ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
Duplicate surface reactions with different kinetics
@davidfarinajr is already working on this.
Since Jul 9, 2020.
- Dominant language
- Python
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- 2
Description
Found two pairs of duplicate reactions for surface_abstraction_vdW family that matched different nodes in the family tree, and therefore, had different kinetics (see screenshots below). I used experimental branches to generate this model:
RMG-Py: https://github.com/davidfarinajr/RMG-Py/tree/HAN_surface_equil
RMG-database: https://github.com/davidfarinajr/RMG-database/tree/HAN_training_reactions
Not sure if I created this problem with my changes on those branches, or if it is a problem related to https://github.com/ReactionMechanismGenerator/RMG-database/pull/385
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