mirror of
https://github.com/Cantera/cantera.git
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Added another example dir.
This commit is contained in:
Harry Moffat
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Makefile
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runtest
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air.xml
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ct2ctml.log
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diff_out_0.txt
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gri30.xml
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output_0.txt
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transport_log.xml
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15
Cantera/python/examples/reactors/sensitivity_sim/Makefile.in
Normal file
15
Cantera/python/examples/reactors/sensitivity_sim/Makefile.in
Normal file
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#!/bin/sh
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PYTHON_CMD = @PYTHON_CMD@
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run:
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$(PYTHON_CMD) sensitivity1.py
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test:
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./runtest
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clean:
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rm -f *.log *.csv *.xml
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./cleanup
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# end of file
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5
Cantera/python/examples/reactors/sensitivity_sim/cleanup
Executable file
5
Cantera/python/examples/reactors/sensitivity_sim/cleanup
Executable file
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#!/bin/sh
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#
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/bin/rm -rf equilibrate_log*.html
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/bin/rm -rf .cttmp* ct2ctml.log transport_log.xml vcs_equilibrate_res*.csv \
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catcomb.csv output_0.txt diff*
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@@ -0,0 +1,407 @@
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Adding reactor (none)
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Initializing reactor network.
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Reactor 0: 55 variables.
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10 sensitivity params.
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Number of equations: 55
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Maximum time step: 5e-06
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5.000e-06 1500.000 101325.000 9.070317e+05
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1.000e-05 1499.999 101325.000 9.070318e+05
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|
||||
1.235e-03 1701.732 101325.000 8.475738e+05
|
||||
1.240e-03 1702.103 101325.000 8.474785e+05
|
||||
1.245e-03 1702.468 101325.000 8.473849e+05
|
||||
1.250e-03 1702.826 101325.000 8.472929e+05
|
||||
1.255e-03 1703.178 101325.000 8.472025e+05
|
||||
1.260e-03 1703.524 101325.000 8.471136e+05
|
||||
1.265e-03 1703.865 101325.000 8.470262e+05
|
||||
1.270e-03 1704.199 101325.000 8.469404e+05
|
||||
1.275e-03 1704.528 101325.000 8.468560e+05
|
||||
1.280e-03 1704.851 101325.000 8.467730e+05
|
||||
1.285e-03 1705.169 101325.000 8.466914e+05
|
||||
1.290e-03 1705.481 101325.000 8.466113e+05
|
||||
1.295e-03 1705.788 101325.000 8.465324e+05
|
||||
1.300e-03 1706.090 101325.000 8.464549e+05
|
||||
1.305e-03 1706.387 101325.000 8.463787e+05
|
||||
1.310e-03 1706.679 101325.000 8.463038e+05
|
||||
1.315e-03 1706.966 101325.000 8.462301e+05
|
||||
1.320e-03 1707.248 101325.000 8.461577e+05
|
||||
