Example Input Files#

Disclaimer

Input files distributed with Cantera are provided for illustration purposes only. Users should consult the primary literature to identify suitable mechanisms before making a selection for research or applications.

The following example input files demonstrate how features of Cantera’s YAML format can be used to define phases, species, and reactions. The files listed below represent a subset of the input files distributed with Cantera.

gri30.yaml: GRI-Mech 3.0, released in 1999, is a detailed chemical kinetic mechanism for natural gas combustion and NOx formation. While it remains suitable for teaching and illustration purposes, it should otherwise be used with caution.
h2o2.yaml: A basic gas-phase reaction mechanism based on GRI-Mech 3.0. 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.
example_data/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.
example_data/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.