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Harry Moffat 2009-03-19 19:10:54 +00:00
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10
Cantera/python/examples/surface_chemistry/catcomb_stagflow/.cvsignore Normal file
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Makefile
runtest
catcomb.csv
catcomb.xml
ct2ctml.log
diff_csv.txt
diff_out_0.txt
output_0.txt
ptcombust.xml
transport_log.xml

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

181
Cantera/python/examples/surface_chemistry/catcomb_stagflow/catcomb.py Normal file
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# CATCOMB -- Catalytic combustion of methane on platinum.
#
# This script solves a catalytic combustion problem. A stagnation flow
# is set up, with a gas inlet 10 cm from a platinum surface at 900
# K. The lean, premixed methane/air mixture enters at ~ 6 cm/s (0.06
# kg/m2/s), and burns catalytically on the platinum surface. Gas-phase
# chemistry is included too, and has some effect very near the
# surface.
#
# The catalytic combustion mechanism is from Deutschman et al., 26th
# Symp. (Intl.) on Combustion,1996 pp. 1747-1754
#
#
from Cantera import *
from Cantera.OneD import *
#from Cantera.OneD.StagnationFlow import StagnationFlow
import math
###############################################################
#
# Parameter values are collected here to make it easier to modify
# them
p = OneAtm # pressure
tinlet = 300.0 # inlet temperature
tsurf = 900.0 # surface temperature
mdot = 0.06 # kg/m^2/s
transport = 'Mix' # transport model
# We will solve first for a hydrogen/air case to
# use as the initial estimate for the methane/air case
# composition of the inlet premixed gas for the hydrogen/air case
comp1 = 'H2:0.05, O2:0.21, N2:0.78, AR:0.01'
# composition of the inlet premixed gas for the methane/air case
comp2 = 'CH4:0.095, O2:0.21, N2:0.78, AR:0.01'
# the initial grid, in meters. The inlet/surface separation is 10 cm.
initial_grid = [0.0, 0.02, 0.04, 0.06, 0.08, 0.1] # m
# numerical parameters
tol_ss = [1.0e-5, 1.0e-9] # [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
#
# The gas phase will be taken from the definition of phase 'gas' in
# input file 'ptcombust.cti,' which is a stripped-down version of
# GRI-Mech 3.0.
gas = importPhase('ptcombust.cti','gas')
gas.set(T = tinlet, P = p, X = comp1)
################ create the interface object ##################
#
# This object will be used to evaluate all surface chemical production
# rates. It will be created from the interface definition 'Pt_surf'
# in input file 'ptcombust.cti,' which implements the reaction
# mechanism of Deutschmann et al., 1995 for catalytic combustion on
# platinum.
#
surf_phase = importInterface('ptcombust.cti','Pt_surf', [gas])
surf_phase.setTemperature(tsurf)
# integrate the coverage equations in time for 1 s, holding the gas
# composition fixed to generate a good starting estimate for the
# coverages.
surf_phase.advanceCoverages(1.0)
# create the object that simulates the stagnation flow, and specify an
# initial grid
sim = StagnationFlow(gas = gas, surfchem = surf_phase,
grid = initial_grid)
# Objects of class StagnationFlow have members that represent the gas inlet ('inlet') and the surface ('surface'). Set some parameters of these objects.
sim.inlet.set(mdot = mdot, T = tinlet, X = comp1)
sim.surface.set(T = tsurf)
# Set error tolerances
sim.set(tol = tol_ss, tol_time = tol_ts)
# Method 'init' must be called before beginning a simulation
sim.init()
# Show the initial solution estimate
sim.showSolution()
# Solving problems with stiff chemistry coulpled to flow can require
# a sequential approach where solutions are first obtained for
# simpler problems and used as the initial guess for more difficult
# problems.
# start with the energy equation on (default is 'off')
sim.set(energy = 'on')
# disable the surface coverage equations, and turn off all gas and
# surface chemistry.
sim.surface.setCoverageEqs('off')
surf_phase.setMultiplier(0.0);
gas.setMultiplier(0.0);
# solve the problem, refining the grid if needed, to determine the
# non-reacting velocity and temperature distributions
sim.solve(loglevel, refine_grid)
# now turn on the surface coverage equations, and turn the
# chemistry on slowly
sim.surface.setCoverageEqs('on')
for iter in range(6):
mult = math.pow(10.0,(iter - 5));
surf_phase.setMultiplier(mult);
gas.setMultiplier(mult);
print 'Multiplier = ',mult
sim.solve(loglevel, refine_grid);
# At this point, we should have the solution for the hydrogen/air
# problem.
sim.showSolution()
# Now switch the inlet to the methane/air composition.
sim.inlet.set(X = comp2)
# set more stringent grid refinement criteria
sim.setRefineCriteria(100.0, 0.15, 0.2, 0.0)
# solve the problem for the final time
sim.solve(loglevel, refine_grid)
# show the solution
sim.showSolution()
# save the solution in XML format. The 'restore' method can be used to restart
# a simulation from a solution stored in this form.
sim.save("catcomb.xml", "soln1")