1.325e-03 1707.526 101325.000 8.460865e+05
|
||||
1.330e-03 1707.799 101325.000 8.460164e+05
|
||||
1.335e-03 1708.068 101325.000 8.459475e+05
|
||||
1.340e-03 1708.332 101325.000 8.458797e+05
|
||||
1.345e-03 1708.592 101325.000 8.458130e+05
|
||||
1.350e-03 1708.847 101325.000 8.457474e+05
|
||||
1.355e-03 1709.099 101325.000 8.456829e+05
|
||||
1.360e-03 1709.346 101325.000 8.456194e+05
|
||||
1.365e-03 1709.590 101325.000 8.455570e+05
|
||||
1.370e-03 1709.829 101325.000 8.454955e+05
|
||||
1.375e-03 1710.065 101325.000 8.454351e+05
|
||||
1.380e-03 1710.297 101325.000 8.453756e+05
|
||||
1.385e-03 1710.525 101325.000 8.453170e+05
|
||||
1.390e-03 1710.750 101325.000 8.452594e+05
|
||||
1.395e-03 1710.971 101325.000 8.452027e+05
|
||||
1.400e-03 1711.189 101325.000 8.451469e+05
|
||||
1.405e-03 1711.403 101325.000 8.450920e+05
|
||||
1.410e-03 1711.614 101325.000 8.450379e+05
|
||||
1.415e-03 1711.821 101325.000 8.449846e+05
|
||||
1.420e-03 1712.026 101325.000 8.449322e+05
|
||||
1.425e-03 1712.227 101325.000 8.448806e+05
|
||||
1.430e-03 1712.425 101325.000 8.448298e+05
|
||||
1.435e-03 1712.620 101325.000 8.447798e+05
|
||||
1.440e-03 1712.812 101325.000 8.447305e+05
|
||||
1.445e-03 1713.001 101325.000 8.446820e+05
|
||||
1.450e-03 1713.188 101325.000 8.446342e+05
|
||||
1.455e-03 1713.371 101325.000 8.445871e+05
|
||||
1.460e-03 1713.552 101325.000 8.445408e+05
|
||||
1.465e-03 1713.730 101325.000 8.444951e+05
|
||||
1.470e-03 1713.906 101325.000 8.444502e+05
|
||||
1.475e-03 1714.078 101325.000 8.444058e+05
|
||||
1.480e-03 1714.249 101325.000 8.443622e+05
|
||||
1.485e-03 1714.416 101325.000 8.443192e+05
|
||||
1.490e-03 1714.582 101325.000 8.442768e+05
|
||||
1.495e-03 1714.745 101325.000 8.442350e+05
|
||||
1.500e-03 1714.905 101325.000 8.441939e+05
|
||||
1.505e-03 1715.063 101325.000 8.441533e+05
|
||||
1.510e-03 1715.219 101325.000 8.441134e+05
|
||||
1.515e-03 1715.373 101325.000 8.440740e+05
|
||||
1.520e-03 1715.524 101325.000 8.440351e+05
|
||||
1.525e-03 1715.674 101325.000 8.439969e+05
|
||||
1.530e-03 1715.821 101325.000 8.439591e+05
|
||||
1.535e-03 1715.966 101325.000 8.439219e+05
|
||||
1.540e-03 1716.109 101325.000 8.438853e+05
|
||||
1.545e-03 1716.250 101325.000 8.438491e+05
|
||||
1.550e-03 1716.389 101325.000 8.438134e+05
|
||||
1.555e-03 1716.526 101325.000 8.437783e+05
|
||||
1.560e-03 1716.661 101325.000 8.437436e+05
|
||||
1.565e-03 1716.795 101325.000 8.437094e+05
|
||||
1.570e-03 1716.926 101325.000 8.436757e+05
|
||||
1.575e-03 1717.056 101325.000 8.436424e+05
|
||||
1.580e-03 1717.184 101325.000 8.436096e+05
|
||||
1.585e-03 1717.310 101325.000 8.435773e+05
|
||||
1.590e-03 1717.435 101325.000 8.435454e+05
|
||||
1.595e-03 1717.557 101325.000 8.435139e+05
|
||||
1.600e-03 1717.679 101325.000 8.434828e+05
|
||||
1.605e-03 1717.798 101325.000 8.434521e+05
|
||||
1.610e-03 1717.916 101325.000 8.434219e+05
|
||||
1.615e-03 1718.033 101325.000 8.433921e+05
|
||||
1.620e-03 1718.148 101325.000 8.433626e+05
|
||||
1.625e-03 1718.261 101325.000 8.433335e+05
|
||||
1.630e-03 1718.373 101325.000 8.433049e+05
|
||||
1.635e-03 1718.483 101325.000 8.432765e+05
|
||||
1.640e-03 1718.592 101325.000 8.432486e+05
|
||||
1.645e-03 1718.700 101325.000 8.432210e+05
|
||||
1.650e-03 1718.806 101325.000 8.431938e+05
|
||||
1.655e-03 1718.911 101325.000 8.431669e+05
|
||||
1.660e-03 1719.014 101325.000 8.431404e+05
|
||||
1.665e-03 1719.116 101325.000 8.431142e+05
|
||||
1.670e-03 1719.217 101325.000 8.430883e+05
|
||||
1.675e-03 1719.317 101325.000 8.430628e+05
|
||||
1.680e-03 1719.415 101325.000 8.430376e+05
|
||||
1.685e-03 1719.512 101325.000 8.430127e+05
|
||||
1.690e-03 1719.608 101325.000 8.429881e+05
|
||||
1.695e-03 1719.703 101325.000 8.429638e+05
|
||||
1.700e-03 1719.796 101325.000 8.429398e+05
|
||||
1.705e-03 1719.889 101325.000 8.429162e+05
|
||||
1.710e-03 1719.980 101325.000 8.428928e+05
