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Title: NEW EXTENDED DEUTERIUM FRACTIONATION MODEL: ASSESSMENT AT DENSE ISM CONDITIONS AND SENSITIVITY ANALYSIS

Observations of deuterated species are useful in probing the temperature, ionization level, evolutionary stage, chemistry, and thermal history of astrophysical environments. The analysis of data from the Atacama Large Millimeter Array and other new telescopes requires an elaborate model of deuterium fractionation. This paper presents a publicly available chemical network with multi-deuterated species and an extended, up-to-date set of gas-phase and surface reactions. To test this network, we simulate deuterium fractionation in diverse interstellar sources. Two cases of initial abundances are considered: (1) atomic except for H{sub 2} and HD, and (2) molecular from a prestellar core. We reproduce the observed D/H ratios of many deuterated molecules, and sort the species according to their sensitivity to temperature gradients and initial abundances. We find that many multiply deuterated species produced at 10 K retain enhanced D/H ratios at temperatures {approx}< 100 K. We study how recent updates to reaction rates affect calculated D/H ratios, and perform a detailed sensitivity analysis of the uncertainties of the gas-phase reaction rates in the network. We find that uncertainties are generally lower in dark cloud environments than in warm infrared dark clouds and that uncertainties increase with the size of the molecule and number ofmore » D-atoms. A set of the most problematic reactions is presented. We list potentially observable deuterated species predicted to be abundant in low- and high-mass star-formation regions.« less
Authors:
; ;  [1] ; ;  [2]
  1. Max-Planck-Institut fuer Astronomie, Koenigstuhl 17, D-69117 Heidelberg (Germany)
  2. Departments of Chemistry and Astronomy, University of Virginia, Charlottesville, VA 22904 (United States)
Publication Date:
OSTI Identifier:
22140290
Resource Type:
Journal Article
Resource Relation:
Journal Name: Astrophysical Journal, Supplement Series; Journal Volume: 207; Journal Issue: 2; Other Information: Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; 74 ATOMIC AND MOLECULAR PHYSICS; ASTROPHYSICS; ATOMS; CHARGES; DATA ANALYSIS; DEUTERIUM; FRACTIONATION; HYDROGEN; ISOTOPE RATIO; MASS; MATTER; MOLECULES; NUCLEAR REACTION KINETICS; PROTOSTARS; SENSITIVITY ANALYSIS; STARS; SURFACES; TELESCOPES; TEMPERATURE GRADIENTS