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char combustion chemistry; multi-step raection, coalChemistryFoam

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Old   November 18, 2015, 08:12
Default char combustion chemistry; multi-step raection, coalChemistryFoam
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Shuai Wang
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Hello Foam users,

I am trying to implement a 3-step char combustion chemsitry mechanism for coalChemistryFoam solver. I found that there is an available model COxidationKineticDiffusionLimitedRate.C in the following location:
~/OpenFOAM/OpenFOM-2.3/src/lagrangian/ coalCombustion/submodels/ surfaceReactionModel/COxidationKineticDiffusionLimitedRate
The COxidationKineticDiffusionLimitedRate model uses a single step reaction of C+O2--> CO2
I intend to use following reactions to determine consumption of C:
C + 0.5O2 --> CO ; K1 is the rate constant
C + CO2 --> 2CO ; K2 is the rate constant
C + H2O --> CO+H2 ; K3 is the rate constant
The question I have are following:

1. Do I need to create variable for dmCO and dmH2 just as dmC and dmO2 are created?
2. How can dmC, dmCO and dmH2 be calculated using the kinetic rates of above reactions and implemented in the routine

If anyone has implemented multi-step surface chemistry I would be very thankful to learn how it is being implemented. I am still learning C++ and implementation in OpenFOAM and it would be great to get a help for a faster learning curve.

Many thanks
WANG
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Old   January 29, 2016, 11:04
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Hello,

In the following source file:

Code:
OpenFOAM-2.3.x/src/lagrangian/intermediate/submodels/ReactingMultiphase/SurfaceReactionModel/SurfaceReactionModel/SurfaceReactionModel.C
It seems that in OpenFOAM, the char combustion model is not implemented:
Code:
template<class CloudType>
Foam::scalar Foam::SurfaceReactionModel<CloudType>::calculate
(
    const scalar,
    const label,
    const scalar,
    const scalar,
    const scalar,
    const scalar,
    const scalar,
    const scalar,
    const scalarField&,
    const scalarField&,
    const scalarField&,
    const scalarField&,
    const scalar,
    scalarField&,
    scalarField&,
    scalarField&,
    scalarField&
) const
{
    notImplemented
    (
        "Foam::scalar Foam::SurfaceReactionModel<CloudType>::calculate"
        "("
            "const scalar, "
            "const label, "
            "const scalar, "
            "const scalar, "
            "const scalar, "
            "const scalar, "
            "const scalar, "
            "const scalar, "
            "const scalarField&, "
            "const scalarField&, "
            "const scalarField&, "
            "const scalarField&, "
            "const scalar, "
            "scalarField&, "
            "scalarField&, "
            "scalarField&, "
            "scalarField&"
        ") const"
    );

    return 0.0;
}
So not sure which one is really used in the OpenFOAM calculations. Have any ideas?
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