|
||||
1.715e-03 1720.070 101325.000 8.428696e+05
|
||||
1.720e-03 1720.159 101325.000 8.428468e+05
|
||||
1.725e-03 1720.247 101325.000 8.428243e+05
|
||||
1.730e-03 1720.334 101325.000 8.428020e+05
|
||||
1.735e-03 1720.420 101325.000 8.427800e+05
|
||||
1.740e-03 1720.505 101325.000 8.427582e+05
|
||||
1.745e-03 1720.589 101325.000 8.427367e+05
|
||||
1.750e-03 1720.671 101325.000 8.427155e+05
|
||||
1.755e-03 1720.753 101325.000 8.426945e+05
|
||||
1.760e-03 1720.834 101325.000 8.426738e+05
|
||||
1.765e-03 1720.914 101325.000 8.426533e+05
|
||||
1.770e-03 1720.993 101325.000 8.426331e+05
|
||||
1.775e-03 1721.071 101325.000 8.426130e+05
|
||||
1.780e-03 1721.148 101325.000 8.425933e+05
|
||||
1.785e-03 1721.224 101325.000 8.425737e+05
|
||||
1.790e-03 1721.300 101325.000 8.425544e+05
|
||||
1.795e-03 1721.374 101325.000 8.425353e+05
|
||||
1.800e-03 1721.448 101325.000 8.425164e+05
|
||||
1.805e-03 1721.521 101325.000 8.424977e+05
|
||||
1.810e-03 1721.593 101325.000 8.424792e+05
|
||||
1.815e-03 1721.664 101325.000 8.424610e+05
|
||||
1.820e-03 1721.734 101325.000 8.424429e+05
|
||||
1.825e-03 1721.804 101325.000 8.424251e+05
|
||||
1.830e-03 1721.873 101325.000 8.424075e+05
|
||||
1.835e-03 1721.941 101325.000 8.423900e+05
|
||||
1.840e-03 1722.008 101325.000 8.423728e+05
|
||||
1.845e-03 1722.075 101325.000 8.423557e+05
|
||||
1.850e-03 1722.140 101325.000 8.423388e+05
|
||||
1.855e-03 1722.205 101325.000 8.423221e+05
|
||||
1.860e-03 1722.270 101325.000 8.423056e+05
|
||||
1.865e-03 1722.334 101325.000 8.422893e+05
|
||||
1.870e-03 1722.397 101325.000 8.422731e+05
|
||||
1.875e-03 1722.459 101325.000 8.422571e+05
|
||||
1.880e-03 1722.520 101325.000 8.422413e+05
|
||||
1.885e-03 1722.581 101325.000 8.422257e+05
|
||||
1.890e-03 1722.642 101325.000 8.422102e+05
|
||||
1.895e-03 1722.701 101325.000 8.421949e+05
|
||||
1.900e-03 1722.761 101325.000 8.421798e+05
|
||||
1.905e-03 1722.819 101325.000 8.421648e+05
|
||||
1.910e-03 1722.877 101325.000 8.421499e+05
|
||||
1.915e-03 1722.934 101325.000 8.421353e+05
|
||||
1.920e-03 1722.991 101325.000 8.421208e+05
|
||||
1.925e-03 1723.047 101325.000 8.421064e+05
|
||||
1.930e-03 1723.102 101325.000 8.420922e+05
|
||||
1.935e-03 1723.157 101325.000 8.420781e+05
|
||||
1.940e-03 1723.211 101325.000 8.420642e+05
|
||||
1.945e-03 1723.265 101325.000 8.420504e+05
|
||||
1.950e-03 1723.318 101325.000 8.420367e+05
|
||||
1.955e-03 1723.371 101325.000 8.420232e+05
|
||||
1.960e-03 1723.423 101325.000 8.420098e+05
|
||||
1.965e-03 1723.475 101325.000 8.419966e+05
|
||||
1.970e-03 1723.526 101325.000 8.419835e+05
|
||||
1.975e-03 1723.576 101325.000 8.419705e+05
|
||||
1.980e-03 1723.626 101325.000 8.419577e+05
|
||||
1.985e-03 1723.676 101325.000 8.419450e+05
|
||||
1.990e-03 1723.725 101325.000 8.419324e+05
|
||||
1.995e-03 1723.773 101325.000 8.419199e+05
|
||||
2.000e-03 1723.822 101325.000 8.419076e+05
|
||||
To view a plot of these results, run this script with the option -plot
|
||||
44
Cantera/python/examples/reactors/sensitivity_sim/runtest.in
Executable file
44
Cantera/python/examples/reactors/sensitivity_sim/runtest.in
Executable file
@@ -0,0 +1,44 @@
|
||||
#!/bin/sh
|
||||
#
|
||||
#
|
||||
temp_success="1"
|
||||
/bin/rm -f output_0.txt diff_csv.txt diff_out_0.txt
|
||||
|
||||
##########################################################################
|
||||
PYTHON_CMD=@PYTHON_CMD@
|
||||
prog=sensitivity1.py
|
||||
if test ! -f $prog ; then
|
||||
echo $prog ' does not exist'
|
||||
exit -1
|
||||
fi
|
||||
#################################################################
|
||||
#
|
||||
CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
|
||||
CANTERA_BIN=${CANTERA_BIN:=../../../bin}
|
||||
|
||||
#################################################################
|
||||
|
||||
$PYTHON_CMD $prog > output_0.txt
|
||||
retnStat=$?
