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Old   June 30, 2010, 04:39
Default Adding species to chemkin
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Rickard
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I add a species from the library. e.g. c12h26 from:
$WM_PROJECT_DIR/src/thermophysicalModels/liquids/C12H26
to my thermophysicalProperties

thermoType hPsiMixtureThermo<reactingMixture<gasThermoPhysics >>;

//CHEMKINFile "$FOAM_CASE/chemkin/chem.inp";
CHEMKINFile "$WM_PROJECT_DIR/src/thermophysicalModels/liquids/C12H26"

CHEMKINThermoFile "~OpenFOAM/thermoData/therm.dat";

inertSpecie N2;

//liquidComponents ( C7H16 );
liquidComponents (N-DODECANE);

liquidProperties
{
// C7H16 C7H16 defaultCoeffs;
N-DODECANE N-DODENCANE defaultCoeffs;

}

Then I want to create my own global reaction, similar to chem.inp

ELEMENTS
H O C N AR
END
SPECIE
C12H26 O2 N2 CO2 H2O
END
REACTIONS
C12H26 + 18.5O2 => 12CO2 + 13H2O 5.00E+8 0.0 15780.0! 1
FORD / C7H16 0.25 /
FORD / O2 1.5 /
END


However, could someone please explain these inputs for me:
5.00E+8 0.0 15780.0! 1
FORD / C7H16 0.25 /
FORD / O2 1.5 /
END


I guess they are for the activation energy and reaction rates and similar, FORD i dont know however. Is it possible to find these values online? I got the therm.dat values for C12H26 at burcats homepage.

Thx
R
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Old   July 1, 2010, 09:57
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Joseph Urich
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Hi Richard,

5.00E+8 would be the pre-exponential constant, 0.0 is the temperature exponent, 15780.0 is the activation energy.

FORD / O2 1.5 / is the Forward ORDer for O2. So the forward reaction is set to be a function of [O2]^1.5. If it is omitted, the order defaults to 1.0 (i.e. an elementary reaction).

These are Chemkin style commands, so a google search for 'Chemkin FORD' would probably get you more information
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