and thermal history of various astrophysical environments. We present an elaborated chemical model that includes tens of thousands of reactions with multi-deuterated species, both gas-phase and surface, in which the most recent information on deuterium chemistry is implemented. A detailed study of the chemical evolution under wide range of temperatures and densities typical of cold molecular cores, warm protostellar envelopes, and hot cores/corinos is performed. We consider two cases of initial abundances, with 1) mainly atomic composition and all deuterium locked in HD, and 2) molecular abundances accumulated at 1 Myr of the evolution of a cold prestellar core. We indicate deuterated species that are particularly sensitive to temperature gradients and initial chemical composition. Many multiply-deuterated species produced at 10 K by exothermic ion-molecule chemistry retain large abundances even when temperature rises above 100 K, and can only be destroyed by dissociation. Our model successfully explains observed D/H ratios of many single, double, and triple-deuterated molecules, including water, methanol, ammonia, and hydrocarbons in a variety of environments (cold cores, hot protostellar envelopes and hot cores/corinos). We list the most abundant deuterated species predicted by our model in different environments of low- and high-mass star-formation regions, as well as key formation and destruction pathways for DCO+, DCN and isotopologues of H2O, H3+ and CH3OH.

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