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

Represents a chemical reaction

reaction.ChemkinReaction

Chemkin reaction.

omkm.reaction.SurfaceReaction

Expresses OpenMKM surface reaction in Cantera CTI format reaction.


Reactions Objects

These classes model multiple reactions. Multiple reactions can be used together for phase diagrams, reaction coordinate diagrams, and other purposes.

reaction.Reactions

Contains multiple reactions.

reaction.ChemkinReaction

Chemkin reaction.

omkm.reaction.SurfaceReaction

Expresses OpenMKM surface reaction in Cantera CTI format reaction.


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

Represents a Bronsted Evans Polyani relationship.

omkm.reaction.BEP

Represents BEP relationships used by OpenMKM.