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Table A.1

Full initial conditions (abundance of each species vs. total composition).

Species Initial conditions 1 Initial conditions 2 Initial conditions 3 Initial conditions 4 Initial conditions 5
H (gas) 3.525 × 10−5 2.560 × 10−5 0 1.880 × 10−5 2.270 × 10−5
C (gas) 1.375 × 10−4 1.367 × 10−4 1.150 × 10−4 1.357 × 10−4 1.3875 × 10−4
N (gas) 7.475 × 10−5 7.480 × 10−5 7.250 × 10−5 7.350 × 10−5 7.350 × 10−5
O (gas) 3.118 × 10−4 3.048 × 10−4 2.375 × 10−4 3.0385 × 10−4 3.029 × 10−4
H2O (ice) 5.0 × 10−6 1.0 × 10−5 5.0 × 10−5 1.0 × 10−5 1.0 × 10−5
CO (ice) 5.0 × 10−7 5.0 × 10−7 5.0 × 10−6 8.0 × 10−7 1.7 × 10−6
CO2 (ice) 5.0 × 10−7 1.5 × 10−6 5.0 × 10−6 1.3 × 10−6 2.3 × 10−6
NH3 (ice) 2.5 × 10−7 2.0 × 10−7 2.5 × 10−6 1.5 × 10−6 1.5 × 10−6
CH3OH (ice) 2.5 × 10−7 5.0 × 10−7 2.5 × 10−6 1.0 × 10−6 4.0 × 10−7
HCOOH (ice) 5.0 × 10−7 5.0 × 10−7 5.0 × 10−6 7.0 × 10−7 1.0 × 10−7
CH4 (ice) 2.5 × 10−7 1.0 × 10−7 2.5 × 10−6 1.5 × 10−7 1.5 × 10−7
H2CO (ice) 5.0 × 10−7 2.0 × 10−7 5.0 × 10−6 3.5 × 10−7 2.0 × 10−7

Notes. It is assumed that all available atomic hydrogen is in the form of H2. IC1 is based on a lower limit of the water abundance of 10−5 vs. H2 and IC 3 is based on the upper limit of water abundance of 10−4 vs. H2. For IC 2, 4, and 5 the water ice abundance is set at 5 × 10−5 vs. H2 and the other ice abundances are calculated from percentages vs. water from observations of ice in star-forming regions (Gibb et al. 2004). IC2 is based on AFGL 2136, IC4 on W33A, and IC5 on NGC7538 IRS9.

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