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Adding another example directory

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Harry Moffat
2009-03-24 14:51:29 +00:00
parent 4a9173fa9e
commit 870801a077
6 changed files with 420 additions and 0 deletions
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10
Cantera/python/examples/reactors/mix2_sim/.cvsignore Normal file
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Makefile
runtest
air.xml
ct2ctml.log
diff_out_0.txt
gri30.xml
h2o2.xml
output_0.txt
transport_log.xml

15
Cantera/python/examples/reactors/mix2_sim/Makefile.in Normal file
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#!/bin/sh
PYTHON_CMD = @PYTHON_CMD@
run:
$(PYTHON_CMD) mix2.py
test:
./runtest
clean:
rm -f *.log *.csv *.xml
./cleanup
# end of file

5
Cantera/python/examples/reactors/mix2_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*

103
Cantera/python/examples/reactors/mix2_sim/mix2.py Normal file
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# Mixing two streams.
# Since reactors can have multiple inlets and outlets, they can be
# used to implement mixers, splitters, etc. In this example, air and
# methane are mixed in stoichiometric proportions. Due to the low
# temperature, no reactions occur. Note that the air stream and the
# methane stream use *different* reaction mechanisms, with different
# numbers of species and reactions. When gas flows from one reactor or
# reservoir to another one with a different reaction mechanism,
# species are matched by name. If the upstream reactor contains a
# species that is not present in the downstream reaction mechanism, it
# will be ignored. In general, reaction mechanisms for downstream
# reactors should contain all species that might be present in any
# upstream reactor.
#
#-----------------------------------------------------------------------
from Cantera import *
from Cantera.Reactor import *
# Use air for stream a. Note that the Air() function does not set the
# composition correctly; thus, we need to explicitly set the
# composition to that of air.
gas_a = Air()
gas_a.set(T = 300.0, P = OneAtm, X = 'O2:0.21, N2:0.78, AR:0.01')
rho_a = gas_a.density()
# Use GRI-Mech 3.0 for stream b (methane) and for the mixer. If it is
# desired to have a pure mixer, with no chemistry, use instead a
# reaction mechanism for gas_b that has no reactions.
gas_b = GRI30()
gas_b.set(T = 300.0, P = OneAtm, X = 'CH4:1')
rho_b = gas_b.density()
# Create reservoirs for the two inlet streams and for the outlet
# stream. The upsteam reservoirs could be replaced by reactors, which
# might themselves be connected to reactors further upstream. The
# outlet reservoir could be replaced with a reactor with no outlet, if
# it is desired to integrate the composition leaving the mixer in
# time, or by an arbitrary network of downstream reactors.
res_a = Reservoir(gas_a)
res_b = Reservoir(gas_b)
downstream = Reservoir(gas_b)
# Create a reactor for the mixer. A reactor is required instead of a
# reservoir, since the state will change with time if the inlet mass
# flow rates change or if there is chemistry occurring.
mixer = Reactor(gas_b)
# create two mass flow controllers connecting the upstream reservoirs
# to the mixer, and set their mass flow rates to values corresponding
# to stoichiometric combustion.
mfc1 = MassFlowController(upstream = res_a,
downstream = mixer,
mdot = rho_a*2.5/0.21)
mfc2 = MassFlowController(upstream = res_b,
downstream = mixer,
mdot = rho_b*1.0)
# add an igniter to ignite the mixture. The 'igniter' consists of a
# stream of pure H.
gas_c = IdealGasMix('h2o2.cti')
gas_c.set(T = 300.0, P = OneAtm, X = 'H:1')
igniter = Reactor(gas_c)
mfc3 = MassFlowController(upstream = igniter, downstream = mixer,
mdot = 0.05)
# connect the mixer to the downstream reservoir with a valve.
outlet = Valve(upstream = mixer, downstream = downstream, Kv = 1.0)
sim = ReactorNet([mixer])
# Since the mixer is a reactor, we need to integrate in time to reach
# steady state. A few residence times should be enough.
t = 0.0
for n in range(30):
tres = mixer.mass()/(mfc1.massFlowRate() + mfc2.massFlowRate())
t += 0.5*tres
sim.advance(t)
# if ignited, turn the igniter off.
# We also need to restart the integration in this case.
if mixer.temperature() > 1200.0:
mfc3.set(mdot = 0.0)
sim.setInitialTime(t)
print '%14.5g %14.5g %14.5g %14.5g %14.5g' % (t, mixer.temperature(),
mixer.enthalpy_mass(),
mixer.pressure(),
mixer.massFraction('CH4'))
# view the state of the gas in the mixer
print mixer.contents()

