Conversion Error: cti to yaml using Cantera 3.0

[Mohammed Niyasdeen]

Hello everyone,
I'm currently working on a project that involves converting a cti file to a yaml file using Cantera 3.0. I've attached both the cti and yaml files to this post for reference.

However, I've encountered a specific error (see below) during the conversion process, and I'm seeking some guidance to resolve it.

*******************************************************************************
CanteraError thrown by addReactions:
*******************************************************************************
InputFileError thrown by Reaction::setEquation:
Error on line 183 of ./ModQGMech.yaml:
Reactants for reaction 'CO + O <=> CO2 + M'
do not contain a valid third body collider
|  Line |
|   178 |   note: L8/89
|   179 |
|   180 | reactions:
|   181 | - equation: C2H4 + O2 <=> 2 CO + 2 H2  # Reaction 1
|   182 |   rate-constant: {A: 1.0e+15, b: 0.0, Ea: 4.5e+04}
>   183 > - equation: CO + O <=> CO2 + M  # Reaction 2
            ^
|   184 |   type: three-body
|   185 |   rate-constant: {A: 5.3e+13, b: 0.0, Ea: -4540.0}
|   186 |   efficiencies: {H2: 1.0, H2O: 16.0, C2H4: 1.0, O2: 1.0, CO: 1.0, OH: 1.0,
*******************************************************************************

If anyone has experience with this type of conversion or has encountered a similar issue, I would greatly appreciate your insights and suggestions on how to address this error.

Thank you in advance for your assistance!

Best regards,
Niyas

[吳昀叡]

Hello, 

This reaction is a third-body reaction and requires a description of third-body reactants (M) on both sides of equation. You can try co+o+M and the error should be fixed.

Mohammed Niyasdeen <niyasd...@gmail.com>於 2023年9月7日 週四，下午5:37寫道：

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[Mohammed Niyasdeen]

Thank you YunJui...It worked very well.