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This commit is contained in:
Harry Moffat
2009-03-24 15:02:17 +00:00
parent ca49dd8a11
commit bc14249566
6 changed files with 251 additions and 0 deletions
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9
Cantera/python/examples/reactors/reactor1_sim/.cvsignore Normal file
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Makefile
runtest
air.xml
ct2ctml.log
diff_out_0.txt
gri30.xml
output_0.txt
transport_log.xml

15
Cantera/python/examples/reactors/reactor1_sim/Makefile.in Normal file
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#!/bin/sh
PYTHON_CMD = @PYTHON_CMD@
run:
$(PYTHON_CMD) reactor1.py
test:
./runtest
clean:
rm -f *.log *.csv *.xml
./cleanup
# end of file

5
Cantera/python/examples/reactors/reactor1_sim/cleanup Executable file
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#!/bin/sh
#
/bin/rm -rf equilibrate_log*.html
/bin/rm -rf .cttmp* ct2ctml.log transport_log.xml vcs_equilibrate_res*.csv \
catcomb.csv output_0.txt diff*

107
Cantera/python/examples/reactors/reactor1_sim/output_blessed_0.txt Normal file
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Adding reactor (none)
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 1e-05
1.000e-05 1001.000 101325.000 6.207690e+05
2.000e-05 1001.000 101325.000 6.207690e+05
3.000e-05 1001.000 101325.000 6.207690e+05
4.000e-05 1001.000 101325.000 6.207690e+05
5.000e-05 1001.000 101325.000 6.207690e+05
6.000e-05 1001.000 101325.000 6.207690e+05
7.000e-05 1001.000 101325.000 6.207690e+05
8.000e-05 1001.000 101325.000 6.207689e+05
9.000e-05 1001.001 101325.000 6.207689e+05
1.000e-04 1001.001 101325.000 6.207687e+05
1.100e-04 1001.001 101325.000 6.207686e+05
1.200e-04 1001.002 101325.000 6.207683e+05
1.300e-04 1001.003 101325.000 6.207679e+05
1.400e-04 1001.005 101325.000 6.207673e+05
1.500e-04 1001.008 101325.000 6.207663e+05
1.600e-04 1001.012 101325.000 6.207648e+05
1.700e-04 1001.019 101325.000 6.207625e+05
1.800e-04 1001.030 101325.000 6.207588e+05
1.900e-04 1001.047 101325.000 6.207528e+05
2.000e-04 1001.075 101325.000 6.207432e+05
2.100e-04 1001.121 101325.000 6.207272e+05
2.200e-04 1001.200 101325.000 6.206998e+05
2.300e-04 1001.340 101325.000 6.206504e+05
2.400e-04 1001.605 101325.000 6.205558e+05
2.500e-04 1002.143 101325.000 6.203619e+05
2.600e-04 1003.307 101325.000 6.199378e+05
2.700e-04 1005.923 101325.000 6.189783e+05
2.800e-04 1011.832 101325.001 6.168061e+05
2.900e-04 1025.565 101325.002 6.117616e+05
3.000e-04 1061.254 101325.005 5.986875e+05
3.100e-04 1190.878 101325.025 5.516319e+05
3.200e-04 1697.346 101325.031 3.765609e+05
3.300e-04 1941.729 101325.013 2.989367e+05
3.400e-04 2076.014 101325.008 2.577823e+05
3.500e-04 2167.614 101325.006 2.303060e+05
3.600e-04 2236.254 101325.005 2.100293e+05
3.700e-04 2290.521 101325.004 1.941860e+05
3.800e-04 2334.939 101325.003 1.813403e+05
3.900e-04 2372.182 101325.002 1.706537e+05
4.000e-04 2403.962 101325.002 1.615951e+05
4.100e-04 2431.439 101325.002 1.538073e+05
4.200e-04 2455.437 101325.002 1.470392e+05
4.300e-04 2476.561 101325.001 1.411075e+05
4.400e-04 2495.271 101325.001 1.358740e+05
4.500e-04 2511.922 101325.001 1.312321e+05
4.600e-04 2526.798 101325.001 1.270977e+05
4.700e-04 2540.129 101325.001 1.234029e+05
4.800e-04 2552.105 101325.001 1.200920e+05
4.900e-04 2562.883 101325.001 1.171187e+05
5.000e-04 2572.599 101325.001 1.144441e+05
5.100e-04 2581.367 101325.001 1.120348e+05
