In the chemical kinetics mechanism of Chemkin (taking the ammonia/ethylene mechanism as an example), how to achieve the definition of a virtual ammonia in the mechanism, virtual inert ammonia (FNH3) has the same thermochemistry, transport data and third-body collision efficiency as normal active ammonia (NH3), but FNH3 cannot participate in any chemical reaction. By comparing different flame conditions, the chemical effects of NH3 can be clearly distinguished from the dilution and thermal effects. What parameters need to be replaced in the CHEMKIN trimechanism file?
August 3, 2023 at 1:42 pm
jcooper
Ansys Employee
Hi Shuai:
An inert can be included in a Chemkin mechanism by putting it in the thermo and transport files with a different name from its chemical twin (also in the species list for the mechanism). If it is completely excluded from any reactions, you will get a warning when the mechanism is pre-processed that it does not participate in any reaction. This is ok. It can also be used as a third body and diluent (if fed at an inlet in the resulting simulation).
Best Regards,
Judy
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