From 48f905fcc5e9013deb02b22a8302dde38db0b7ea Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Tue, 24 Mar 2009 16:15:10 +0000 Subject: [PATCH] added another example directory. --- .../python/examples/flames/flame1/.cvsignore | 11 + .../python/examples/flames/flame1/Makefile.in | 15 + Cantera/python/examples/flames/flame1/cleanup | 5 + .../python/examples/flames/flame1/flame1.py | 88 +++ .../flames/flame1/flame1_blessed_0.csv | 105 +++ .../flames/flame1/output_blessed_0.txt | 617 ++++++++++++++++++ .../python/examples/flames/flame1/runtest.in | 64 ++ 7 files changed, 905 insertions(+) create mode 100644 Cantera/python/examples/flames/flame1/.cvsignore create mode 100644 Cantera/python/examples/flames/flame1/Makefile.in create mode 100755 Cantera/python/examples/flames/flame1/cleanup create mode 100755 Cantera/python/examples/flames/flame1/flame1.py create mode 100644 Cantera/python/examples/flames/flame1/flame1_blessed_0.csv create mode 100644 Cantera/python/examples/flames/flame1/output_blessed_0.txt create mode 100755 Cantera/python/examples/flames/flame1/runtest.in diff --git a/Cantera/python/examples/flames/flame1/.cvsignore b/Cantera/python/examples/flames/flame1/.cvsignore new file mode 100644 index 000000000..137229d46 --- /dev/null +++ b/Cantera/python/examples/flames/flame1/.cvsignore @@ -0,0 +1,11 @@ +Makefile +runtest +ct2ctml.log +diff_csv.txt +diff_out_0.txt +flame1.csv +flame1.xml +h2o2.xml +output_0.txt +transport_log.xml + diff --git a/Cantera/python/examples/flames/flame1/Makefile.in b/Cantera/python/examples/flames/flame1/Makefile.in new file mode 100644 index 000000000..995a87b24 --- /dev/null +++ b/Cantera/python/examples/flames/flame1/Makefile.in @@ -0,0 +1,15 @@ +#!/bin/sh + +PYTHON_CMD = @PYTHON_CMD@ + +run: + $(PYTHON_CMD) catcomb.py + +test: + ./runtest +clean: + rm -f *.log *.csv *.xml + ./cleanup + +# end of file + diff --git a/Cantera/python/examples/flames/flame1/cleanup b/Cantera/python/examples/flames/flame1/cleanup new file mode 100755 index 000000000..40e1dbd9e --- /dev/null +++ b/Cantera/python/examples/flames/flame1/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 \ + catcomb.csv output_0.txt diff* diff --git a/Cantera/python/examples/flames/flame1/flame1.py b/Cantera/python/examples/flames/flame1/flame1.py new file mode 100755 index 000000000..904c461be --- /dev/null +++ b/Cantera/python/examples/flames/flame1/flame1.py @@ -0,0 +1,88 @@ +# +# FLAME1 - A burner-stabilized flat flame +# +# This script simulates a burner-stablized lean hydrogen-oxygen flame +# at low pressure. +# +from Cantera import * +from Cantera.OneD import * +from Cantera.OneD.BurnerFlame import BurnerFlame + +################################################################ +# +# parameter values +# +p = 0.05*OneAtm # pressure +tburner = 373.0 # burner temperature +mdot = 0.06 # kg/m^2/s + +rxnmech = 'h2o2.cti' # reaction mechanism file +mix = 'ohmech' # gas mixture model +comp = 'H2:1.8, O2:1, AR:7' # premixed gas composition + +# The solution domain is chosen to be 50 cm, and a point very near the +# downstream boundary is added to help with the zero-gradient boundary +# condition at this boundary. +initial_grid = [0.0, 0.02, 0.04, 0.06, 0.08, 0.1, + 0.15, 0.2, 0.4, 0.49, 0.5] # m + +tol_ss = [1.0e-5, 1.0e-13] # [rtol atol] for steady-state + # problem +tol_ts = [1.0e-4, 1.0e-9] # [rtol atol] for time stepping + +loglevel = 1 # amount of diagnostic output (0 + # to 5) + +refine_grid = 1 # 1 to enable refinement, 0 to + # disable + + +################ create the gas object ######################## +# +# This object will be used to evaluate all thermodynamic, kinetic, +# and transport properties +# +gas = IdealGasMix(rxnmech, mix) + +# set its state to that of the unburned gas at the burner +gas.set(T = tburner, P = p, X = comp) + +f = BurnerFlame(gas = gas, grid = initial_grid) + +# set the properties at the burner +f.burner.set(massflux = mdot, mole_fractions = comp, temperature = tburner) + +f.set(tol = tol_ss, tol_time = tol_ts) +f.setMaxJacAge(5, 10) +f.set(energy = 'off') +f.init() +f.showSolution() + +f.solve(loglevel, refine_grid) + +f.setRefineCriteria(ratio = 200.0, slope = 0.05, curve = 0.1) +f.set(energy = 'on') +f.solve(loglevel,refine_grid) + +f.save('flame1.xml') +f.showSolution() + + +# write the velocity, temperature, and mole fractions to a CSV file +z = f.flame.grid() +T = f.T() +u = f.u() +V = f.V() +fcsv = open('flame1.csv','w') +writeCSV(fcsv, ['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)', 