presenting non-integer elemnet compositions in species chemkin

Thamali · March 7, 2014, 03:56

I have two questions regarding presenting a reactions in OpenFoam.I tried using OF format as well as chemkin format.

In chemkin format I have the issue of representing following compostion.

Code:

C6H6.2O0.2

Is there a way to represent an element composition like C6H6.2O0.2 in chemkin?

In OF format I cannot present following reaction and its rate.

Code:

CO + 0.5O2     => CO2

Reaction rate =kr Cco*Co2^0.5*Ch2o^0.5
I tried "thirdBodyIrreversibleArrheniusReactionRate",a nd it did not work.
And I tried to represent reaction in following methods as well.

Code:

CO + 0.5O2+H2O^0.5     => CO2+H2O

&

Code:

CO + 0.5O2 +0H2O^0.5        => CO2

If someone can help me,really appreciate.
Thanks.

Thamali · March 19, 2014, 22:51

Okay.I solved the problem using both chemkin and OpenFOAM reaction files.For anyone who interested.

Code:

foamChemistryFile "$FOAM_CASE/constant/reactions";

foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGas";

CHEMKINFile     "$FOAM_CASE/chemkin/chem.inp";

CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";

Thamali

March 7, 2014, 03:56	presenting non-integer elemnet compositions in species chemkin	#1
Thamali Member Thamali Join Date: Jul 2013 Posts: 67 Rep Power: 12	I have two questions regarding presenting a reactions in OpenFoam.I tried using OF format as well as chemkin format. In chemkin format I have the issue of representing following compostion. Code: C6H6.2O0.2 Is there a way to represent an element composition like C6H6.2O0.2 in chemkin? In OF format I cannot present following reaction and its rate. Code: CO + 0.5O2 => CO2 Reaction rate =kr CcoCo2^0.5Ch2o^0.5 I tried "thirdBodyIrreversibleArrheniusReactionRate",a nd it did not work. And I tried to represent reaction in following methods as well. Code: CO + 0.5O2+H2O^0.5 => CO2+H2O & Code: CO + 0.5O2 +0H2O^0.5 => CO2 If someone can help me,really appreciate. Thanks.

March 19, 2014, 22:51		#2
Thamali Member Thamali Join Date: Jul 2013 Posts: 67 Rep Power: 12	Okay.I solved the problem using both chemkin and OpenFOAM reaction files.For anyone who interested. Code: foamChemistryFile "$FOAM_CASE/constant/reactions"; foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGas"; CHEMKINFile "$FOAM_CASE/chemkin/chem.inp"; CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat"; Thamali

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