cantera

1# Cantera: homogeneous ignition calculations
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3## When to use
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5Use for a closed, adiabatic, homogeneous ideal-gas reactor with a known kinetic mechanism,
6initial temperature, pressure, and mole composition. The bundled helper runs both constant
7volume and constant pressure cases and reports a precisely defined temperature-based delay.
8It is not a flame solver or a general reactor-network builder.
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10A calculation completing successfully establishes numerical execution, not mechanism
11validity for the fuel, pressure, temperature, diluent, or measured ignition observable.
12Read [references/interpretation.md](references/interpretation.md) when choosing a mechanism,
13comparing experiments, or interpreting unresolved/two-stage ignition.
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15## Workflow
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171. Identify the mechanism and its validated condition range. Preserve its source, version,
18   citation, and any modifications. Check that its phase is `ideal-gas` and that every
19   reactant, diluent, and tracked species exists. For custom YAML with imports, retain the
20   original dependency files as well as the generated phase snapshot. Custom Python rate
21   extensions additionally need their original code and environment for replay.
222. Choose constant volume or constant pressure from the physical experiment. Supply K,
23   Pa, seconds, and mole amounts explicitly. `mole_amounts` is normalized to mole fractions;
24   it is not a mass-fraction mapping. The report includes the normalized initial composition.
25…