CFD Online Logo CFD Online URL
www.cfd-online.com
[Sponsors]
Home > Forums > General Forums > Main CFD Forum

Chemkin

Register Blogs Members List Search Today's Posts Mark Forums Read

Like Tree2Likes
  • 1 Post By arjun
  • 1 Post By sara137

Reply
 
LinkBack Thread Tools Search this Thread Display Modes
Old   July 7, 2020, 11:44
Default Chemkin
  #1
New Member
 
sara
Join Date: Jun 2020
Posts: 12
Rep Power: 2
sara137 is on a distinguished road
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
sara137 is offline   Reply With Quote

Old   July 7, 2020, 12:39
Default
  #2
Senior Member
 
Arjun
Join Date: Mar 2009
Location: Nurenberg, Germany
Posts: 913
Rep Power: 24
arjun will become famous soon enough
Quote:
Originally Posted by sara137 View Post
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.
arjun is offline   Reply With Quote

Old   July 7, 2020, 13:01
Default
  #3
New Member
 
sara
Join Date: Jun 2020
Posts: 12
Rep Power: 2
sara137 is on a distinguished road
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?
sara137 is offline   Reply With Quote

Old   July 7, 2020, 14:22
Default
  #4
Senior Member
 
Arjun
Join Date: Mar 2009
Location: Nurenberg, Germany
Posts: 913
Rep Power: 24
arjun will become famous soon enough
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
Attached Files
File Type: txt H2Connaire_chm.inp.txt (6.4 KB, 3 views)
File Type: txt H2Connaire_trn.dat.txt (1,009 Bytes, 3 views)
sara137 likes this.
arjun is offline   Reply With Quote

Old   July 8, 2020, 07:28
Default
  #5
New Member
 
sara
Join Date: Jun 2020
Posts: 12
Rep Power: 2
sara137 is on a distinguished road
I really thank you for your help. There is no error with your files. I will check my thermo file again.
Regards,
sara137 is offline   Reply With Quote

Old   July 8, 2020, 08:19
Default
  #6
Senior Member
 
Arjun
Join Date: Mar 2009
Location: Nurenberg, Germany
Posts: 913
Rep Power: 24
arjun will become famous soon enough
Quote:
Originally Posted by sara137 View Post
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.
Attached Files
File Type: txt CanteraConverter.cpp.txt (7.7 KB, 4 views)
arjun is offline   Reply With Quote

Old   July 8, 2020, 09:16
Default
  #7
New Member
 
sara
Join Date: Jun 2020
Posts: 12
Rep Power: 2
sara137 is on a distinguished road
the problem was resolved. Thank you very much
arjun likes this.
sara137 is offline   Reply With Quote

Old   July 11, 2020, 08:03
Default
  #8
New Member
 
Ross Scroggs
Join Date: Apr 2020
Posts: 2
Rep Power: 0
juampix is on a distinguished road
Quote:
Originally Posted by sara137 View Post
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.
check cps
I have included thermo and reaction data into my thermo.dat file and chem.inp file. Can anybody help me?

mouse speed test
Best.
Attachment 78928
The file i believe has fixed format and the numbers here and there can lead to failure of reading.

Last edited by juampix; July 12, 2020 at 09:12.
juampix is offline   Reply With Quote

Reply

Thread Tools Search this Thread
Search this Thread:

Advanced Search
Display Modes

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is Off
Trackbacks are Off
Pingbacks are On
Refbacks are On


Similar Threads
Thread Thread Starter Forum Replies Last Post
How to import Chemkin species transport file to Ansys FLUENT? syahirahjaafar FLUENT 2 May 14, 2020 14:27
Need Help: Failed to import CHEMKIN Reaction file to Fluent shaonme FLUENT 0 April 6, 2020 19:15
how to find distribution field of reaction rates when CHEMKIN is enabled? EdgarasM FLUENT 1 February 18, 2019 10:41
CHEMKIN 18.2 Example Running Issue Plum_Flavoured_Biscuit ANSYS 3 March 16, 2018 11:22
Question on CHEMKIN INTERFACE Rui Yang Phoenics 7 January 30, 2002 05:04


All times are GMT -4. The time now is 10:34.