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mixtureDiffusionCoefficients is undefined in dictionary /thermophysicalTransport/lami

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Old   November 22, 2021, 08:27
Default mixtureDiffusionCoefficients is undefined in dictionary /thermophysicalTransport/lami
  #1
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Sk Hossen Ali
Join Date: Jul 2021
Location: India
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Hello Foamer,

I am using reactingFoam solver to solve my 1D premixed system to get its gas phase solution using detailed kinetics.

Initially I used unityLewisFourier option in thermophysicalTransport file to check whether everything is correct, the results came out pretty satisfactory.

Now I want to solve the problem using the FickianFourier (mixture average diffusivity) option in the thermoPhysicalTransport.

When I changed the options from unityLewisFourier to FickianFourier, the thermophysicalTransport file looks like these

Code:
FoamFile
{
    format      ascii;
    class       dictionary;
    location    "constant";
    object      thermophysicalTransport;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

laminar
{
    model           FickianFourier;  
}

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
It shows the following error,

Code:
Selecting thermophysical transport type laminar
Selecting laminar thermophysical transport model FickianFourier


--> FOAM FATAL IO ERROR: 
keyword mixtureDiffusionCoefficients is undefined in dictionary "/home/ali/OpenFOAM/ali-9/run/1DreactingMulticomponentFlow/1DreactingMulticomponentFlow100/constant/thermophysicalTransport/laminar"
I am using openfoam9 in Ubuntu 20.04LTS system.

To my understanding, the solver needs mixtureDiffusionCoefficients most probably the all the possible binary coefficients possible with the considered species(I considered 47 species in my reaction file)

I dont know how to find out these mixtureDiffusionCoefficients. Can anyone please help me out with these I would be very helpfull to that person.

Thanks beforehand.

SK Hossen Ali
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Old   November 23, 2021, 03:22
Default to convert the chemkin file to openfoam
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Sk Hossen Ali
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Dear Foamers,

this is how I convert the chemistry, thermophysical properties and transport file from chemkin format to opemfoam format,

Code:
chemkinToFoam \
chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \
constant/reactions constant/speciesThermo
where the usually transport file looks like
Code:
FoamFile
{
    format      ascii;
    class       dictionary;
    location    "chemkin";
    object      transportProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

".*"
{
    transport
    {
        As 1.512e-06;
        Ts 120.;
    }
}

"H2"
{
    transport
    {
        As 6.362e-07;
        Ts 72.;
    }
}

"CO2"
{
    transport
    {
        As 1.572e-06;
        Ts 240.;
    }
}

// ************************************************************************* //
But now I want to use chemkin kinetic parameter to be converted, the chemkin transport file (trans) looks like this...

Code:
AR                 0   136.500     3.330     0.000     0.000     0.000
C                  0    71.400     3.298     0.000     0.000     0.000 ! *
C2                 1    97.530     3.621     0.000     1.760     4.000
C2O                1   232.400     3.828     0.000     0.000     1.000 ! *
CN2                1   232.400     3.828     0.000     0.000     1.000 ! OIS
.
.
.
When I use trans instead of earlier transportProperties,

Code:
chemkinToFoam \
chemkin/chem.inp chemkin/therm.dat chemkin/trans\
constant/reactions constant/speciesThermo
It gives the following errors,

Code:
--> FOAM FATAL IO ERROR:
"ill defined primitiveEntry starting at keyword 'AR' on line 1 and ending at line 112"

file: chemkin/tran.dat at line 112.

    From function void Foam::primitiveEntry::readEntry(const Foam::dictionary&, Foam::Istream&)
    in file db/dictionary/primitiveEntry/primitiveEntryIO.C at line 168.

FOAM exiting
I would be very happy grateful if someone of you help me out in calculating the transport properties like binary diffusivities and other parameters required for laminar FickianFourier model.

Thanks in advance!
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Tags
diffusion coefficient, diffusion openfoam, mixture averaged, openfoam9, reactingfoam;

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