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problem with converting chemkin file into OpenFoam format

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Old   January 9, 2022, 15:58
Default problem with converting chemkin file into OpenFoam format
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Amirreza Niazmehr
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hi guys, I hope that you are doing well
I stuck in converting my mechanisms from Chemkin format into OpenFoam format.
You can find my 3 chemkin files in attachment.
When I use chemkintofoam comand to convert the files to openFOAM format, I get the error:

--> FOAM FATAL IO ERROR:
"ill defined primitiveEntry starting at keyword 'N2' on line 1 and ending at line 50"

file: trans_chemkin.dat at line 50.

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

I tried different tricks but no one works till now
Does any body any solution for that?
Thanks in advance guys
Attached Files
File Type: zip C2H4_DNS_41Spec .zip (10.9 KB, 12 views)
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Old   January 10, 2022, 06:54
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Franco Marra
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Dear Amirreza,

I suspect that you will never be able to process the file trans_chemkin.dat of your chemical mechanism. It seems to contain parameters for transport properties related to the Lennard-Jones potentials (no headline is included that specifies the content), a method to compute transport properties that I think has been not implemented in the standard version of openFoam.
If you have a look at the tutorials in the combustion directory, chemFoam application, you can find several examples of the use of chemToFoam (see the content of Allrun scripts). You will discover that the transportProperties files actually do not contain information. To process your chemkin file just substitute this file to your trans_chemkin.dat and be aware that a different procedure must be done for the computation of transport properties as done, for example, in the tutorial combustion/reactingFoam/RAS/DLR_A_LTS where only H2 and CO2 have specific transport properties.

Hoping this will help you.

Best regards,
Franco
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Old   January 10, 2022, 08:01
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Amirreza Niazmehr
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Thanks alot dear Franco for your reply.
You are completely right, that was also a question for me that why these transport files do not contain information
I have just one question, how can I understand that which species have specific transport properties for my mechanism? I'm running SandiaD_LTS and when I check the transportProperties file in the directory, I see also only H2 and CO2 have specific transport properties. But how can I find it for my mechanism and change it accordingly? Do you have probably any idea?
Thanks again

Last edited by Amirreza_pro; January 11, 2022 at 01:50.
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Old   January 10, 2022, 11:39
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Amirreza Niazmehr
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Quote:
Originally Posted by francescomarra View Post
Dear Amirreza,

I suspect that you will never be able to process the file trans_chemkin.dat of your chemical mechanism. It seems to contain parameters for transport properties related to the Lennard-Jones potentials (no headline is included that specifies the content), a method to compute transport properties that I think has been not implemented in the standard version of openFoam.
If you have a look at the tutorials in the combustion directory, chemFoam application, you can find several examples of the use of chemToFoam (see the content of Allrun scripts). You will discover that the transportProperties files actually do not contain information. To process your chemkin file just substitute this file to your trans_chemkin.dat and be aware that a different procedure must be done for the computation of transport properties as done, for example, in the tutorial combustion/reactingFoam/RAS/DLR_A_LTS where only H2 and CO2 have specific transport properties.

Hoping this will help you.

Best regards,
Franco
Thanks alot dear Franco for your reply.
You are completely right, that was also a question for me that why these transport files do not contain information
I have just one question, how can I understand that which species have specific transport properties for my mechanism? I'm running SandiaD_LTS and when I check the transportProperties file in the directory, I see also only H2 and CO2 have specific transport properties. But how can I find it for my mechanism and change it accordingly? Do you have probably any idea?
Thanks again

Last edited by Amirreza_pro; January 11, 2022 at 01:49.
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