Key Points for Parameter Settings#
TROE Expression#
The rate equation in the mechanism file can be expressed not only using the conventional Arrhenius formula, but also using the TROE expression method.
See: manual2.8 P29
Mechanism File#
Leaving blank lines between lines in the mechanism file will cause an error!
When defining Troe, be sure to leave a space (one space is enough to write the first data).
Be cautious with the use of tab characters! It is recommended to use multiple space keys instead!
Frequently Asked Questions & Solutions#
ERROR: multiple definition of collision efficiency#
Multiple definitions of collision efficiency
Temporary solution: Delete some larger atoms through testing
Unable to calculate the entire pipeline#
Often due to inappropriate experimental parameters for packing
Error when using both non-adiabatic conditions and non-isothermal conditions simultaneously#
Like No correlations available for Nu calculation:Re
Consider the following:
- Whether the three parameters in
<wall></wall>are set, and note that the wall thickness cannot be set to 0, otherwise the adiabatic condition will be invalid - Through testing, it is found that
particle_diasignificantly affects whether the calculation can be performed. The current compromise is to consider changing the order of magnitude of this parameter and reducing the number of decimal places.