Kinetic Models¶

Chemkin¶

Classes and functions related to writing Chemkin files. Please note these modules were written specifically for the Vlachos group’s in-house version. Features may or may not be supported in the commercial version.

Classes¶

`chemkin.CatSite`
`reaction.ChemkinReaction`

Input and Output¶

`io.chemkin.read_reactions`
`io.chemkin.write_EA`
`io.chemkin.write_gas`
`io.chemkin.write_surf`
`io.chemkin.write_T_flow`
`io.chemkin.write_tube_mole`

Examples¶

Chemkin_IO

Cantera¶

Classes and functions related to Cantera. This functionality is still in its early stages.

Phases¶

`cantera.phase.Phase`
`cantera.phase.IdealGas`
`cantera.phase.StoichSolid`

Units¶

cantera.units.Units

Input and Output¶

io.cantera.obj_to_cti

OpenMKM¶

Classes and functions related to OpenMKM. This functionality is still in its early stages.

Phases¶

`omkm.phase.IdealGas`
`omkm.phase.StoichSolid`
`omkm.phase.InteractingInterface`

Reactions¶

`omkm.reaction.SurfaceReaction`
`omkm.reaction.BEP`

Units¶

omkm.units.Units

Input and Output¶

`io.omkm.write_cti`
`io.omkm.write_yaml`
`io.omkm.get_species_phases`
`io.omkm.get_reactions_phases`
`io.omkm.get_interactions_phases`
`io.omkm.organize_phases`

Examples¶

OpenMKM_IO

Zacros¶

Classes related to Zacros.

Classes¶

empirical.zacros.Zacros