From 8b9a0b743ee479718f860ff053a4a20e1b43967e Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Thu, 19 Mar 2009 19:39:39 +0000 Subject: [PATCH] First commit of demo dir. --- .../reactors/combustor_sim/.cvsignore | 11 + .../reactors/combustor_sim/Makefile.in | 15 + .../examples/reactors/combustor_sim/cleanup | 5 + .../reactors/combustor_sim/combustor.py | 83 + .../combustor_sim/combustor_blessed_0.csv | 4521 +++++++++++++++++ .../combustor_sim/output_blessed_0.txt | 6 + .../reactors/combustor_sim/runtest.in | 64 + 7 files changed, 4705 insertions(+) create mode 100644 Cantera/python/examples/reactors/combustor_sim/.cvsignore create mode 100644 Cantera/python/examples/reactors/combustor_sim/Makefile.in create mode 100755 Cantera/python/examples/reactors/combustor_sim/cleanup create mode 100644 Cantera/python/examples/reactors/combustor_sim/combustor.py create mode 100644 Cantera/python/examples/reactors/combustor_sim/combustor_blessed_0.csv create mode 100644 Cantera/python/examples/reactors/combustor_sim/output_blessed_0.txt create mode 100755 Cantera/python/examples/reactors/combustor_sim/runtest.in diff --git a/Cantera/python/examples/reactors/combustor_sim/.cvsignore b/Cantera/python/examples/reactors/combustor_sim/.cvsignore new file mode 100644 index 000000000..e8a4ee1bc --- /dev/null +++ b/Cantera/python/examples/reactors/combustor_sim/.cvsignore @@ -0,0 +1,11 @@ +Makefile +air.xml +combustor.csv +ct2ctml.log +diff_csv.txt +diff_out_0.txt +gri30.xml +output_0.txt +ptcombust.xml +runtest +transport_log.xml diff --git a/Cantera/python/examples/reactors/combustor_sim/Makefile.in b/Cantera/python/examples/reactors/combustor_sim/Makefile.in new file mode 100644 index 000000000..d0576b682 --- /dev/null +++ b/Cantera/python/examples/reactors/combustor_sim/Makefile.in @@ -0,0 +1,15 @@ +#!/bin/sh + +PYTHON_CMD = @PYTHON_CMD@ + +run: + $(PYTHON_CMD) combustor.py + +test: + ./runtest +clean: + rm -f *.log *.csv *.xml + ./cleanup + +# end of file + diff --git a/Cantera/python/examples/reactors/combustor_sim/cleanup b/Cantera/python/examples/reactors/combustor_sim/cleanup new file mode 100755 index 000000000..7ee93fd69 --- /dev/null +++ b/Cantera/python/examples/reactors/combustor_sim/cleanup @@ -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 \ + combustor.csv output_0.txt diff* diff --git a/Cantera/python/examples/reactors/combustor_sim/combustor.py b/Cantera/python/examples/reactors/combustor_sim/combustor.py new file mode 100644 index 000000000..752aaac1c --- /dev/null +++ b/Cantera/python/examples/reactors/combustor_sim/combustor.py @@ -0,0 +1,83 @@ +""" A combustor. Two separate stream - one pure methane and the other + air, both at 300 K and 1 atm flow into an adiabatic combustor where + they mix. We are interested in the steady-state burning + solution. Since at 300 K no reaction will occur between methane and + air, we need to use an 'igniter' to initiate the chemistry. A simple + igniter is a pulsed flow of atomic hydrogen. After the igniter is + turned off, the system approaches the steady burning solution.""" + +from Cantera import * +from Cantera.Reactor import * +from Cantera.Func import * + +# use reaction mechanism GRI-Mech 3.0 +gas = GRI30() + +# create a reservoir for the fuel inlet, and set to pure methane. +gas.set(T = 300.0, P = OneAtm, X = 'CH4:1.0') +fuel_in = Reservoir(gas) +fuel_mw = gas.meanMolarMass() + +# use predefined function Air() for the air inlet +air = Air() +air_in = Reservoir(air) +air_mw = air.meanMolarMass() + +# to ignite the fuel/air mixture, we'll introduce a pulse of radicals. +# The steady-state behavior is independent of how we do this, so we'll +# just use a stream of pure atomic hydrogen. +gas.set(T = 300.0, P = OneAtm, X = 'H:1.0') +igniter = Reservoir(gas) + + +# create the combustor, and fill it in initially with N2 +gas.set(T = 300.0, P = OneAtm, X = 'N2:1.0') +combustor = Reactor(contents = gas, volume = 1.0) + +# create a reservoir for