From 64e7a7bea22eceac5652c9defa42a7d8b13f9a40 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Fri, 4 Jan 2008 21:43:40 +0000 Subject: [PATCH] Added flame1 test in its own directory. --- test_problems/python/flame1/.cvsignore | 11 + test_problems/python/flame1/cleanup | 2 + test_problems/python/flame1/flame1.py | 89 +++ .../python/flame1/flame1_blessed.csv | 105 +++ .../python/flame1/output_blessed.txt | 601 ++++++++++++++++++ test_problems/python/flame1/runtest | 87 +++ 6 files changed, 895 insertions(+) create mode 100644 test_problems/python/flame1/.cvsignore create mode 100755 test_problems/python/flame1/cleanup create mode 100755 test_problems/python/flame1/flame1.py create mode 100644 test_problems/python/flame1/flame1_blessed.csv create mode 100644 test_problems/python/flame1/output_blessed.txt create mode 100755 test_problems/python/flame1/runtest diff --git a/test_problems/python/flame1/.cvsignore b/test_problems/python/flame1/.cvsignore new file mode 100644 index 000000000..db21d83ff --- /dev/null +++ b/test_problems/python/flame1/.cvsignore @@ -0,0 +1,11 @@ +csvCode.txt +ct2ctml.log +diff_test.out +gri30.xml +output.txt +diff_csv.txt +diff_out.txt +flame1.csv +flame1.xml +h2o2.xml +transport_log.xml diff --git a/test_problems/python/flame1/cleanup b/test_problems/python/flame1/cleanup new file mode 100755 index 000000000..a964a60bd --- /dev/null +++ b/test_problems/python/flame1/cleanup @@ -0,0 +1,2 @@ +#!/bin/sh +/bin/rm -f csvCode.txt ct2ctml.log diff_test.out output.txt gri30.xml diff --git a/test_problems/python/flame1/flame1.py b/test_problems/python/flame1/flame1.py new file mode 100755 index 000000000..086699dbb --- /dev/null +++ b/test_problems/python/flame1/flame1.py @@ -0,0 +1,89 @@ +# +# 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' + +# Disabled, because timings cause text differences +# f.showStats() + diff --git a/test_problems/python/flame1/flame1_blessed.csv b/test_problems/python/flame1/flame1_blessed.csv new file mode 100644 index 000000000..e3bdd246d --- /dev/null +++ b/test_problems/python/flame1/flame1_blessed.csv @@ -0,0 +1,105 @@ +z (m), u (m/s), V (1/s), T (K), rho (kg/m3), H2, H, O, O2, OH, H2O, HO2, H2O2, AR, +0.0, 1.1276044904999798, 0.0, 373.0, 0.053209534629258787, 0.16784771708440033, 0.0029539722061166845, 2.474738475652815e-05, 0.1018739705817777, 0.00045481583298836634, 0.0033278218756301685, 1.7264746051940081e-05, 9.5107872772645258e-06, 0.72349017950100103, +1.953125e-05, 1.132484245012177, 0.0, 374.64337094220645, 0.052980574927617298, 0.16770833181084391, 0.0029698958719036185, 2.5253037054111573e-05, 0.10183215107069311, 0.00046429927892751026, 0.0034204661474816446, 1.783155107344579e-05, 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/dev/null +++ b/test_problems/python/flame1/output_blessed.txt @@ -0,0 +1,601 @@ + + +>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 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. + + +>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 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 0 505.7 0 0.00944 + 0.001797 1.534 0 511.4 0 0.009392 + 0.001875 1.551 0 517.1 0 0.009343 + 0.001953 1.567 0 522.8 0 0.009293 + 0.002031 1.584 0 528.4 0 0.009244 + 0.002109 1.6 0 534.1 0 0.009193 + 0.002188 1.617 0 539.8 0 0.009142 + 0.002266 1.633 0 545.4 0 0.009091 + 0.002344 1.649 0 551 0 0.009039 + 0.0025 1.682 0 562.3 0 0.008934 + 0.002656 1.714 0 573.5 0 0.008827 + 0.002812 1.746 0 584.7 0 0.008718 + 0.002969 1.778 0 595.8 0 0.008607 + 0.003125 1.81 0 607 0 0.008493 + 0.003438 1.874 0 629.2 0 0.008261 + 0.00375 1.937 0 651.5 0 0.00802 + 0.004063 2.001 0 673.7 0 0.00777 + 0.004375 2.064 0 695.9 0 0.00751 + 0.004688 2.127 0 718.1 0 0.007242 + 0.005 2.189 0 740.2 0 0.006964 + 0.005312 2.252 0 762.3 0 0.006679 + 0.005625 2.314 0 784.3 0 0.006386 + 0.005938 2.377 0 806.2 0 0.006088 + 0.00625 2.438 0 828 0 0.005785 + 0.006563 2.499 0 849.4 0 0.00548 + 0.006875 2.559 0 870.6 0 0.005175 + 0.007187 2.618 0 891.4 0 0.004872 + 0.0075 2.676 0 911.7 0 0.004573 + 0.007812 2.733 0 931.5 0 0.004281 + 0.008125 2.788 0 950.7 0 0.003998 + 0.008438 2.841 0 969.3 0 0.003727 + 0.00875 2.892 0 987.1 0 0.003469 + 0.009063 2.941 0 1004 0 0.003225 + 0.009375 2.988 0 1021 0 