[CFDger]

Hello,



I am trying to implement a 11 species (O2, O, NO, N, N2, NO+, N2+, O2+, O+, N+, E) reaction model into Ansys Fluent but I receive the following error message:
"Thermo data of species e was not found, or species cp type not handledError at host: Memory allocation failed during Chemkin mechanism import"
The source for my therm.dat file is Burcat's Thermodynamic Database (7 coefficient polynomials for cp(T)): http://garfield.chem.elte.hu/Burcat/THERM.DAT
Obviously this doesn't contain information regarding the electron. So my question is how to set up a simulation with an electron and ionic species in Ansys Fluent?




Source of kinetics input file: Nonequilibrium Hypersonic Aerothermodynamics, C. Park (1990)



Thank you!

[CuriousCFD]

Hi,

I know it's been a while.

Did you manage to figure out how to correctly add the electron/ions into fluent or find the required properties to do so?

[tomchiah]

Hi you would need to define E under ELEMENTS first and here are a thermodynamics properties of electron that i found
E electron gas g12/98E 1. 0. 0. 0.G 298.150 6000.000 1000. 1
2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
-7.45375000E+02-1.17208122E+01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00-7.45375000E+02-1.17208122E+01 0.00000000E+00 4

For ions similar as well you can find from some database, however it seems that there is lack of data for ion species, I had difficulty on finding them too. Besides, looks like the thermodynamics data can be generate via a software known as reaction mechanism generator, you can go look into it if you are interested.

[134_me]

Hi Everyone,
I need a little help. I am trying to club in both the gas phase and surface kinetics for carbon dioxide methanation reaction. I am wondering where I can find the thermodynamic data for surface species like O(s), HCO(S) etc, I have pasted the link here for (Chemkin Thermodynamic Data Base), but in this I can't find the data for surface species. I am bit new to this therefore I need some help. I would really appreciate it.

https://www.osti.gov/servlets/purl/7073290