Minor reactor example updates

interfaces/cython/cantera/examples/reactors/combustor.py

@@ -73,12 +73,9 @@ def mdot(t):
     states.append(combustor.thermo.state, tres=residence_time)
     residence_time *= 0.9  # decrease the residence time for the next iteration
 
-# Heat release rate [W/m^3]
-Q = - np.sum(states.net_production_rates * states.partial_molar_enthalpies, axis=1)
-
 # Plot results
 f, ax1 = plt.subplots(1, 1)
-ax1.plot(states.tres, Q, '.-', color='C0')
+ax1.plot(states.tres, states.heat_release_rate, '.-', color='C0')
 ax2 = ax1.twinx()
 ax2.plot(states.tres[:-1], states.T[:-1], '.-', color='C1')
 ax1.set_xlabel('residence time [s]')

interfaces/cython/cantera/examples/reactors/fuel_injection.py

@@ -15,6 +15,7 @@
 
 # Use a reduced n-dodecane mechanism with PAH formation pathways
 gas = ct.Solution('nDodecane_Reitz.yaml', 'nDodecane_IG')
+gas.case_sensitive_species_names = True
 
 # Create a Reservoir for the fuel inlet, set to pure dodecane
 gas.TPX = 300, 20*ct.one_atm, 'c12h26:1.0'
@@ -59,31 +60,40 @@ def fuel_mdot(t):
         tprev = tnow
         states.append(r.thermo.state, t=tnow)
 
-# nice names for species
-labels = {
+# nice names for species, including PAH species that can be considered
+# as precursors to soot formation
+species_aliases = {
+    'o2': 'O$_2$',
+    'h2o': 'H$_2$O',
+    'co': 'CO',
+    'co2': 'CO$_2$',
+    'h2': 'H$_2$',
+    'ch4': 'CH$_4$'
+}
+for name, alias in species_aliases.items():
+    gas.add_species_alias(name, alias)
+
+pah_aliases = {
     'A1c2h': 'phenylacetylene',
     'A1c2h3': 'styrene',
     'A1': 'benzene',
     'A2': 'naphthalene',
     'A2r5': 'acenaphthylene',
     'A3': 'phenanthrene',
-    'A4': 'pyrene',
-    'o2': 'O$_2$',
-    'h2o': 'H$_2$O',
-    'co2': 'CO$_2$',
-    'h2': 'H$_2$',
-    'ch4': 'CH$_4$'
+    'A4': 'pyrene'
 }
+for name, alias in pah_aliases.items():
+    gas.add_species_alias(name, alias)
 
-# Plot the concentrations of some species of interest, including PAH species
-# which can be considered as precursors to soot formation.
+# Plot the concentrations of species of interest
 f, ax = plt.subplots(1, 2)
 
-for s in ['o2', 'h2o', 'co2', 'CO', 'h2', 'ch4']:
-    ax[0].plot(states.t, states(s).X, label=labels.get(s, s))
+for s in species_aliases.values():
+    ax[0].plot(states.t, states(s).X, label=s)
+
+for s in pah_aliases.values():
+    ax[1].plot(states.t, states(s).X, label=s)
 
-for s in ['A1c2h', 'A1c2h3', 'A2r5', 'A1', 'A2', 'A3', 'A4']:
-    ax[1].plot(states.t, states(s).X, label=labels[s])
 for a in ax:
     a.legend(loc='best')
     a.set_xlabel('time [s]')

interfaces/cython/cantera/examples/reactors/periodic_cstr.py

@@ -82,9 +82,16 @@
     network.advance(t)
     states.append(cstr.thermo.state, t=t)
 
+aliases = {'H2': 'H$_2$', 'O2': 'O$_2$', 'H2O': 'H$_2$O'}
+for name, alias in aliases.items():
+    gas.add_species_alias(name, alias)
+
 if __name__ == '__main__':
     print(__doc__)
     plt.figure(1)
-    plt.plot(states.t, states('H2', 'O2', 'H2O').Y)
-    plt.title('Mass Fractions')
+    for spc in aliases.values():
+        plt.plot(states.t, states(spc).Y, label=spc)
+    plt.legend(loc='upper right')
+    plt.xlabel('time [s]')
+    plt.ylabel('mass fraction')
     plt.show()

interfaces/cython/cantera/examples/reactors/piston.py

@@ -53,8 +53,8 @@ def v(t):
 
 net = ct.ReactorNet([r1, r2])
 
-states1 = ct.SolutionArray(r1.thermo, extra=['t', 'v'])
-states2 = ct.SolutionArray(r2.thermo, extra=['t', 'v'])
+states1 = ct.SolutionArray(r1.thermo, extra=['t', 'volume'])
+states2 = ct.SolutionArray(r2.thermo, extra=['t', 'volume'])
 
 for n in range(200):
     time = (n+1)*0.001
@@ -63,8 +63,8 @@ def v(t):
         print(fmt.format(time, r1.T, r2.T, r1.volume, r2.volume,
                          r1.volume + r2.volume, r2.thermo['CO'].X[0]))
 
-    states1.append(r1.thermo.state, t=1000*time, v=r1.volume)
-    states2.append(r2.thermo.state, t=1000*time, v=r2.volume)
+    states1.append(r1.thermo.state, t=1000*time, volume=r1.volume)
+    states2.append(r2.thermo.state, t=1000*time, volume=r2.volume)
 
 # plot the results if matplotlib is installed.
 if '--plot' in sys.argv:
@@ -74,8 +74,8 @@ def v(t):
     plt.xlabel('Time (ms)')
     plt.ylabel('Temperature (K)')
     plt.subplot(2, 2, 2)
-    plt.plot(states1.t, states1.v, '-', states2.t, states2.v, 'r-',
-             states1.t, states1.v + states2.v, 'g-')
+    plt.plot(states1.t, states1.volume, '-', states2.t, states2.volume, 'r-',
+             states1.t, states1.volume + states2.volume, 'g-')
     plt.xlabel('Time (ms)')
     plt.ylabel('Volume (m3)')
     plt.subplot(2, 2, 3)

interfaces/cython/cantera/examples/thermo/sound_speed.py

@@ -8,7 +8,7 @@
 import math
 
 
-def equilSoundSpeeds(gas, rtol=1.0e-6, maxiter=5000):
+def equilSoundSpeeds(gas, rtol=1.0e-6, max_iter=5000):
     """
     Returns a tuple containing the equilibrium and frozen sound speeds for a
     gas with an equilibrium composition.  The gas is first set to an
@@ -17,7 +17,7 @@ def equilSoundSpeeds(gas, rtol=1.0e-6, maxiter=5000):
     """
 
     # set the gas to equilibrium at its current T and P
-    gas.equilibrate('TP', rtol=rtol, maxiter=maxiter)
+    gas.equilibrate('TP', rtol=rtol, max_iter=max_iter)
 
     # save properties
     s0 = gas.s
@@ -35,7 +35,7 @@ def equilSoundSpeeds(gas, rtol=1.0e-6, maxiter=5000):
     afrozen = math.sqrt((p1 - p0)/(gas.density - r0))
 
     # now equilibrate the gas holding S and P constant
-    gas.equilibrate('SP', rtol=rtol, maxiter=maxiter)
+    gas.equilibrate('SP', rtol=rtol, max_iter=max_iter)
 
     # equilibrium sound speed
     aequil = math.sqrt((p1 - p0)/(gas.density - r0))