YAML Input File Reference

General Structure

This section of the documentation describes the sections of a YAML input file and how dimensional quantities with different units can be written.

Phase Definitions

This section describes how to define a phase, which includes specifying the species names, the thermodynamic model, the kinetics model, the transport model, and the initial state, as well as other, optional properties.

Elements

YAML element definitions are needed only when defining custom elements that are not standard chemical elements, or defining specific isotopes.

Species

Species definitions specify the name and composition of a species, and include entries defining parameters needed for species thermo, equation of state, transport property, and coverage dependency models.

Reactions

YAML reaction definitions include specification of common elements such as the reaction equation and efficiencies, as well as parameters specific to the type of rate parameterization.

Mechanism Conversion

Cantera provides scripts for converting mechanisms from the Chemkin (ck2yaml), LXCat (lxcat2yaml), CTI (cti2yaml), and CTML/XML (ctml2yaml) formats to YAML. Cantera also provides the yaml2ck script for converting YAML input files to the Chemkin format.