the exhaust +exhaust = Reservoir(gas) + +# lean combustion, phi = 0.5 +equiv_ratio = 0.5 + +# compute fuel and air mass flow rates +factor = 0.1 +air_mdot = factor*9.52*air_mw +fuel_mdot = factor*equiv_ratio*fuel_mw + +# create and install the mass flow controllers. Controllers +# m1 and m2 provide constant mass flow rates, and m3 provides +# a short Gaussian pulse only to ignite the mixture +m1 = MassFlowController(upstream = fuel_in, + downstream = combustor, mdot = fuel_mdot) + +# note that this connects two reactors with different reaction +# mechanisms and different numbers of species. Downstream and upstream +# species are matched by name. +m2 = MassFlowController(upstream = air_in, + downstream = combustor, mdot = air_mdot) + +# The igniter will use a Guassiam 'functor' object to specify the +# time-dependent igniter mass flow rate. +igniter_mdot = Gaussian(t0 = 1.0, FWHM = 0.2, A = 0.1) +m3 = MassFlowController(upstream = igniter, + downstream = combustor, mdot = igniter_mdot) + +# put a valve on the exhaust line to regulate the pressure +v = Valve(upstream = combustor, downstream = exhaust, Kv = 1.0) + +# the simulation only contains one reactor +sim = ReactorNet([combustor]) + +# take single steps to 6 s, writing the results to a CSV file +# for later plotting. +tfinal = 6.0 +tnow = 0.0 +f = open('combustor.csv','w') +while tnow < tfinal: + tnow = sim.step(tfinal) + tres = combustor.mass()/v.massFlowRate() + writeCSV(f, [tnow, combustor.temperature(), tres] + +list(combustor.moleFractions())) +f.close() + diff --git 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6.8798508097649894e-10, 2.7651422982168659e-05, 2.3957071849116169e-08, 5.4503334374850746e-07, 1.168618525787735e-09, 1.9367222004061281e-11, 1.1792355935765248e-08, 2.6723986858347669e-13, 5.0879197073412641e-12, 5.8487179861339427e-09, 2.5581639809133527e-10, 1.5755235548021463e-08, 1.3026063198455355e-09, 0.72834141024026866, 0.009337895035536465, 1.4695139809495852e-16, 8.2641855294839622e-16, 8.5991082461725225e-12, 2.33831820123566e-10, +0.9155309097133445, 1892.7543373271337, 0.006181837300608191, 0.00097681782652108838, 0.00042734648570130719, 0.0014679217068303547, 0.084327287063726261, 0.0043516021678973353, 0.12170417728801571, 5.8125000999911644e-06, 1.930997618198837e-07, 9.0882638854740291e-11, 5.6928731585964979e-09, 2.5857211226889839e-07, 2.8339299572078051e-08, 5.7606281747082638e-06, 2.5364450413416908e-05, 0.0020519723134167565, 0.046955451577621807, 1.9530341444927187e-07, 3.6043675793745444e-06, 2.5411581593414655e-08, 4.2026915058600442e-09, 8.3356880865327798e-08, 2.1888856990638843e-12, 5.8120434291057604e-10, 6.4325625305375114e-11, 1.7330481909789527e-09, 7.3034624490484033e-11, 1.3666464710440785e-10, 1.9202503639432774e-10, 1.9029647258175105e-09, 3.5272911293286184e-11, 8.8707660396956506e-10, 6.9085352779486703e-10, 2.9210240373115081e-10, 2.3476308361120559e-10, 6.8890049608240626e-10, 2.7763132199325192e-05, 2.4033622601146364e-08, 5.4481535812056315e-07, 1.1717866528020345e-09, 1.9433666750462772e-11, 1.1813053675104502e-08, 2.6813184912571114e-13, 5.0889801112351335e-12, 5.8663206245407281e-09, 2.563872256816258e-10, 1.579356844566616e-08, 1.3061532819008819e-09, 0.72832996259966509, 0.0093377489852831588, 1.4641430928252754e-16, 8.2159231168259789e-16, 8.5844135832710777e-12, 2.3330432105055104e-10, +0.91559057894526918, 1893.1156316933022, 0.0061808091846182484, 0.00097783274177092538, 0.00042780858616223063, 0.0014691329160704582, 0.084313212558485395, 0.0043556469187036543, 0.12172375755955636, 5.8086523305669188e-06, 1.9298496525128567e-07, 9.1120818525645153e-11, 5.7011529676114123e-09, 2.5860959128815596e-07, 2.8349616972406558e-08, 5.7579809487434786e-06, 2.5337202719848078e-05, 0.0020534203927315745, 0.046953269962976447, 1.9530276178374671e-07, 3.6016539848787591e-06, 2.5421595048363491e-08, 4.2004656262371399e-09, 8.3197837089567321e-08, 2.189961574614343e-12, 