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Fire Dynamics Simulator
https://pages.nist.gov/fds-smv/
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Stoichiometric imbalance in Purdue cases #11288

Closed mcgratta closed 1 year ago

mcgratta commented 1 year ago

The Purdue Flame cases do not run. The error is

ERROR: Problem with REAC 1. Mass of products,  283.792, does not equal mass of reactants,1974.067 (CHID: 7p1_cm_methane_4mm)

I think the problem is that a SOOT_YIELD is specified along with a primitive species formulation.

mcgratta commented 1 year ago

There is a similar error statement for the NIST Structural Separation cases, but without a specified soot yield. Also, in those cases, do we need to clip the density any more?

drjfloyd commented 1 year ago

The issue is the VOLUME_FRACTION, if I shift the decimal place over so the fuel sums to 1 this runs. With all the reorganization my guess is the atom check is now being done before VOLUME_FRACTION is renormalized to 1. I'll figure out the fix.

I wouldn't think we'd need the CLIP line. The default vlaue for CLIP should now be based on the fuel species at 2500 K.

IF (MINIMUM_DENSITY>0._EB) THEN RHOMIN = MINIMUM_DENSITY ELSE RHOMIN = MIN(0.1_EBRHOA,2._EBP_INFMW_MIN/(R0TMPMAX)) ENDIF

mcgratta commented 1 year ago

Thanks, I figured it was something like this. Still, is it appropriate to specify a SOOT_YIELD with primitive species? And yes, let's remove the CLIP line because we'll be running these cases again. It might have been added because of some problem that no longer exists.

drjfloyd commented 1 year ago

Yes it is appropriate as you are still using a simple chemistry REAC.

drjfloyd commented 1 year ago

Should be working now.

rmcdermo commented 1 year ago

Is this issue resolved?

mcgratta commented 1 year ago

Yes