2528df0f75
These changes make it unnecessary to copy header files around during the build process, which tends to confuse IDEs and debuggers. The headers which comprise Cantera's external C++ interface are now in the 'include' directory. All of the samples and demos are now in the 'samples' subdirectory.
71 lines
1.8 KiB
Python
71 lines
1.8 KiB
Python
"""
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Constant-pressure, adiabatic kinetics simulation.
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"""
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import sys
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from Cantera import *
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from Cantera.Reactor import *
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from Cantera.Func import *
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from Cantera import rxnpath
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gri3 = GRI30()
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gri3.set(T = 1001.0, P = OneAtm, X = 'H2:2,O2:1,N2:4')
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r = Reactor(gri3)
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env = Reservoir(Air())
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# Define a wall between the reactor and the environment, and
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# make it flexible, so that the pressure in the reactor is held
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# at the environment pressure.
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w = Wall(r,env)
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w.set(K = 1.0e6) # set expansion parameter. dV/dt = KA(P_1 - P_2)
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w.set(A = 1.0)
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sim = ReactorNet([r])
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time = 0.0
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tim = zeros(100,'d')
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data = zeros([100,5],'d')
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for n in range(100):
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time += 1.e-5
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sim.advance(time)
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tim[n] = time
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data[n,0] = r.temperature()
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data[n,1] = r.moleFraction('OH')
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data[n,2] = r.moleFraction('H')
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data[n,3] = r.moleFraction('H2')
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print '%10.3e %10.3f %10.3f %14.6e' % (sim.time(), r.temperature(),
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r.pressure(), r.intEnergy_mass())
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# plot the results if matplotlib is installed.
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# see http://matplotlib.sourceforge.net to get it
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args = sys.argv
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if len(args) > 1 and args[1] == '-plot':
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try:
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from matplotlib.pylab import *
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clf
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subplot(2,2,1)
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plot(tim,data[:,0])
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xlabel('Time (s)');
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ylabel('Temperature (K)');
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subplot(2,2,2)
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plot(tim,data[:,1])
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xlabel('Time (s)');
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ylabel('OH Mole Fraction');
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subplot(2,2,3)
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plot(tim,data[:,2]);
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xlabel('Time (s)');
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ylabel('H Mole Fraction');
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subplot(2,2,4)
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plot(tim,data[:,3]);
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xlabel('Time (s)');
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ylabel('H2 Mole Fraction');
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show()
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except:
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pass
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else:
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print """To view a plot of these results, run this script with the option -plot"""
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