Learning Forum

[maoyuquan780]

I'm using chemkin software and I'm getting an error at the preprocessing stage, the exact error is: ‘ Error.... .species has no elemental composition’ and ’Error.... .no thermodynamic properties for species’, has anyone encountered this or how to solve this problem?

[jcooper]

Hi: 

This error most often refers to the thermo file entry for the species that is mentioned.

Thermo files have a very strict format, and the letters and numbers that follow the species name on the first line have to be in specific places for the species elements to register.  The elemental description is shown below in bold:

 

H2O L 8/89H 2O 1 00 00G 200.000 3500.000 1000.000 1
3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14 2
-3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06 3
-5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01 9.90409200E+03 4

If these elements are incorrect, or incorrectly-placed, the specie could read as having 0 elements, and then you will get the error. Please check your thermo file entry for the species against the species composition and phase  (gas or liquid).  Compare the placement with that shown in the Chemkin Input manual format guidelines here:

https://ansyshelp.ansys.com/account/secured?returnurl=/Views/Secured/corp/v242/en/chemkin_in/ckin_therm_sec_defaut.html

 

 

I hope this helps.

 

Best Regards,

Judy