# save selected solution components in a CSV file for plotting in
# Excel or MATLAB.
# These methods return arrays containing the values at all grid points
z = sim.flow.grid()
T = sim.T()
u = sim.u()
V = sim.V()
f = open('catcomb.csv','w')
writeCSV(f, ['z (m)', 'u (m/s)', 'V (1/s)', 'T (K)', 'rho (kg/m3']
+ list(gas.speciesNames()))
for n in range(sim.flow.nPoints()):
sim.setGasState(n)
writeCSV(f, [z[n], u[n], V[n], T[n], gas.density()]
+list(gas.moleFractions()))
# write the surface coverages to the CSV file
cov = sim.coverages()
names = surf_phase.speciesNames()
for n in range(len(names)):
writeCSV(f, [names[n], cov[n]])
f.close()
print 'solution saved to catcomb.csv'
# show some statistics
sim.showStats()

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Cantera/python/examples/surface_chemistry/catcomb_stagflow/catcomb_blessed_0.csv Normal file
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z (m), u (m/s), V (1/s), T (K), rho (kg/m3, H2, H, O, O2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2(S), CH3, CH4, CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3, C2H4, C2H5, C2H6, HCCO, CH2CO, HCCOH, AR, N2,
0.0, 0.053038725761858821, -5.4372369704654403e-23, 300.0, 1.1312488966910135, -1.9945217445133332e-15, 1.2094553919729598e-17, 5.6719881818570684e-19, 0.19178082191779233, -2.9194243827112552e-17, 5.3626151759432039e-14, -8.1549581186632036e-19, -3.6781075398696255e-18, 2.9250852163085021e-17, -6.6063015748939551e-33, -9.2816281576462901e-18, -1.0195279602131537e-32, 1.7158331815891619e-19, 0.08675799086754736, 6.5063225456234515e-19, 5.4040551612532168e-16, -6.8364150068620077e-26, -1.1133038812038128e-18, 1.0533680513334912e-40, -6.6462680299310024e-31, -2.0843201678185128e-19, 1.3650775231004094e-17, 1.2654449253893216e-19, -3.742082057884018e-17, -1.4422295759443158e-20, -2.3155640283240098e-32, 1.2928894828431904e-17, 1.6172556575766494e-38, -2.9917821232840703e-27, -1.3009194509932187e-27, 0.0091324200913241588, 0.71232876712328397,
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0.02, 0.050445149076688928, 0.12967883524922874, 300.00000011176024, 1.131248896264146, 8.7729944304265724e-15, -4.0657797244967075e-30, 3.3459054610088908e-18, 0.19178082190626122, 1.9626395517699648e-21, 3.1458162746279517e-11, -1.9397522059664989e-17, -2.1665583200083189e-18, 2.9376349905091272e-32, 8.5478427059730935e-47, -3.8817077457999442e-30, -6.4323176231924908e-38, 1.5692440846846533e-17, 0.086757990849460051, 1.8823722001639836e-17, 6.3516424957098914e-13, -1.0296734959460534e-30, 8.9002098265474408e-19, 6.8514776893092999e-39, -6.2653875730968369e-30, 1.2384256856398735e-19, 5.0372445181518528e-33, -1.787839812095722e-19, -1.8878628449044755e-30, 1.7195998284003515e-18, 6.3569288444746683e-30, 7.2957703570702838e-17, 1.2126206617739629e-37, -2.390300365706132e-27, -1.1865435675111432e-27, 0.0091324200912961846, 0.71232876712088045,
0.029999999999999999, 0.047203178604995115, 0.19451825358404901, 300.00000262124087, 1.1312488866740629, 7.98770480977009e-14, 3.1587424889108717e-32, 1.0949124713478408e-18, 0.19178082162221388, 6.4331949904292383e-22, 7.3144273334975316e-10, 3.3098523663362364e-17, 3.7398217759019127e-17, 8.5909566052960512e-40, 1.8576371005960713e-52, 1.6686248442119857e-36, 1.8622906984563877e-37, 4.7552044177417977e-17, 0.086757990458331491, 5.8618245782079178e-17, 2.0883123020268804e-11, 1.3179683510455194e-34, 1.3217938627461546e-15, 5.7379375699139727e-38, 3.8360115901058677e-28, 1.1064382392953684e-17, 8.909936710829333e-41, -1.6966168406076949e-19, -3.9011960086182633e-37, 5.6113598832165145e-17, 1.2416606212504698e-29, 2.0745207886443385e-15, 4.2871713119957252e-38, 2.0132338843219045e-26, 3.0963679937817014e-27, 0.0091324200907681504, 0.71232876707627724,