0.002997 + 0.009688 3.032 0 1036 0 0.002785 + 0.01 3.075 0 1051 0 0.002591 + 0.01031 3.115 0 1065 0 0.002413 + 0.01062 3.154 0 1079 0 0.002252 + 0.01094 3.19 0 1091 0 0.002107 + 0.01125 3.224 0 1103 0 0.001978 + 0.01188 3.286 0 1125 0 0.001763 + 0.0125 3.342 0 1145 0 0.001598 + 0.01313 3.393 0 1163 0 0.001472 + 0.01375 3.439 0 1179 0 0.001379 + 0.015 3.518 0 1207 0 0.001268 + 0.01625 3.587 0 1231 0 0.001214 + 0.0175 3.647 0 1253 0 0.001191 + 0.01875 3.701 0 1273 0 0.001184 + 0.02 3.751 0 1291 0 0.001184 + 0.0225 3.837 0 1322 0 0.001194 + 0.025 3.913 0 1350 0 0.001203 + 0.0275 3.98 0 1374 0 0.00121 + 0.03 4.04 0 1396 0 0.001214 + 0.0325 4.095 0 1417 0 0.001217 + 0.035 4.145 0 1435 0 0.001218 + 0.0375 4.192 0 1452 0 0.001218 + 0.04 4.234 0 1468 0 0.001217 + 0.045 4.309 0 1496 0 0.001213 + 0.05 4.375 0 1521 0 0.001206 + 0.055 4.434 0 1543 0 0.001198 + 0.06 4.488 0 1563 0 0.00119 + 0.065 4.536 0 1581 0 0.00118 + 0.07 4.58 0 1598 0 0.001171 + 0.08 4.657 0 1627 0 0.001151 + 0.09 4.723 0 1652 0 0.001131 + 0.1 4.782 0 1675 0 0.001111 + 0.1125 4.846 0 1699 0 0.001086 + 0.125 4.902 0 1721 0 0.001062 + 0.1375 4.952 0 1740 0 0.00104 + 0.15 4.997 0 1758 0 0.001018 + 0.175 5.073 0 1787 0 0.0009774 + 0.2 5.137 0 1812 0 0.0009401 + 0.225 5.192 0 1833 0 0.0009055 + 0.25 5.24 0 1852 0 0.0008735 + 0.3 5.317 0 1882 0 0.000818 + 0.35 5.381 0 1907 0 0.0007691 + 0.4 5.434 0 1928 0 0.0007261 + 0.49 5.507 0 1957 0 0.0006707 + 0.5 5.507 0 1957 0 0.0006707 + +------------------------------------------------------------------------------- + z H O O2 OH H2O +------------------------------------------------------------------------------- + 0 9.141e-05 1.216e-05 0.1001 0.0002375 0.001841 + 1.953e-05 9.19e-05 1.24e-05 0.1 0.0002424 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7.711e-08 0.8869 + 0.08 5.521e-07 6.687e-08 0.8869 + 0.09 5.231e-07 5.891e-08 0.8869 + 0.1 4.984e-07 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 diff --git a/test_problems/python/flame1/runtest b/test_problems/python/flame1/runtest new file mode 100755 index 000000000..3b635d12d --- /dev/null +++ b/test_problems/python/flame1/runtest @@ -0,0 +1,87 @@ +#!/bin/sh +# +# +if test "$#" -ge "2" ; then + echo "runtest ERROR: program requires one argument." + echo " runtest PYTHON_CMD" + exit 0 +fi + +BINDIR=../../../bin + + +temp_success="1" +/bin/rm -f output.txt diff_test.out csvCode.txt ct2ctml.log \ + flame1.xml h2o2.xml diff_csv.txt diff_out.txt flame1.csv + +testName=flame1 +################################################################# +# +################################################################# +# +# Try to create a default python executable location if no +# argument to runtest is supplied. +# +if test -z "$PYTHON_CMD" ; then + if test -z "$PYTHONHOME" ; then + PYTHON_CMDA=python + else + PYTHON_CMDA=$PYTHONHOME/bin/python + fi +else + PYTHON_CMDA=$PYTHON_CMD +fi +FIRSTARG=$1 +PYTHON_CMDB=${FIRSTARG:=$PYTHON_CMDA} + +# +# Check to see whether the python executable exists in the +# current user path +# +locThere=`which $PYTHON_CMDB 2>&1` +isThere=$? +if test "$isThere" != "0" ; then + echo 'Can not find the python executable: ' $PYTHON_CMDB + echo ' ' + echo $locThere + exit 1 +fi +#pVersion=`$PYTHON_CMDB -V 2>&1` + +################################################################# +# +################################################################# + +echo "Testing \"$PYTHON_CMDB flame1\" ... " +$PYTHON_CMDB flame1.py > output.txt +retnStat=$? +if [ $retnStat != "0" ] +then + temp_success="0" + echo "ERROR: flame1.py returned with bad status, $retnStat, check output" +fi + +diff -w output.txt output_blessed.txt > diff_out.txt +retnStat_txt=$? + +$BINDIR/csvdiff -a 1.0E-10 flame1_blessed.csv flame1.csv > diff_csv.txt +retnStat_csv=$? + +if test $retnStat_csv = "1" +then + echo " Successful test comparison on "`pwd` + if [ $retnStat_txt != "0" ] + then + echo " But, text output files have differences. See diff_out.txt" + fi +else + echo " Unsuccessful test comparison on "`pwd` " test" + if test $retnStat_csv != "1" + then + echo " csv files are different - see diff_csv.txt" + fi + if test $retnStat_txt != "0" + then + echo " And, text output files have differences. See diff_out.txt" + fi +fi