J/A+A/517/A21 Sensitivity analysis list of chemical reactions (Wakelam+, 2010)
Sensitivity analysis of dense cloud chemical models.
Wakelam V., Herbst E., Le Bourlot J., Selsis F., Guilloteau S.
<Astron. Astrophys. 517, A21 (2010)>
=2010A&A...517A..21W 2010A&A...517A..21W
ADC_Keywords: Models ; Molecular clouds ; Abundances
Keywords: astrochemistry - molecular processes - ISM: abundances -
ISM: molecules - ISM: individual objects: L134N -
ISM: individual objects: TMC-1 (CP)
Abstract:
Because of new telescopes that will dramatically improve our knowledge
of the interstellar medium, chemical models will have to be used to
simulate the chemistry of many regions with diverse properties. To
make these models more robust, it is important to understand their
sensitivity to a variety of parameters.
In this article, we report a study of the sensitivity of a chemical
model of a cold dense core, with homogeneous and time-independent
physical conditions, to variations in the following parameters:
initial chemical inventory, gas temperature and density, cosmic-ray
ionization rate, chemical reaction rate coefficients, and elemental
abundances.
Description:
The osu032008 network is the list of chemical reactions used in our
sensitivity analysis. This file contains reactants and products of
each reaction, three parameters (alpha, beta and gamma) to compute the
rate coefficients and the type of reaction. This network lists 4479
reactions for 455 species with 13 atoms. More details on the types of
reactions and formula to compute the rate coefficients can be found at
http://www.physics.ohio-state.edu/~eric/research.html
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
osu.dat 108 4479 osu032008 chemical network
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See also:
http://www.physics.ohio-state.edu/~eric/research.html : OSU Home Page
Byte-by-byte Description of file: osu.dat
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Bytes Format Units Label Explanations
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1- 8 A8 --- R1 Reactant #1
9- 16 A8 --- R2 Reactant #2
17- 24 A8 --- R3 Reactant #3
25- 32 A8 --- P1 Product #1
33- 40 A8 --- P2 Product #2
41- 48 A8 --- P3 Product #3
49- 56 A8 --- P4 Product #4
66- 73 E8.3 ---- alpha α for rate coefficient (2) (1)
74- 82 E9.3 --- beta β for rate coefficient (2)
83- 91 E9.3 K gamma γ for rate coefficient (2)
92- 93 I2 --- itype [0/13] Type of reaction (3)
94- 97 I4 --- inum Number of the reaction inside the type of
reaction
99-102 I4 --- num Number of the reaction
104-108 F5.2 --- unc Uncertainty factor on the rate coefficient
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Note (1): Unit depends on the type of reaction ("itype" column).
For types 0 and 2 to 12, the unit is cm3/s.
For types 1 and 13, unit is s-1.
See http://www.physics.ohio-state.edu/~eric/research.html
Note (2): See http://www.physics.ohio-state.edu/~eric/research.html for
the formula to compute the rate coefficient according to the type.
Note (3): itype as follows:
0 = Gas-grain interaction, electron-grain recombination (old version)
1 = Cosmic ray ionization. A(J)=scaling factor
2 = Ion-molecule reactions and charge exchange reactions
3 = Negative ion - neutral species reactions
4 = Radiative association: ion-neutral
5 = Electron ejection: negative ion - neutral
6 = Neutral + neutral --> ion + electron (only one reaction)
7 = Neutral + Neutral chemical reaction
8 = Neutral + Neutral radiative association
9 = Dissociative recombination
10 = Radiative recombination (No dissociation) atomic, molecular ion + e
11 = Positive-ion .vs. Negative-ion Recombination
12 = Electron attachment (neutral + e --> negative ion)
13 = Photo-ionization and photo-dissociation
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Acknowledgements:
Valentine Wakelam, wakelam(at)obs.u-bordeaux1.fr
(End) Valentine Wakelam [LAB], Patricia Vannier [CDS] 10-Apr-2010