cantera/doc/sphinx/examples/input/index.md

Example Input Files

:::{admonition} 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.

:maxdepth: 2
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gri30
h2o2
diamond
lithium_ion_battery
covdepsurf
oxygen-plasma-itikawa