BUGFIXES FOR GRI-Mech VERSION 3.

0
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Bug No. 5. (discovered by Marc Rumminger.) 8/4/99
=========
Bug: Element count lines in thermodynamics data have '0' as placeholders.
Effect: Chemkin III interpreter searches for the element '0' and gives
error message. Mechanism won't be processed. No error for Chemkin II.
Fix: Zeroes have been removed from thermo30.dat file.
BUGFIXES FOR GRI-Mech VERSION 1.1,1.2,2.1
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Bug No. 4. (Discovered by V.M. Zamansky.) 11/2/95
=========
Bug: Reactions 277 and 278 (NH3 + H = NH2 + H2 and NH3 + OH =
NH2 + H2O) have negative values for E in the first release of
GRI-Mech 2.1, which are incorrect. They should be positive.
Effect of the error:
Only reaction 277 has a significantly large value of E, and the
ammonia kinetics is peripheral to the chemistry the mechanism is
intended to model. Recalculation of all targets and validation
experiments has been done with GRI-Mech 2.11 (completed Nov. 21,
1995). No significant changes from the results obtained using
GRI-Mech 2.1 were found.
Fix:
Use the revised mechanism GRI-Mech 2.11, which replaced the
previous version on Nov. 3, 1995. This makes E(277) = +9915.
kcal/mole/K and E(278) = +955. kcal/mole/K.
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Bug No. 3. (Discovered by David Underwood) 10/19/95
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Bug: Reactions 204 and 205 (NNH --> N2 + H and NNH + M --> N2 + H + M
are not accepted by Chemkin.
Cause:
Chemkin notices that "M" is included on both sides of 205 and thus
some versions of the code consider the two reactions to be the same.
See Bug No. 1.
Fix:
Each of these 2 reaction records must be followed by a single
line containing the word "DUPLICATE" in order for this pair
of reactions to be accepted.
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Bug No. 2. (Discovered by V.M. Zamansky.) 1/95
=========
Bug:
Chemkin refuses to accept the thermo.all file, returning the
error message "NO TLO, TMID, THIGH GIVEN FOR THERMO.ALL", at
least on the "PC" version of Chemkin.
Cause:
The 3 comment lines at the head of the thermo data file are not
recognized as such by all versions of Chemkin, in particular
by the "PC" version.
Fix: Remove the first three lines.
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Bug No. 1. (Discovered by V.M. Zamansky.) 1/95
=========
Bug: Reactions 166 and 167 (HCO + H20 --> H + CO + H2O and HCO + M --> H
+ CO + M) are not accepted by Chemkin.
Cause:
Chemkin notices that H2O is included in "M" and rejects
the duplication, at least in the "PC" version of Chemkin.
Fix:
Each of these 2 reaction records must be followed by a single
line containing the word "DUPLICATE" in order for this pair
of reactions to be accepted.