'rho (kg/m3)'] + + list(gas.speciesNames())) +for n in range(f.flame.nPoints()): + f.setGasState(n) + writeCSV(fcsv, [z[n], u[n], V[n], T[n], gas.density()] + +list(gas.moleFractions())) +fcsv.close() + +print 'solution saved to flame1.csv' + +f.showStats() + diff --git a/Cantera/python/examples/flames/flame1/flame1_blessed_0.csv 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burner <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< + + Mass Flux: 0.06 kg/m^2/s + Temperature: 373 K + Mass Fractions: + H2 0.01151 + O2 0.1015 + AR 0.887 + + + +>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> flame <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< + + Pressure: 5066 Pa + +------------------------------------------------------------------------------- + z u V T lambda H2 +------------------------------------------------------------------------------- + 0 1.142 0 373 0 0.01151 + 0.02 2.118 0 728.9 0 0.009281 + 0.04 3.094 0 1085 0 0.007052 + 0.06 4.07 0 1441 0 0.004823 + 0.08 5.046 0 1797 0 0.002594 + 0.1 6.022 0 2153 0 0.000365 + 0.15 6.022 0 2153 0 0.000365 + 0.2 6.022 0 2153 0 0.000365 + 0.4 6.022 0 2153 0 0.000365 + 0.49 6.022 0 2153 0 0.000365 + 0.5 6.022 0 2153 0 0.000365 + +------------------------------------------------------------------------------- + z H O O2 OH H2O +------------------------------------------------------------------------------- + 0 0 0 0.1015 0 0 + 0.02 8.766e-06 9.121e-05 0.08352 0.0005736 0.01954 + 0.04 1.753e-05 0.0001824 0.06553 0.001147 0.03907 + 0.06 2.63e-05 0.0002736 0.04755 0.001721 0.05861 + 0.08 3.506e-05 0.0003648 0.02957 0.002294 0.07815 + 0.1 4.383e-05 0.000456 0.01159 0.002868 0.09769 + 0.15 4.383e-05 0.000456 0.01159 0.002868 0.09769 + 0.2 4.383e-05 0.000456 0.01159 0.002868 0.09769 + 0.4 4.383e-05 0.000456 0.01159 0.002868 0.09769 + 0.49 4.383e-05 0.000456 0.01159 0.002868 0.09769 + 0.5 4.383e-05 0.000456 0.01159 0.002868 0.09769 + +------------------------------------------------------------------------------- + z HO2 H2O2 AR +------------------------------------------------------------------------------- + 0 0 0 0.887 + 0.02 7.552e-08 2.788e-09 0.887 + 0.04 1.51e-07 5.576e-09 0.887 + 0.06 2.266e-07 8.364e-09 0.887 + 0.08 3.021e-07 1.115e-08 0.887 + 0.1 3.776e-07 1.394e-08 0.887 + 0.15 3.776e-07 1.394e-08 0.887 + 0.2 3.776e-07 1.394e-08 0.887 + 0.4 3.776e-07 1.394e-08 0.887 + 0.49 3.776e-07 1.394e-08 0.887 + 0.5 3.776e-07 1.394e-08 0.887 + + +>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> outlet <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< + + +------------------------------------------------------------------------------- + z outlet dummy +------------------------------------------------------------------------------- + 0 0 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 1 timesteps 7.5e-06 2.167 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 2 timesteps 8.438e-06 1.881 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 5 timesteps 1.602e-05 1.887 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 10 timesteps 5.773e-05 1.537 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 10 timesteps 0.0004161 0.6354 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [11] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 1 + to resolve H HO2 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [13] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 1 + to resolve H2O2 HO2 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [15] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 + to resolve H2O2 HO2 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [16] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 + to resolve HO2 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [17] point grid(s). + +no new points needed in flame +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 1 timesteps 1.5e-05 5.052 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 2 timesteps 3.375e-05 5.046 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 5 timesteps 0.0001281 5.028 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 10 timesteps 0.0009237 4.839 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 10 timesteps 0.001665 4.741 +.............................................................................. + +Attempt Newton solution of steady-state problem... failure. + +.............................................................................. +Take 10 timesteps 0.003999 3.857 