"""
Constant-pressure, adiabatic kinetics simulation.
"""

import sys
import numpy as np

import cantera as ct

gri3 = ct.Solution('gri30.xml')
air = ct.Solution('air.xml')

gri3.TPX = 1001.0, ct.one_atm, 'H2:2,O2:1,N2:4'
r = ct.IdealGasReactor(gri3)
env = ct.Reservoir(air)

# Define a wall between the reactor and the environment, and
# make it flexible, so that the pressure in the reactor is held
# at the environment pressure.
w = ct.Wall(r, env)
w.expansion_rate_coeff = 1.0e6  # set expansion parameter. dV/dt = KA(P_1 - P_2)
w.area = 1.0

sim = ct.ReactorNet([r])
time = 0.0
times = np.zeros(100)
data = np.zeros((100,4))

print('%10s %10s %10s %14s' % ('t [s]','T [K]','P [Pa]','u [J/kg]'))
for n in range(100):
    time += 1.e-5
    sim.advance(time)
    times[n] = time * 1e3  # time in ms
    data[n,0] = r.T
    data[n,1:] = r.thermo['OH','H','H2'].X
    print('%10.3e %10.3f %10.3f %14.6e' % (sim.time, r.T,
                                           r.thermo.P, r.thermo.u))

# Plot the results if matplotlib is installed.
# See http://matplotlib.org/ to get it.
if '--plot' in sys.argv[1:]:
    import matplotlib.pyplot as plt
    plt.clf()
    plt.subplot(2, 2, 1)
    plt.plot(times, data[:,0])
    plt.xlabel('Time (ms)')
    plt.ylabel('Temperature (K)')
    plt.subplot(2, 2, 2)
    plt.plot(times, data[:,1])
    plt.xlabel('Time (ms)')
    plt.ylabel('OH Mole Fraction')
    plt.subplot(2, 2, 3)
    plt.plot(times, data[:,2])
    plt.xlabel('Time (ms)')
    plt.ylabel('H Mole Fraction')
    plt.subplot(2, 2, 4)
    plt.plot(times,data[:,3])
    plt.xlabel('Time (ms)')
    plt.ylabel('H2 Mole Fraction')
    plt.tight_layout()
    plt.show()
else:
    print("To view a plot of these results, run this script with the option --plot")

@@ -141,38 +141,8 @@
 l')%0A
-air = ct.Solution('air.xml')%0A%0A
 gri3
@@ -200,16 +200,29 @@
 IdealGas
+ConstPressure
 Reactor(
@@ -230,303 +230,8 @@
 ri3)
-%0Aenv = ct.Reservoir(air)%0A%0A# Define a wall between the reactor and the environment, and%0A# make it flexible, so that the pressure in the reactor is held%0A# at the environment pressure.%0Aw = ct.Wall(r, env)%0Aw.expansion_rate_coeff = 1.0e6  # set expansion parameter. dV/dt = KA(P_1 - P_2)%0Aw.area = 1.0
 %0A%0Asi

Use constant pressure reactor instead of adding Wall