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therm.dat - specie addition

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Old   July 16, 2009, 16:03
Default therm.dat - specie addition
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Hi,

I wanted to add a new species to the therm.dat of my case file.
Even after I append the data of the constants, my case run gets terminated saying that the line with the species is strip invalid.

Any idea how I must do this correctly?

Thanks,
viv05
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Old   July 17, 2009, 01:20
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Quote:
Originally Posted by viv05 View Post
Hi,

I wanted to add a new species to the therm.dat of my case file.
Even after I append the data of the constants, my case run gets terminated saying that the line with the species is strip invalid.

Any idea how I must do this correctly?

Thanks,
viv05
I'm new to OpenFOAM and that file looks like a standard NASA Polynomials file - there are some strict formatting conventions - are you sure you got the polynomials, and especially the first line, correctly formatted? You can grab probably anything you need from various websites - search for CHEMKIN. If you did get the format right, there may be some other file in OpenFOAM where you have to declare the existence of species. There also should be a transport file somewhere with molecular size, etc. of species, but I don't know enough about OpenFOAM yet to know where that file might be. Also, there must also be a list of reactions between the species, and pressure corrections to reaction rates, etc. - I don't know where that would be either, but these likely have to be all consistent in the new species naming conventions, etc.

Sorry I can't be more help.
Patti
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Old   July 19, 2009, 12:53
Default therm.dat
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Hey, Viv - did you have any success? You can download a standard therm.dat type file here:

http://maeweb.ucsd.edu/~combustion/cermech/

...at least that would tell you if it was a format issue you were having.

Patti

PS: I'm trying to use openFoam to do combustion of simple premixed flames (no turbulence) in cylindrical coordinates - I am trying to find some documentation or examples on doing that.
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Old   July 20, 2009, 19:45
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Hi Patti,

Thanks!
What I did was change the constants of another specie, and change the name, etc.
It worked, while appending did not.

Thanks for the link, will check that out...
Will let you know if I come across any work on your area, all the best!

Viv05
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