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IDProjectCategoryView StatusLast Update
0000395OpenFOAMBugpublic2012-01-30 14:00
Reporteruser247Assigned Touser2 
PrioritynormalSeverityminorReproducibilityhave not tried
Status resolvedResolutionno change required 
Summary0000395: concentrations updated by molar stoichiometric coefficients
DescriptionIn openFoam2.0.x in the ODEChemistryModel.C-file in the updateConcsInReactionI-function it updates the concentrations by

Code:

  scalar sl = R.lhs()[s].stoichCoeff;
  c[si] -= dt*sl*omeg;

but since omega is in [kg/(m^3*s] the mass stoichiometric coefficient (normalised) instead of the molar stoichiometric coefficient should be taken, right ??

gregor
TagsNo tags attached.

Activities

user15

2012-01-26 13:04

  ~0000958

You are looking at the wrong place.
The internal chemistry integration is using molar concentration, but
only to obtain the new concentrations.
Scroll down to the bottom of the file, where you will see
that the reaction rate is linearised and multiplied with the mol. weight.

        dc = c - c0;
        for (label i=0; i<nSpecie_; i++)
        {
            RR_[i][celli] = dc[i]*specieThermo_[i].W()/deltaT;
        }

user247

2012-01-26 14:32

  ~0000960

Ok I somehow missed to see that molar concentrations are used

Thanks

Issue History

Date Modified Username Field Change
2012-01-25 17:16 user247 New Issue
2012-01-26 13:04 user15 Note Added: 0000958
2012-01-26 14:32 user247 Note Added: 0000960
2012-01-30 14:00 user2 Status new => resolved
2012-01-30 14:00 user2 Fixed in Version => 2.1.x
2012-01-30 14:00 user2 Resolution open => no change required
2012-01-30 14:00 user2 Assigned To => user2