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [17] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 1 2 3 4 5 6 7 8 9 10 11 12 13 + to resolve H H2 H2O H2O2 HO2 O O2 OH T u +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [31] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 22 23 26 27 + to resolve H H2 H2O H2O2 HO2 O O2 OH T u +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [54] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 47 + to resolve H H2 H2O H2O2 HO2 O O2 OH T u +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [74] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 1 2 3 5 6 7 8 9 10 11 12 13 14 16 17 24 25 26 27 28 29 30 31 32 33 + to resolve H H2 H2O H2O2 HO2 O O2 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [100] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 1 2 + to resolve H2O2 HO2 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [103] point grid(s). + +############################################################################## +Refining grid in flame. + New points inserted after grid points 0 + to resolve HO2 +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [104] point grid(s). + +no new points needed in flame +Solution saved to file flame1.xml as solution solution_6. + + +>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> burner <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< + + Mass Flux: 0.06 kg/m^2/s + Temperature: 373 K + Mass Fractions: + H2 0.01151 + O2 0.1015 + AR 0.887 + + + +>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> flame <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< + + Pressure: 5066 Pa + +------------------------------------------------------------------------------- + z u V T lambda H2 +------------------------------------------------------------------------------- + 0 1.128 0 373 0 0.01039 + 1.953e-05 1.132 0 374.6 0 0.01038 + 3.906e-05 1.137 0 376.3 0 0.01037 + 7.813e-05 1.147 0 379.5 0 0.01035 + 0.0001172 1.157 0 382.8 0 0.01033 + 0.0001563 1.166 0 386 0 0.01031 + 0.0001953 1.176 0 389.2 0 0.01029 + 0.0002344 1.185 0 392.4 0 0.01027 + 0.0003125 1.204 0 398.7 0 0.01023 + 0.0003906 1.222 0 405 0 0.01019 + 0.0004687 1.241 0 411.2 0 0.01015 + 0.0005469 1.259 0 417.4 0 0.01011 + 0.000625 1.277 0 423.5 0 0.01007 + 0.0007813 1.313 0 435.6 0 0.009985 + 0.0008594 1.33 0 441.6 0 0.009942 + 0.0009375 1.348 0 447.5 0 0.009899 + 0.001016 1.365 0 453.4 0 0.009855 + 0.001094 1.382 0 459.3 0 0.00981 + 0.001172 1.4 0 465.2 0 0.009766 + 0.00125 1.417 0 471 0 0.009721 + 0.001328 1.434 0 476.9 0 0.009675 + 0.001406 1.451 0 482.7 0 0.009629 + 0.001484 1.467 0 488.4 0 0.009582 + 0.001563 1.484 0 494.2 0 0.009535 + 0.001641 1.501 0 499.9 0 0.009488 + 0.001719 1.518 0 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5.26e-08 0.8869 + 0.1125 4.723e-07 4.644e-08 0.8869 + 0.125 4.502e-07 4.159e-08 0.8869 + 0.1375 4.311e-07 3.768e-08 0.8869 + 0.15 4.144e-07 3.449e-08 0.8869 + 0.175 3.876e-07 2.975e-08 0.8869 + 0.2 3.661e-07 2.626e-08 0.8869 + 0.225 3.484e-07 2.359e-08 0.8869 + 0.25 3.338e-07 2.15e-08 0.8869 + 0.3 3.122e-07 1.858e-08 0.8869 + 0.35 2.965e-07 1.654e-08 0.8869 + 0.4 2.851e-07 1.505e-08 0.8869 + 0.49 2.73e-07 1.34e-08 0.8869 + 0.5 2.73e-07 1.34e-08 0.8869 + + +>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> outlet <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< + + +------------------------------------------------------------------------------- + z outlet dummy +------------------------------------------------------------------------------- + 0 0 +solution saved to flame1.csv + +Statistics: + + Grid Functions Time Jacobians Time + 13 417 0.3500 19 0.3800 + 15 14 0.0100 2 0.0600 + 17 14 0.0100 2 0.0500 + 18 14 0.0300 2 0.0600 + 19 10 0.0100 1 0.0300 + 19 893 1.0900 38 1.0300 + 33 8 0.0200 1 0.0500 + 56 6 0.0200 1 0.0900 + 76 6 0.0300 1 0.1300 + 102 6 0.0500 1 0.1800 + 105 4 0.0300 1 0.1900 + 106 4 0.0200 1 0.2000 diff --git a/Cantera/python/examples/flames/flame1/runtest.in b/Cantera/python/examples/flames/flame1/runtest.in new file mode 100755 index 000000000..81a392d4c --- /dev/null +++ b/Cantera/python/examples/flames/flame1/runtest.in @@ -0,0 +1,64 @@ +#!/bin/sh +# +# +temp_success="1" +/bin/rm -f output_0.txt flame1.csv diff_csv.txt diff_out_0.txt + +########################################################################## +PYTHON_CMD=@PYTHON_CMD@ +prog=flame1.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 flame1_blessed_0.csv flame1.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 +