Reactions¶
Reaction Objects¶
These classes are used to model a single chemical reaction.
ChemkinReaction and
SurfaceReaction have additional formatting options
for the appropriate modeling software.
reaction.Reaction |
|
reaction.ChemkinReaction |
|
omkm.reaction.SurfaceReaction |
Reactions Objects¶
These classes model multiple reactions. Multiple reactions can be used together for phase diagrams, reaction coordinate diagrams, and other purposes.
reaction.Reactions |
|
reaction.ChemkinReaction |
|
omkm.reaction.SurfaceReaction |
BEP¶
Bronsted Evans Polyani relationships can be added to
Reaction objects so the activation energy can be
estimated using the change in enthalpy.
reaction.bep.BEP |
|
omkm.reaction.BEP |