Quickstart

This page shows the shortest path from mechanism loading to useful outputs.

Create a gas object

from canterax import Solution

gas = Solution("gri30.yaml")
gas.TPX = 1500.0, 101325.0, "CH4:1, O2:2, N2:7.52"

Query common properties

print(gas.cp_mass)
print(gas.cv_mass)
print(gas.enthalpy_mole)
print(gas.viscosity)
print(gas.thermal_conductivity)

Switch between mass and molar basis

Several aliases follow the active basis.

gas = Solution("gri30.yaml")
gas.TPX = 1200.0, 101325.0, "H2:2, O2:1, N2:3.76"

gas.basis = "mass"
print(gas.h, gas.cp, gas.v)

gas.basis = "molar"
print(gas.h, gas.cp, gas.v)

Reuse the same state with alternate setters

gas = Solution("gri30.yaml")
gas.TPX = 1200.0, 2 * 101325.0, "CH4:1, O2:2, N2:7.52"

h, p, y = gas.HPY
gas.HPY = h, p, y

u, v, x = gas.UVX
gas.UVX = u, v, x

s, p = gas.SP
gas.SP = s, p

Compute equilibrium

gas = Solution("gri30.yaml")
gas.TPX = 2000.0, 101325.0, "CH4:1, O2:2, N2:7.52"
gas.equilibrate("TP")

gas = Solution("gri30.yaml")
gas.TPX = 1500.0, 101325.0, "CH4:1, O2:2, N2:7.52"
gas.equilibrate("HP")

Run a reactor trajectory

import cantera as ct
import jax.numpy as jnp

from canterax import ReactorNet, Solution

gas = Solution("gri30.yaml")
gas.TPX = 1200.0, ct.one_atm, "CH4:1.0, O2:2.0, N2:7.52"

net = ReactorNet(gas.mech)
result = net.advance(
    T0=gas.T,
    P=gas.P,
    Y0=jnp.array(gas.Y),
    t_end=1e-3,
)

The result from the default Diffrax path exposes time samples in result.ts and states in result.ys. The first state component is temperature; the remaining entries are species mass fractions.

Where to go next