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chemkin thermo data

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Old   September 17, 2018, 10:05
Default chemkin thermo data
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Weiqiang Liu
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Hi all,

I have two thermo data file at hand. one is from GRI 3.0 thermo data and the other is from n-dodecane thermo developed by Hai Wang.

the former has 14 fitting coefficients and the latter has 15 fitting coefficients. I looked up chemkin user manual and found that normally there are 7 coefficients for the upper temperature range and 7 coefficients for the lower temperature range and the total number of coefficients is 14. So what is the problem with 15 coefficients?

thanks.
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Old   September 17, 2018, 12:27
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Lucky Tran
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I have heard tales of 15 coefficient thermo formulations used for by other non-chemkin mechanisms. These usually come with instructions that say "delete coefficient 15 because it is not used by chemkin." Maybe that's what you have come across.
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Old   September 17, 2018, 15:03
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Quote:
Originally Posted by LuckyTran View Post
I have heard tales of 15 coefficient thermo formulations used for by other non-chemkin mechanisms. These usually come with instructions that say "delete coefficient 15 because it is not used by chemkin." Maybe that's what you have come across.
OK, so you think I should delete coefficient 15 so that the thermo data can be imported into fluent as chemkin format thermo data?
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Old   September 17, 2018, 16:16
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I think you should look carefully at what thermo.dat you actually have because it's clearly not a chemkin one. I don't know Hai Wang and I have no clue what you have. For all I know, the 15th coefficient could be their bank account number. And I have no clue what the mapping is from one to the other, maybe you need to delete the 1st coefficient, or the 4th. No clue.
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Old   September 19, 2018, 12:23
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Quote:
Originally Posted by LuckyTran View Post
I think you should look carefully at what thermo.dat you actually have because it's clearly not a chemkin one. I don't know Hai Wang and I have no clue what you have. For all I know, the 15th coefficient could be their bank account number. And I have no clue what the mapping is from one to the other, maybe you need to delete the 1st coefficient, or the 4th. No clue.
thanks very much. so Can I built my own thermo file by copy data in some kind of database. Do you know where can I get the thermo data of specific species I want? NASA thermo data?
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