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Published 20 hours ago • verified publisher icon ReactionMechanismGenerator

Glarborg seed mechanisms

Open rwest opened this issue 15 years ago • 15 comments

Having the Glarborg seed mechanisms in an easily usable format, with documentation explaining when to use what, would be great. I assume we're talking about something like http://dx.doi.org/10.1016/j.proci.2008.06.188 I think Franklin has done much of this already, and was volunteered to finish it off

rwest avatar Mar 03 '10 19:03 rwest

Glarborg mechanisms are there now, but we're lacking documentation. What would be nice is

  1. where they came from
  2. how they were edited (various reactions have been omitted?)
  3. advice as to when to use them

rwest avatar May 14 '10 14:05 rwest

The current Glarborg library files contain comments like: // -----------------------RMG WHY DO YOU HATE ME? :)

rwest avatar Jun 21 '10 16:06 rwest

Hi Richard,

We have the following reactions with '0' PLOG rate coefficient parameters in the Glarborg/C3 library. The 15151 version of Chemkin gives an error while interpolating between the '0' PLOGs.

! Reaction index: Chemkin #556; RMG #555 ! Library reaction: Unclassified OH(9)+CO(14)=HOCO(38) 1.000e+00 0.000 0.000
PLOG/ 0.001 0.000e+00 0.000 0.000 / PLOG/ 1.000 0.000e+00 0.000 0.000 / PLOG/ 3.000 0.000e+00 0.000 0.000 / PLOG/ 10.000 1.300e+37 -8.400 7.948 / PLOG/ 20.000 7.500e+28 -6.000 3.775 / PLOG/ 50.000 4.000e+38 -9.000 6.955 / PLOG/ 80.000 7.700e+35 -8.000 6.557 / PLOG/ 100.000 1.800e+36 -8.000 7.153 / PLOG/ 650.000 2.900e+66 -17.100 19.870 / PLOG/ 2000.000 2.700e+67 -17.000 22.851 / DUPLICATE ! Reaction index: Chemkin #557; RMG #555 ! Library reaction: Unclassified OH(9)+CO(14)=HOCO(38) 1.000e+00 0.000 0.000
PLOG/ 0.001 0.000e+00 0.000 0.000 / PLOG/ 1.000 0.000e+00 0.000 0.000 / PLOG/ 3.000 0.000e+00 0.000 0.000 / PLOG/ 10.000 0.000e+00 0.000 0.000 / PLOG/ 20.000 4.000e+39 -9.000 9.935 / PLOG/ 50.000 5.000e+43 -10.000 13.015 / PLOG/ 80.000 9.000e+47 -11.200 15.499 / PLOG/ 100.000 2.000e+54 -13.000 19.671 / PLOG/ 650.000 2.000e+63 -15.200 27.421 / PLOG/ 2000.000 1.000e+74 -18.000 37.157 / DUPLICATE

What do you think is the best way to edit these PLOG reactions? Also what is the source for the current Glarborg libraries in RMG.

Thank you for your reply.

Regards, Soumya

soumsrani avatar May 23 '16 18:05 soumsrani