0.040000000000000001, 0.042664427602400745, 0.25935768882758231, 300.00005768441486, 1.1312486761670602, 5.8080303258091911e-13, 1.5528934025662109e-31, 3.3575326555648282e-19, 0.19178081480167891, 1.9736284005068629e-22, 1.5982362472890848e-08, 1.2729869811630269e-15, 9.810947439062884e-16, 2.2856069084502385e-47, -9.2952184400246777e-45, 1.0387302257924106e-35, 5.0930227684221943e-37, 7.7291107921780011e-16, 0.086757982181288065, 1.0018929850666647e-15, 6.4442570966169661e-10, 1.2883737151809536e-33, 4.2490046038866478e-14, 5.5766309415255305e-37, 1.8262977572907104e-25, 3.5844185350790699e-16, 1.4317204850579613e-48, 9.6800962003011256e-20, 1.1843010492933875e-38, 1.7035884746675663e-15, 1.8536121651913104e-29, 6.7650523556038222e-14, 4.169674411383501e-38, 8.3057391087494665e-25, 1.5721017091146224e-25, 0.0091324200815400131, 0.71232876630800779,
0.050000000000000003, 0.036829024402047668, 0.32419749324618896, 300.00115500411243, 1.1312444803229558, 3.8186406907860246e-12, 7.6572416959268331e-31, 9.3443555703147981e-20, 0.19178066590721968, 9.3270259242819038e-23, 3.1777733198388847e-07, 2.791563374755239e-14, 2.1388602101457951e-14, 5.3051344976013405e-55, 1.4496222357824677e-42, 5.5250341429574454e-35, 2.8473444387300423e-36, 1.5368804039544479e-14, 0.086757823065475831, 2.1301660737143953e-14, 1.8060160846408491e-08, 3.3010109819962101e-32, 1.2061513292241927e-12, 6.6015259148788086e-36, 7.9522452259811027e-23, 1.0360981453377242e-14, 1.8488799825688316e-50, 7.1573817805032014e-18, 5.0702999650113529e-36, 4.6962329734706412e-14, 1.2581610854409662e-29, 2.018482616620206e-12, 2.2214537052662611e-37, 2.7266789760477875e-23, 5.1843286007435495e-24, 0.009132419946967129, 0.71232875523565808,
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0.099687500000000012, 9.6472412127797266e-06, 0.030854698610603682, 890.15895655327267, 0.38509611757460899, 1.0866597395052582e-09, 5.3195006292313098e-11, 1.952521966090818e-11, 0.058533512725691642, 2.6680229425955381e-10, 0.11661545818696503, 3.0704874550894197e-08, 1.2011154818076263e-08, 9.0672359814616117e-33, 1.6172960693257109e-23, 9.7237932368460398e-15, 2.9328861822086971e-16, 6.9405772471280248e-07, 0.024538249585849277, 3.7270970819330242e-09, 0.077059179531517724, 1.5200587142549422e-13, 4.6808376328884819e-06, 3.9130271524007855e-16, 2.7965568838470047e-11, 4.7047689501898403e-08, 4.4536012820681424e-23, 2.1009198286388927e-11, 1.1708438385007253e-15, 1.6873274180009104e-07, 9.1606500864390405e-12, 1.2701353833569452e-05, 1.2926249051596556e-20, 3.2063146322362608e-16, 6.1370791998423049e-17, 0.0091559210481512582, 0.71407933896459452,
0.099843750000000009, 2.4266328427339461e-06, 0.015522954912874002, 895.09121007866656, 0.38304158129831217, 6.2424420715333624e-10, 6.1126577150693859e-11, 2.2357118649320355e-11, 0.057303109058425748, 3.9486700019645791e-10, 0.1175686352208294, 3.1101250350295037e-08, 1.2005468957957405e-08, -2.0229363929698213e-28, 3.3753364136424015e-23, 1.7133420271843221e-14, 5.0721952059692106e-16, 8.2023245923828266e-07, 0.02398169670485132, 2.0831959617614987e-09, 0.07785451843868145, 1.9531254456145321e-13, 4.6901792799672374e-06, 5.2491593580878231e-16, 3.1821324092702385e-11, 4.7268204210635768e-08, 7.0834352323027425e-23, 2.1110404754098222e-11, 1.5616724474980765e-15, 1.6963410107107077e-07, 1.5056639704082811e-11, 1.2745223501504655e-05, 1.5375391195090241e-20, 3.2310475779682607e-16, 6.1893368370931175e-17, 0.0091564315475421813, 0.71411709013140989,
