[Amirreza_pro]

Hi guys,
I hope that you are doing well.
I'm using Sandia Flame D (SandiaD_LTS) tutorial.
This test case is by default for methane (CH4). If I'm going to change the fuel and use Ethylene (C2H4) instead of it, what should I do?
Dos anyone have any idea?

All the bests
Amirreza

[dlahaye]

Replace reaction mechanism for CH4 by reaction mechanism for C2H4.

[Amirreza_pro]

Originally Posted by dlahaye

Replace reaction mechanism for CH4 by reaction mechanism for C2H4.

Thanks for reply. Just one more question, in "reactions" file I should replace it, right?
I replaced reaction mechanism for CH4 in "reactions" file by reaction mechanism for C2H4 like below:

PHP Code:

elements
(
O
C
H
N
);

species
(
    O2
    H2O
    CH4
    CO2
    N2
);

reactions
{
    methaneReaction
    {
        type     irreversibleArrheniusReaction;
        reaction "CH4 + 2O2 = CO2 + 2H2O";
        A        5.2e16;
        beta     0;
        Ta       14906;
    }
} 


by

PHP Code:

elements
(
O
C
H
N
);

species
(
    O2
    H2O
    C2H4
    CO2
    N2
);

reactions
{
    ethylaneReaction
    {
        type     irreversibleArrheniusReaction;
        reaction "C2H4 + 3O2 + 11.28N2 = 2CO2 + 2H2O + 11.28N2";
        A        5.2e16;
        beta     0;
        Ta       14906;
    }
} 


Is it enough or I should replace more things?

[ajithnair]

If you are planing to do multi step reaction modelling you can import reaction mechanism from chemkin using chemkinToFoam. This thread may help.



how to use chemkinToFoam ?

[Amirreza_pro]

Originally Posted by ajithnair

If you are planing to do multi step reaction modelling you can import reaction mechanism from chemkin using chemkinToFoam. This thread may help.



how to use chemkinToFoam ?

Thanks alot for your reply.
I have already converted it with chemkinToFoam succesfully.
My question is, in this case that I'm going to use C2H4 (Ethylane), then in which files I should implement these changes (modifications)?
For example should I change also the files in "0.Floder" (which is for initial conditions). I don't know where actually I should interduce C2H4 (Ethylane) as the fuel and where (in which files) should I implement these changes.
I got a little confused for that

[Amirreza_pro]

Hi guys !
I found out how to modify the files in the case that you are going to change the fuel and use for example Ethylene instead of Methane in your simulation
If someone has in the future questions about it, just write here or send me a PV.
All the best

[dlahaye]

I am very interested in seeing the results of yr simulations and the comparison with CH4.

Sincere thx.

[Amirreza_pro]

Hi sure, I can send you the results. Just send me your email in PV.
I should also mention, the main reason that we canged the fuel was that with methane we could not get sufficient soot, therefore we decided to change the fuel from Methane to Ethylane and also change the ratio of Fuel-Air in the main jet in oder to get considerable mount of soot.
Now we are getting very nice results.
All the best

[Artur.Ant]

Originally Posted by Amirreza_pro

Thanks for reply. Just one more question, in "reactions" file I should replace it, right?
I replaced reaction mechanism for CH4 in "reactions" file by reaction mechanism for C2H4 like below:

PHP Code:

elements
(
O
C
H
N
);

species
(
    O2
    H2O
    CH4
    CO2
    N2
);

reactions
{
    methaneReaction
    {
        type     irreversibleArrheniusReaction;
        reaction "CH4 + 2O2 = CO2 + 2H2O";
        A        5.2e16;
        beta     0;
        Ta       14906;
    }
} 


by

PHP Code:

elements
(
O
C
H
N
);

species
(
    O2
    H2O
    C2H4
    CO2
    N2
);

reactions
{
    ethylaneReaction
    {
        type     irreversibleArrheniusReaction;
        reaction "C2H4 + 3O2 + 11.28N2 = 2CO2 + 2H2O + 11.28N2";
        A        5.2e16;
        beta     0;
        Ta       14906;
    }
} 


Is it enough or I should replace more things?

Hi!
In my opinion you should also change the Arrhenius coefficients.
Did you find the correct coefficients for the "C2H4 + 3O2 + 11.28N2 = 2CO2 + 2H2O + 11.28N2" reaction?