5.805464751575825e-10, 6.4265007583331369e-11, 1.7297402533529286e-09, 7.2885922852499026e-11, 1.3617684512376715e-10, 1.919640137944753e-10, 1.8999813591577355e-09, 3.5248675739751278e-11, 8.9027771247168565e-10, 6.9210473186482151e-10, 2.929716759472589e-10, 2.3541308100399128e-10, 6.8981582016053507e-10, 2.7874906346208742e-05, 2.4110127815444256e-08, 5.4459776889457966e-07, 1.174953706813511e-09, 1.9500184256482939e-11, 1.1833731092471057e-08, 2.6902431984047024e-13, 5.0900385250764116e-12, 5.8838997999170316e-09, 2.5695772145656739e-10, 1.5831835660257338e-08, 1.309698042991829e-09, 0.72831852822383114, 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6.929179134621928e-10, 2.8254288809428213e-05, 2.436913664263385e-08, 5.4386311788056606e-07, 1.1856817265145378e-09, 1.97262084978109e-11, 1.1903674543532998e-08, 2.720533158980128e-13, 5.0936115949274686e-12, 5.9433177155065331e-09, 2.5888916438327215e-10, 1.5961072261103805e-08, 1.321698050334697e-09, 0.72827986594538363, 0.0093371098614447139, 1.440933017721907e-16, 8.0083228808016324e-16, 8.5205325129724995e-12, 2.3101464753384092e-10, +0.91583430279876377, 1894.5857251512273, 0.0061766140890998121, 0.00098197493199638874, 0.00042969510550524285, 0.0014740717994979943, 0.084255924564338738, 0.004372135219645472, 0.12180343290423165, 5.793069383035334e-06, 1.9252016259050739e-07, 9.2096302923870422e-11, 5.7349453086061654e-09, 2.5876126262206279e-07, 2.8391562825195845e-08, 5.7472189705295318e-06, 2.522667901000396e-05, 0.002059337580213452, 0.04694436482477711, 1.9530011582398055e-07, 3.59063664951595e-06, 2.5462342198509013e-08, 4.1914474857333956e-09, 8.2553934002455772e-08, 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6.914582109003327e-07, 1.0059722823473766e-10, 2.4386072345898938e-13, 2.5542036102304454e-09, 1.9501874392317157e-14, 2.2129666284228848e-12, 9.5761160957284941e-10, 2.7612692381878207e-11, 4.3642105389769816e-09, 1.392089879683877e-10, 0.73982039327234139, 0.0094848906531725639, 2.7734282550259439e-13, 1.7268626544602093e-11, 4.2043259697720144e-10, 2.2948647160870571e-08, diff --git a/Cantera/python/examples/reactors/combustor_sim/output_blessed_0.txt b/Cantera/python/examples/reactors/combustor_sim/output_blessed_0.txt new file mode 100644 index 000000000..73f523d23 --- /dev/null +++ b/Cantera/python/examples/reactors/combustor_sim/output_blessed_0.txt @@ -0,0 +1,6 @@ + Adding reactor (none) +Initializing reactor network. +Reactor 0: 55 variables. + 0 sensitivity params. +Number of equations: 55 +Maximum time step: 6 diff --git a/Cantera/python/examples/reactors/combustor_sim/runtest.in b/Cantera/python/examples/reactors/combustor_sim/runtest.in new file mode 100755 index 000000000..914344a1d --- /dev/null +++ b/Cantera/python/examples/reactors/combustor_sim/runtest.in @@ -0,0 +1,64 @@ +#!/bin/sh +# +# +temp_success="1" +/bin/rm -f output_0.txt combustor.csv diff_csv.txt diff_out_0.txt + +########################################################################## +PYTHON_CMD=@PYTHON_CMD@ +prog=combustor.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 $prog > output_0.txt <<+ +1.0 ++ +retnStat=$? +if [ $retnStat != "0" ] +then + temp_success="0" + echo "$prog returned with bad status, $retnStat, check output" +fi + +diff -w output_blessed_0.txt output_0.txt > diff_out_0.txt +retnStat_0=$? + +csvdiff -a 1.0E-50 combustor_blessed_0.csv combustor.csv > diff_csv.txt +retnStat_csv_0=$? + +retnTotal=1 +if test $retnStat_0 = "0" +then + retnTotal=0 +fi + +retnCSVTotal=1 +if test $retnStat_csv_0 = "1" +then + retnCSVTotal=0 +fi + +if test $retnCSVTotal = "0" +then + echo "Successful test comparison on "`pwd` + if test $retnTotal = "1" + then + echo " But text files show differences. See diff_out_0.txt" + fi +else + echo "Unsuccessful test comparison of csv files on "`pwd` " test" + echo " see diff_csv.txt " + if test $retnTotal != "0" + then + echo " ASCII files are different too - see diff_test*.txt" + fi +fi +