GreenPolyProducts/cantera
5
0
Fork 0
mirror of https://github.com/Cantera/cantera.git synced 2025-02-25 18:55:29 -06:00
Code Issues Packages Projects Releases Wiki Activity

Added dir

Browse Source
This commit is contained in:
Harry Moffat
2009-03-24 14:18:14 +00:00
parent 11c9d9fd48
commit 4a9173fa9e
6 changed files with 264 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
Cantera/python/examples/reactors/mix1_sim/.cvsignore Normal file
View File

@@ -0,0 +1,8 @@
Makefile
runtest
air.xml
ct2ctml.log
diff_out_0.txt
gri30.xml
output_0.txt
transport_log.xml

15
Cantera/python/examples/reactors/mix1_sim/Makefile.in Normal file
View File

@@ -0,0 +1,15 @@
#!/bin/sh
PYTHON_CMD = @PYTHON_CMD@
run:
$(PYTHON_CMD) mix1.py
test:
./runtest
clean:
rm -f *.log *.csv *.xml
./cleanup
# end of file

5
Cantera/python/examples/reactors/mix1_sim/cleanup Executable file
View File

@@ -0,0 +1,5 @@
#!/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*

84
Cantera/python/examples/reactors/mix1_sim/mix1.py Normal file
View File

@@ -0,0 +1,84 @@
# 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)
# 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)
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()

108
Cantera/python/examples/reactors/mix1_sim/output_blessed_0.txt Normal file
View File

@@ -0,0 +1,108 @@
Adding reactor (none)
Initializing reactor network.
Reactor 0: 55 variables.
0 sensitivity params.
Number of equations: 55
Maximum time step: 0.0222248
0.022225 300.01 -3.0173e+06 1.0133e+05 0.6496
0.048571 300 -1.9676e+06 1.0134e+05 0.42374
0.078491 300 -1.2995e+06 1.0134e+05 0.28
0.11124 300 -8.7956e+05 1.0134e+05 0.18965
0.14606 300 -6.1842e+05 1.0134e+05 0.13346
0.1823 300 -4.5736e+05 1.0134e+05 0.09881
0.21948 300 -3.586e+05 1.0134e+05 0.077563
0.25725 300 -2.983e+05 1.0134e+05 0.064588
0.29541 300 -2.6156e+05 1.0134e+05 0.056684
0.33379 300 -2.3922e+05 1.0134e+05 0.051878
0.37232 300 -2.2565e+05 1.0134e+05 0.048958
0.41094 300 -2.1741e+05 1.0134e+05 0.047185
0.44961 300 -2.1241e+05 1.0134e+05 0.046109
0.48831 300 -2.0938e+05 1.0134e+05 0.045456
0.52703 300 -2.0754e+05 1.0134e+05 0.04506
0.56576 300 -2.0642e+05 1.0134e+05 0.04482
0.6045 300 -2.0574e+05 1.0134e+05 0.044674
0.64324 300 -2.0533e+05 1.0134e+05 0.044586
0.68199 300 -2.0508e+05 1.0134e+05 0.044532
0.72074 300 -2.0493e+05 1.0134e+05 0.0445
0.75949 300 -2.0484e+05 1.0134e+05 0.04448
0.79824 300 -2.0479e+05 1.0134e+05 0.044468
0.83699 300 -2.0475e+05 1.0134e+05 0.044461
0.87574 300 -2.0473e+05 1.0134e+05 0.044456
0.91449 300 -2.0472e+05 1.0134e+05 0.044454
0.95324 300 -2.0471e+05 1.0134e+05 0.044452
0.99199 300 -2.0471e+05 1.0134e+05 0.044451
1.0307 300 -2.047e+05 1.0134e+05 0.04445
1.0695 300 -2.047e+05 1.0134e+05 0.04445
1.1082 300 -2.047e+05 1.0134e+05 0.04445
gri30:
temperature 300 K
pressure 101340 Pa
density 1.13628 kg/m^3
mean mol. weight 27.968 amu
1 kg 1 kmol
----------- ------------
enthalpy -204701 -5.725e+06 J
internal energy -293887 -8.219e+06 J
entropy 7158.82 2.002e+05 J/K
Gibbs function -2.35235e+06 -6.579e+07 J
heat capacity c_p 1057.55 2.958e+04 J/K
heat capacity c_v 760.267 2.126e+04 J/K
X Y Chem. Pot. / RT
------------- ------------ ------------
H2 -1.39247e-26 -1.00367e-27
H 6.99708e-36 2.52168e-37 -7.348
O 6.27033e-26 3.58701e-26 22.4934
O2 0.193727 0.221647 -26.3149
OH 4.03747e-28 2.45519e-28 -69.4009
H2O -1.31058e-25 -8.44198e-26
HO2 -7.38828e-26 -8.71936e-26
H2O2 1.47055e-26 1.78848e-26 -142.164
C 9.7717e-51 4.1965e-51 153.154
CH 5.49579e-57 2.55826e-57 87.9186
CH2 5.47598e-40 2.74639e-40 43.5033
CH2(S) 2.8441e-41 1.42641e-41 56.2277
CH3 -2.53586e-25 -1.36321e-25
CH4 0.0774913 0.0444499 -54.8803
CO -5.06019e-25 -5.06786e-25
CO2 -1.19731e-26 -1.88405e-26
HCO -3.21166e-46 -3.33227e-46
CH2O -1.93659e-26 -2.07911e-26
CH2OH 2.49106e-44 2.76416e-44 -135.602
CH3O 6.23777e-41 6.92163e-41 -113.519
CH3OH -3.00319e-25 -3.44067e-25
C2H -2.05809e-60 -1.84188e-60
C2H2 1.92734e-27 1.79433e-27 5.80845
C2H3 -1.03178e-56 -9.97759e-57
C2H4 1.09158e-33 1.09493e-33 -81.2284
C2H5 2.10344e-43 2.18569e-43 -80.4182
C2H6 1.26434e-25 1.35935e-25 -118.515
HCCO 5.01827e-53 7.36185e-53 -78.9701
CH2CO 6.85692e-40 1.03063e-39 -138.394
HCCOH 1.529e-46 2.29816e-46 -102.429
N 1.48958e-62 7.45998e-63 28.7005
NH -1.18909e-61 -6.38363e-62
NH2 7.00357e-65 4.01228e-65 -94.18
NH3 6.52586e-75 3.97379e-75 -212.404
NNH 1.55782e-45 1.6165e-45 -30.1419
NO 1.55384e-47 1.66707e-47 -96.5388
NO2 1.58296e-59 2.60387e-59 -150.571
N2O 4.16806e-32 6.55922e-32 -66.0023
HNO 1.02925e-51 1.14134e-51 -101.373
CN -2.16929e-76 -2.01802e-76
HCN -2.28397e-57 -2.20701e-57
H2CN 5.97323e-58 5.98724e-58 -59.5761
HCNN 2.00387e-57 2.93992e-57 24.6336
HCNO 2.71425e-67 4.17552e-67 -113.895
HOCN 2.80322e-77 4.31237e-77 -210.119
HNCO -2.67855e-58 -4.12059e-58
NCO 3.49931e-51 5.25711e-51 -91.2905
N2 0.719557 0.720727 -23.3621
AR 0.00922509 0.0131766 -23.2957
C3H7 -4.67463e-49 -7.20191e-49
C3H8 4.59173e-43 7.23968e-43 -171.618
CH2CHO -3.82399e-55 -5.88546e-55
CH3CHO -2.03875e-42 -3.21128e-42

44
Cantera/python/examples/reactors/mix1_sim/runtest.in Executable file
View 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=mix1.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