[sara137]

Hi all,

I am trying to import mechanism into chemkin. However, it keeps generating output error "no thermodynamic properties for species" and a warning of "the following species do not participate in any reaction" containing all species.

I have included thermo and reaction data into my thermo.dat file and chem.inp file. Can anybody help me?


Best.
chemkinforum.zip

[arjun]

Originally Posted by sara137

Hi all,

I am trying to import mechanism into chemkin. However, it keeps generating output error "no thermodynamic properties for species" and a warning of "the following species do not participate in any reaction" containing all species.

I have included thermo and reaction data into my thermo.dat file and chem.inp file. Can anybody help me?


Best.
Attachment 78928

Did you modify the dat or chemkin file? The file i believe has fixed format and the numbers here and there can lead to failure of reading.

[sara137]

Thank you Arjun for your response.
As a beginner, I defined dat et inp files by mysel. I followed rules for data input. I want to know please does the inp file should contain thermo data+transport+reactions, or reactions only?

[arjun]

I attach two files for you. Could you try them and see what happens. These files worked so they shall be working at your place too. If it works then you are sure that there is some issue with the formatting.


remove .txt from them.


PS: Your thermo file to me indeed looks not well formatted (Not equal character etc)



1
2.71287897e+00 1.90359754e-03 -8.54297556e-07 1.84170938e-10 -1.54715988e-14 2
-8.40225273e+02 7.15926558e+00 3.85321336e+00-2.44053349e-03 5.35160392e-06 3
-3.75608397e-09 9.22684330e-13-1.07969550e+03 1.60217419e+00 4
Ar Ar 1 G 300.0 35000.0 1490.0 1
2.50000000e+00 7.40336223e-15 -5.56967416e-18 1.73924876e-21 -1.92673709e-25 2
-7.45375000e+02 4.36600000e+00 2.50000000e+00-4.07455160e-15 5.98527266e-18 3
-3.43074982e-21 6.74775716e-25-7.45375000e+02 4.36600000e+00 4

[sara137]

I really thank you for your help. There is no error with your files. I will check my thermo file again.
Regards,

[arjun]

Originally Posted by sara137

I really thank you for your help. There is no error with your files. I will check my thermo file again.
Regards,

Long time ago i wrote a converter from Cantera, I attach you the function that writes the thermodynamic file too (along with other things).
You can see the format of thermo file from there. It should also show what spacing to use.

thermF is the therm file.




Good luck.

[sara137]

the problem was resolved. Thank you very much