Constant-pressure, adiabatic kinetics simulation.

Requires: cantera >= 2.5.0, matplotlib >= 2.0
Keywords: combustion, reactor network, plotting

import sys

import cantera as ct

gas = ct.Solution('h2o2.yaml')
gas.TPX = 1001.0, ct.one_atm, 'H2:2,O2:1,N2:4'
r = ct.IdealGasConstPressureReactor(gas)

sim = ct.ReactorNet([r])
sim.verbose = True

# limit advance when temperature difference is exceeded
delta_T_max = 20.
r.set_advance_limit('temperature', delta_T_max)

dt_max = 1.e-5
t_end = 100 * dt_max
states = ct.SolutionArray(gas, extra=['t'])

print('{:10s} {:10s} {:10s} {:14s}'.format(
    't [s]', 'T [K]', 'P [Pa]', 'u [J/kg]'))
while sim.time < t_end:
    sim.advance(sim.time + dt_max)
    states.append(r.thermo.state, t=sim.time*1e3)
    print('{:10.3e} {:10.3f} {:10.3f} {:14.6f}'.format(
            sim.time, r.T, r.thermo.P, r.thermo.u))

# Plot the results if matplotlib is installed.
# See to get it.
if '--plot' in sys.argv[1:]:
    import matplotlib.pyplot as plt
    plt.subplot(2, 2, 1)
    plt.plot(states.t, states.T)
    plt.xlabel('Time (ms)')
    plt.ylabel('Temperature (K)')
    plt.subplot(2, 2, 2)
    plt.plot(states.t, states.X[:, gas.species_index('OH')])
    plt.xlabel('Time (ms)')
    plt.ylabel('OH Mole Fraction')
    plt.subplot(2, 2, 3)
    plt.plot(states.t, states.X[:, gas.species_index('H')])
    plt.xlabel('Time (ms)')
    plt.ylabel('H Mole Fraction')
    plt.subplot(2, 2, 4)
    plt.plot(states.t, states.X[:, gas.species_index('H2')])
    plt.xlabel('Time (ms)')
    plt.ylabel('H2 Mole Fraction')
    print("To view a plot of these results, run this script with the option --plot")