Get comprehensive thermodynamic and transport properties of a lab bench mixture.

Returns temperature, pressure, density, enthalpy, entropy, heat capacities, viscosity, thermal conductivity, speed of sound, and mole fractions.

Equilibrate a lab bench mixture to a state of chemical equilibrium.

This simulation updates the state of the mixture on the lab bench. Returns the final state, heat release, and Gibbs free energy change.

Calculate the adiabatic flame temperature for combustion of a fuel with an oxidizer.

Get detailed thermodynamic properties for a specific species from a mechanism file.

List commonly available Cantera mechanism files with descriptions.

List all species defined in a Cantera mechanism file.

Calculate thermodynamic properties for a specific species with automatic database fallback.

Searches GRI-Mech 3.0 first (fast, common combustion species), then falls back to the NASA Gas Database for broader coverage (~1000+ species including noble gases, metals, etc.).

Check which database contains specific species.

Useful for planning simulations and verifying species availability before calculations. Searches GRI-Mech 3.0 and NASA Gas Database.

Calculate equilibrium temperature and products for metal-oxygen/air combustion.

Builds a dynamic mechanism by extracting species from NASA thermodynamic databases (nasa_gas.yaml and nasa_condensed.yaml) and calculates the equilibrium state including both gas and condensed (solid/liquid) phases.

Supported metals include: Fe, Al, Mg, Ti, Zn, Cu, Cr, Mn, Ni, Co, and more.

Create a named mixture on the lab bench for kinetic analysis.

This stores a Cantera Solution object that can be used for subsequent reaction rate and pathway analysis. The mixture retains its state until modified or replaced.

List all mixtures currently stored on the lab bench.

Get a list of the fastest reactions currently occurring in a mixture.

Use this to understand which reactions dominate under current conditions. The mixture must first be created on the lab bench using create_lab_mixture.

Identify which reactions are creating or consuming a specific species.

Critical for pathway analysis (e.g., 'Where is the NO coming from?' or 'What reactions consume OH?'). The mixture must first be created on the lab bench using create_lab_mixture.

Simulate a Constant Pressure (Ideal Gas) Batch Reactor over time.

Use this to see how temperature and composition evolve during combustion or other chemical reactions. The mixture state on the lab bench is updated to the final reacted state after simulation.

Calculate the auto-ignition delay time of the mixture.

Defined as the time point where the temperature rise is steepest (dT/dt is max). This is commonly used for characterizing fuel reactivity and validating chemical kinetic mechanisms.

Note: This tool does NOT update the lab bench mixture state to preserve the original mixture for other tests.