Example Input Files

The following example input files, demonstrate how some of the features of Cantera’s YAML format can be used to define phases, species, and reactions. These files are a subset of the input files included with Cantera.

h2o2.yaml

A basic gas phase reaction mechanism. Demonstrates multiple phase definitions using the same set of species, specification of transport properties, and parameters for the Redlich-Kwong equation of state.

diamond.yaml

A heterogenous reaction mechanism. Demonstrates defining surfaces and adjacent bulk phases and reading species definitions from other input files. This input file is used in the example diamond_cvd.py.

lithium_ion_battery.yaml

An input file for an LCO/graphite lithium-ion battery. Demonstrates multiple surface phase definitions, input for the binary-solution-tabulated thermo model, and electrochemical reactions. This input file is used in the example lithium_ion_battery.py.

covdepsurf.yaml

An input file for a surface phase where the non-ideal interactions between species are accounted for in the calculation of the enthalpy and entropy. Demonstrates the coverage-dependent-surface model and the corresponding coverage-dependencies field of the species entry. This input file is used in the example coverage_dependent_surf.py.

oxygen-plasma-itikawa.yaml

An input file representing some plasma interactions. Demonstrates the setup of a plasma phase, reactions parameterized using the two-temperature-plasma and electron-collision-plasma rate types, and the use of multiple reactions sections.