Reply To: Problem of surface kinetic input file for BSS ethylene flames (Flame C3) (SOOT)

[jcooper]

Hi:

I am not sure what the site specie is in your example, but let's assume it is carbon ( C(S) ) on a soot particle.

For site species you need a declaration of site species in the reaction mechanism, like this:

SITE/SOOT/          SDEN/2.2524E-09/
C(S)

OPEN(S)

END

You can then use the site species in a reaction as below:

C(S) + O2 --> CO2(g) + OPEN(s)

There must be a site balance for the reaction, so we introduce the dummy specie OPEN(S)

 OPEN(S) will have the same thermo entry as the specie that left it ( C(s) ), so that the properites balance, but OPEN(S) has no elements. (Note below in the THERMO entries that there is no H next to the 0 as there is for H(SE))

Site species usually exist on a MATERIAL, which I did not include in my example. The above example in grey is more complete and describes how to setup surface reactions on a dispersed solid 

You can find this described in the ChemkinTheory manual here:

https://ansyshelp.ansys.com/public////Views/Secured/corp/v242/en/chemkin_th/pgfId-1316318.html