93 lines
2.8 KiB
Text
93 lines
2.8 KiB
Text
BUGFIXES FOR GRI-Mech VERSION 3.0
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===================================
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Bug No. 5. (discovered by Marc Rumminger.) 8/4/99
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=========
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Bug: Element count lines in thermodynamics data have '0' as placeholders.
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Effect: Chemkin III interpreter searches for the element '0' and gives
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error message. Mechanism won't be processed. No error for Chemkin II.
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Fix: Zeroes have been removed from thermo30.dat file.
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BUGFIXES FOR GRI-Mech VERSION 1.1,1.2,2.1
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===========================================
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Bug No. 4. (Discovered by V.M. Zamansky.) 11/2/95
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=========
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Bug: Reactions 277 and 278 (NH3 + H = NH2 + H2 and NH3 + OH =
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NH2 + H2O) have negative values for E in the first release of
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GRI-Mech 2.1, which are incorrect. They should be positive.
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Effect of the error:
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Only reaction 277 has a significantly large value of E, and the
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ammonia kinetics is peripheral to the chemistry the mechanism is
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intended to model. Recalculation of all targets and validation
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experiments has been done with GRI-Mech 2.11 (completed Nov. 21,
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1995). No significant changes from the results obtained using
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GRI-Mech 2.1 were found.
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Fix:
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Use the revised mechanism GRI-Mech 2.11, which replaced the
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previous version on Nov. 3, 1995. This makes E(277) = +9915.
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kcal/mole/K and E(278) = +955. kcal/mole/K.
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----------------------------------------------------------------
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Bug No. 3. (Discovered by David Underwood) 10/19/95
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=========
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Bug: Reactions 204 and 205 (NNH --> N2 + H and NNH + M --> N2 + H + M
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are not accepted by Chemkin.
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Cause:
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Chemkin notices that "M" is included on both sides of 205 and thus
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some versions of the code consider the two reactions to be the same.
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See Bug No. 1.
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Fix:
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Each of these 2 reaction records must be followed by a single
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line containing the word "DUPLICATE" in order for this pair
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of reactions to be accepted.
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----------------------------------------------------------------
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Bug No. 2. (Discovered by V.M. Zamansky.) 1/95
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=========
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Bug:
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Chemkin refuses to accept the thermo.all file, returning the
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error message "NO TLO, TMID, THIGH GIVEN FOR THERMO.ALL", at
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least on the "PC" version of Chemkin.
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Cause:
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The 3 comment lines at the head of the thermo data file are not
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recognized as such by all versions of Chemkin, in particular
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by the "PC" version.
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Fix: Remove the first three lines.
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----------------------------------------------------------------
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Bug No. 1. (Discovered by V.M. Zamansky.) 1/95
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=========
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Bug: Reactions 166 and 167 (HCO + H20 --> H + CO + H2O and HCO + M --> H
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+ CO + M) are not accepted by Chemkin.
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Cause:
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Chemkin notices that H2O is included in "M" and rejects
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the duplication, at least in the "PC" version of Chemkin.
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Fix:
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Each of these 2 reaction records must be followed by a single
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line containing the word "DUPLICATE" in order for this pair
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of reactions to be accepted.
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