5.200e-04 2589.287 101325.001 1.098621e+05
5.300e-04 2596.447 101325.000 1.079011e+05
5.400e-04 2602.923 101325.000 1.061300e+05
5.500e-04 2608.782 101325.000 1.045295e+05
5.600e-04 2614.086 101325.000 1.030826e+05
5.700e-04 2618.887 101325.000 1.017741e+05
5.800e-04 2623.235 101325.000 1.005906e+05
5.900e-04 2627.172 101325.000 9.951996e+04
6.000e-04 2630.738 101325.000 9.855127e+04
6.100e-04 2633.967 101325.000 9.767481e+04
6.200e-04 2636.891 101325.000 9.688179e+04
6.300e-04 2639.539 101325.000 9.616426e+04
6.400e-04 2641.936 101325.000 9.551510e+04
6.500e-04 2644.107 101325.000 9.492782e+04
6.600e-04 2646.073 101325.000 9.439660e+04
6.700e-04 2647.852 101325.000 9.391615e+04
6.800e-04 2649.462 101325.000 9.348169e+04
6.900e-04 2650.919 101325.000 9.308889e+04
7.000e-04 2652.237 101325.000 9.273384e+04
7.100e-04 2653.429 101325.000 9.241300e+04
7.200e-04 2654.507 101325.000 9.212314e+04
7.300e-04 2655.482 101325.000 9.186136e+04
7.400e-04 2656.363 101325.000 9.162503e+04
7.500e-04 2657.159 101325.000 9.141176e+04
7.600e-04 2657.878 101325.000 9.121938e+04
7.700e-04 2658.528 101325.000 9.104594e+04
7.800e-04 2659.114 101325.000 9.088965e+04
7.900e-04 2659.642 101325.000 9.074891e+04
8.000e-04 2660.119 101325.000 9.062226e+04
8.100e-04 2660.549 101325.000 9.050838e+04
8.200e-04 2660.935 101325.000 9.040607e+04
8.300e-04 2661.283 101325.000 9.031424e+04
8.400e-04 2661.596 101325.000 9.023191e+04
8.500e-04 2661.878 101325.000 9.015819e+04
8.600e-04 2662.130 101325.000 9.009228e+04
8.700e-04 2662.356 101325.000 9.003343e+04
8.800e-04 2662.559 101325.000 8.998099e+04
8.900e-04 2662.740 101325.000 8.993435e+04
9.000e-04 2662.902 101325.000 8.989297e+04
9.100e-04 2663.046 101325.000 8.985636e+04
9.200e-04 2663.174 101325.000 8.982407e+04
9.300e-04 2663.287 101325.000 8.979569e+04
9.400e-04 2663.388 101325.000 8.977085e+04
9.500e-04 2663.476 101325.000 8.974923e+04
9.600e-04 2663.554 101325.000 8.973051e+04
9.700e-04 2663.622 101325.000 8.971443e+04
9.800e-04 2663.682 101325.000 8.970074e+04
9.900e-04 2663.733 101325.000 8.968921e+04
1.000e-03 2663.777 101325.000 8.967964e+04
To view a plot of these results, run this script with the option -plot

71
Cantera/python/examples/reactors/reactor1_sim/reactor1.py Normal file
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"""
Constant-pressure, adiabatic kinetics simulation.
"""
import sys
from Cantera import *
from Cantera.Reactor import *
from Cantera.Func import *
from Cantera import rxnpath
gri3 = GRI30()
gri3.set(T = 1001.0, P = OneAtm, X = 'H2:2,O2:1,N2:4')
r = Reactor(gri3)
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)
sim = ReactorNet([r])
time = 0.0
tim = zeros(100,'d')
data = zeros([100,5],'d')
for n in range(100):
time += 1.e-5
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('H2')
print '%10.3e %10.3f %10.3f %14.6e' % (sim.time(), r.temperature(),
r.pressure(), r.intEnergy_mass())
# 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');
show()
except:
pass
else:
print """To view a plot of these results, run this script with the option -plot"""

44
Cantera/python/examples/reactors/reactor1_sim/runtest.in Executable file
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#!/bin/sh
#
#
temp_success="1"
/bin/rm -f output_0.txt diff_csv.txt diff_out_0.txt
##########################################################################
PYTHON_CMD=@PYTHON_CMD@
prog=reactor1.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