243
Cantera/python/examples/reactors/mix2_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: 0.0222248
0.022225 685.72 -2.0615e+06 1.0135e+05 0.50516
0.034455 1016.4 -9.1623e+05 1.0135e+05 0.26352
0.043503 1325 -2.8227e+05 1.0134e+05 0.11449
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.050587 2017.3 -2.0568e+05 1.0134e+05 1.3548e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.056312 1964.8 -2.0471e+05 1.0134e+05 1.5345e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.062205 1964.4 -2.047e+05 1.0134e+05 1.5361e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.0681 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.073995 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.07989 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.085784 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.091679 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.097574 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.10347 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.10936 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.11526 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.12115 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.12705 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.13294 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.13884 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.14473 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.15063 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.15652 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.16242 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.16831 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.1742 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.1801 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.18599 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.19189 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.19778 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.20368 1964.3 -2.047e+05 1.0134e+05 1.5362e-05
gri30:
temperature 1964.35 K
pressure 101340 Pa
density 0.172848 kg/m^3
mean mol. weight 27.8572 amu
1 kg 1 kmol
----------- ------------
enthalpy -204700 -5.702e+06 J
internal energy -790994 -2.203e+07 J
entropy 9522.81 2.653e+05 J/K
Gibbs function -1.89108e+07 -5.268e+08 J
heat capacity c_p 1435.12 3.998e+04 J/K
heat capacity c_v 1136.65 3.166e+04 J/K
X Y Chem. Pot. / RT
------------- ------------ ------------
H2 0.00134471 9.73098e-05 -26.0333
H 0.000358115 1.29575e-05 -10.9771
O 0.000757782 0.000435222 -13.9468
O2 0.0397613 0.0456726 -31.9261
OH 0.00377417 0.0023042 -29.0252
H2O 0.150885 0.0975771 -44.0886
HO2 3.01066e-06 3.56719e-06 -44.7428
H2O2 1.35161e-07 1.65036e-07 -59.0547
C 4.30402e-10 1.85573e-10 0.703842
CH 1.59122e-08 7.43648e-09 -7.21613
CH2 4.97039e-07 2.50273e-07 -18.8895
CH2(S) 4.02506e-08 2.02673e-08 -18.3353
CH3 8.13751e-06 4.3919e-06 -32.2369
CH4 2.66743e-05 1.53616e-05 -44.4439
CO 0.00339379 0.00341245 -40.0961
CO2 0.0737501 0.116513 -58.3008
HCO 1.89322e-07 1.97213e-07 -45.0879
CH2O 3.90105e-06 4.2048e-06 -51.5875
CH2OH 4.24315e-08 4.72706e-08 -55.2732
CH3O 4.45555e-09 4.96368e-09 -53.1726
CH3OH 1.15433e-07 1.32774e-07 -65.7108
C2H 1.62854e-11 1.46326e-11 -21.8248
C2H2 4.35601e-09 4.07152e-09 -36.7187
C2H3 2.18503e-10 2.12138e-10 -39.9841
C2H4 5.74121e-09 5.78171e-09 -51.0745
C2H5 1.39866e-10 1.45913e-10 -55.4237
C2H6 2.5181e-10 2.71808e-10 -66.199
HCCO 1.04715e-09 1.54228e-09 -47.1119
CH2CO 5.08977e-09 7.68059e-09 -59.9554
HCCOH 3.06315e-10 4.62237e-10 -54.8853
N 2.22762e-09 1.12006e-09 -12.0123
NH 1.5055e-09 8.11443e-10 -24.0153
NH2 2.85028e-09 1.63939e-09 -36.2
NH3 3.64675e-09 2.22945e-09 -51.2651
NNH 5.99636e-10 6.24696e-10 -38.1849
NO 7.48125e-05 8.05835e-05 -33.2182
NO2 4.29072e-08 7.08602e-08 -49.5161
N2O 3.32351e-07 5.25096e-07 -42.4127
HNO 2.98278e-09 3.3208e-09 -44.83
CN 1.56296e-10 1.45975e-10 -23.9832
HCN 7.73461e-08 7.50373e-08 -38.15
H2CN 9.28789e-13 9.3467e-13 -46.1177
HCNN 1.31783e-11 1.9411e-11 -34.602
HCNO 3.47993e-08 5.37469e-08 -43.5169
HOCN 1.95416e-09 3.01818e-09 -57.08
HNCO 1.16365e-07 1.79724e-07 -59.556
NCO 7.65327e-09 1.15435e-08 -44.7155
N2 0.716669 0.720689 -27.2037
AR 0.00918855 0.0131766 -25.8924
C3H7 3.39346e-16 5.24889e-16 -79.4339
C3H8 1.80495e-15 2.85714e-15 -89.0801
CH2CHO 1.21788e-11 1.88187e-11 -65.6358
CH3CHO 2.8553e-10 4.51535e-10 -74.7696

44
Cantera/python/examples/reactors/mix2_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=mix2.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