Examples
The repository examples are executable entry points. Some require prepared mechanism sidecars or an optional Julia environment; each script describes its inputs near the top. Run commands from the repository root unless noted.
Reactors
- Constant-pressure ignition: adiabatic H₂/O₂/Ar ignition with QNDF.
- Constant-volume ignition: closed constant-volume ignition.
- Isothermal reactor: compare constant-pressure and constant-volume reactors.
- Reactor networks: flow devices, stream mixing, heat-transfer walls, and pistons.
- Engine: a moving-piston model with prescribed injection and valves.
- Plasma reactors and nanosecond-pulse discharge.
Flames
- Free premixed flame: transport-stage sequence for H₂/O₂/Ar.
- Burner-stabilized flame: prescribed inlet mass flux.
- Fixed-temperature burner flame: measured temperature profile.
- Counterflow diffusion, opposed premixed, and twin premixed.
- Inert-wall impinging flame and catalytic impinging flame.
- Initial guess and restart workflow and ionized flames.
Thermodynamics, transport, and chemistry
- Thermodynamic calculations: equilibrium, sound speeds, stream mixing, and nozzles.
- Gas and condensed-phase equilibrium: gas/graphite equilibrium.
- Real-gas properties: Redlich–Kwong and Helmholtz-based calculations.
- Parallel transport sweep: viscosity and thermal conductivity over a temperature range.
- Surface chemistry and catalytic flow: surface kinetics, catalytic reactors, and diamond growth.
- Electron-energy distribution and Blowers–Masel rates.
- Mechanism preprocessing: exporters for kinetics, transport, surface, condensed-phase, and real-gas data.