|
||||
if [ $retnStat != "0" ]
|
||||
then
|
||||
temp_success="0"
|
||||
echo "$prog returned with bad status, $retnStat, check output"
|
||||
fi
|
||||
|
||||
diff -w output_blessed_0.txt output_0.txt > diff_out_0.txt
|
||||
retnStat_0=$?
|
||||
|
||||
retnTotal=1
|
||||
if test $retnStat_0 = "0"
|
||||
then
|
||||
retnTotal=0
|
||||
fi
|
||||
|
||||
if test $retnTotal = "0"
|
||||
then
|
||||
echo "Successful test comparison on "`pwd`
|
||||
else
|
||||
echo "Unsuccessful test comparison of csv files on "`pwd` " test"
|
||||
fi
|
||||
|
||||
@@ -0,0 +1,97 @@
|
||||
"""
|
||||
|
||||
Constant-pressure, adiabatic kinetics simulation with sensitivity analysis
|
||||
|
||||
"""
|
||||
import sys
|
||||
|
||||
from Cantera import *
|
||||
from Cantera.Reactor import *
|
||||
from Cantera.Func import *
|
||||
|
||||
gri3 = GRI30()
|
||||
temp = 1500.0
|
||||
pres = OneAtm
|
||||
|
||||
gri3.set(T = temp, P = pres, X = 'CH4:0.1, O2:2, N2:7.52')
|
||||
r = Reactor(gri3)
|
||||
|
||||
air = Air()
|
||||
air.set(T = temp, P = pres)
|
||||
env = 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 = Wall(r,env)
|
||||
w.set(K = 1.0e6) # set expansion parameter. dV/dt = KA(P_1 - P_2)
|
||||
w.set(A = 1.0)
|
||||
|
||||
# enable sensitivity with respect to the rates of the first 10
|
||||
# reactions (reactions 0 through 9)
|
||||
r.addSensitivityReaction(reactions = range(10))
|
||||
|
||||
sim = ReactorNet([r])
|
||||
|
||||
# set the tolerances for the solution and for the sensitivity
|
||||
# coefficients
|
||||
sim.setTolerances(rtol = 1.0e-6, atol = 1.0e-15,
|
||||
rtolsens = 1.0e-5, atolsens = 1.0e-5)
|
||||
time = 0.0
|
||||
np = 400
|
||||
tim = zeros(np,'d')
|
||||
data = zeros([np,6],'d')
|
||||
|
||||
for n in range(np):
|
||||
time += 5.0e-6
|
||||
sim.advance(time)
|
||||
tim[n] = time
|
||||
data[n,0] = r.temperature()
|
||||
data[n,1] = r.moleFraction('OH')
|
||||
data[n,2] = r.moleFraction('H')
|
||||
data[n,3] = r.moleFraction('CH4')
|
||||
|
||||
# sensitivity of OH to reaction 2
|
||||
data[n,4] = sim.sensitivity('OH',2)
|
||||
|
||||
# sensitivity of OH to reaction 3
|
||||
data[n,5] = sim.sensitivity('OH',3)
|
||||
|
||||
print '%10.3e %10.3f %10.3f %14.6e' % (sim.time(), r.temperature(),
|
||||
r.pressure(), r.intEnergy_mass())
|
||||
#sim.sensitivity("OH",0))
|
||||
|
||||
|
||||
# plot the results if matplotlib is installed.
|
||||
# see http://matplotlib.sourceforge.net to get it
|
||||
args = sys.argv
|
||||
if len(args) > 1 and args[1] == '-plot':
|
||||
try:
|
||||
from matplotlib.pylab import *
|
||||
clf
|
||||
subplot(2,2,1)
|
||||
plot(tim,data[:,0])
|
||||
xlabel('Time (s)');
|
||||
ylabel('Temperature (K)');
|
||||
subplot(2,2,2)
|
||||
plot(tim,data[:,1])
|
||||
xlabel('Time (s)');
|
||||
ylabel('OH Mole Fraction');
|
||||
subplot(2,2,3)
|
||||
plot(tim,data[:,2]);
|
||||
xlabel('Time (s)');
|
||||
ylabel('H Mole Fraction');
|
||||
subplot(2,2,4)
|
||||
plot(tim,data[:,3]);
|
||||
xlabel('Time (s)');
|
||||
ylabel('H2 Mole Fraction');
|
||||
figure(2)
|
||||
plot(tim,data[:,4],'-',tim,data[:,5],'-g')
|
||||
legend([r.sensParamName(2),r.sensParamName(3)],'best')
|
||||
xlabel('Time (s)');
|
||||
ylabel('OH Sensitivity');
|
||||
show()
|
||||
except:
|
||||
print 'could not make plots'
|
||||
else:
|
||||
print """To view a plot of these results, run this script with the option -plot"""
|
||||
Reference in New Issue
Block a user