0.099921875000000007, 6.0814108857891284e-07, 0.0077853176658704178, 897.54854104294168, 0.38202691819516243, 3.5774543703440415e-10, 5.4602522216329837e-11, 1.9525226132602907e-11, 0.056688736470708247, 1.2942034759907198e-09, 0.11804351289591164, 3.131300252015454e-08, 1.2003881649586354e-08, -3.0655837805511324e-25, 1.2268254820017184e-22, 6.0200326249383282e-14, 1.7515315344796441e-15, 8.9536261889098746e-07, 0.023703621049739006, 1.1415109353593337e-09, 0.07825286866948987, 3.0415753336906101e-13, 4.6926037053721329e-06, 1.0132630624101739e-15, 3.4087714513720307e-11, 4.7363049950763604e-08, 2.4175845669827607e-22, 2.1151717770277435e-11, 2.7165324169972222e-15, 1.6999239860125712e-07, 3.5928862963356566e-11, 1.2757510277798065e-05, 1.3601447229968538e-20, 3.242523746161184e-16, 6.2138327454377983e-17, 0.0091567111203815724, 0.71413594068570863,
0.099941406250000003, 3.4237587484619527e-07, 0.005843454106718121, 898.16196026487705, 0.38177436795705483, 2.8778127283882222e-10, 4.8498050296902547e-11, 1.7228986024250332e-11, 0.056535109711297084, 2.786766366278074e-09, 0.11816260476594707, 3.1365708173251977e-08, 1.2003662704430869e-08, -4.7948261987835254e-27, 2.9888840391375573e-22, 1.3176485957717989e-13, 3.8130913755890507e-15, 9.1404849560853484e-07, 0.023634119270143913, 8.8612914041163176e-10, 0.078352071538437734, 4.6002457462206904e-13, 4.6929395218938037e-06, 1.7938784605762595e-15, 3.4613962993307744e-11, 4.7383498667595438e-08, 5.2597238486531522e-22, 2.1160328002770502e-11, 4.4231126753907202e-15, 1.7005853482764492e-07, 5.0792536284733115e-11, 1.2759317904149282e-05, 1.2003349938546753e-20, 3.2450859233158217e-16, 6.2193419921349982e-17, 0.0091567720415146533, 0.71414069142176073,
0.099960937500000013, 1.5229338470229242e-07, 0.0038986119188624871, 898.77501317443614, 0.38152231450762769, 2.1666428914441603e-10, 3.9691693581779475e-11, 1.4005632607058466e-11, 0.056381589792426072, 5.5970732295779089e-09, 0.11828160680221078, 3.1414893919564117e-08, 1.2003521367186891e-08, 3.9368672634142854e-28, 7.4676872267714436e-22, 2.6884431226585327e-13, 7.7699116539070385e-15, 9.3159603370488971e-07, 0.023564664407088088, 6.1858762443978862e-10, 0.078451210929091922, 7.5030478966992899e-13, 4.6931743095164335e-06, 3.2881359868386322e-15, 3.5075332491189086e-11, 4.7401756190289675e-08, 1.0661150137487297e-21, 2.116784552639312e-11, 7.57013604721762e-15, 1.7011168445539998e-07, 6.9715758650717888e-11, 1.2760629930162084e-05, 9.7622499112236687e-21, 3.2473991729565425e-16, 6.224338345336537e-17, 0.009156832971894565, 0.71414544215213949,
0.099970703125000004, 8.5696977728796517e-08, 0.0029250745300980095, 899.0814009925964, 0.38139647299765861, 1.807377142045538e-10, 3.3770204119788359e-11, 1.1882758520671872e-11, 0.056304851654026801, 8.0698827964954238e-09, 0.11834109304953629, 3.1435812183948118e-08, 1.2003482396066538e-08, 1.2025189913656935e-26, 1.2785381361902293e-21, 3.8903548715513131e-13, 1.1275017699322586e-14, 9.3916864749186031e-07, 0.023529947665153289, 4.7718086121456202e-10, 0.078500762323826856, 1.0041790871320193e-12, 4.6932555567264533e-06, 4.6124893574590264e-15, 3.5253657296433949e-11, 4.7409398506755936e-08, 1.543953750779559e-21, 2.1170907197681438e-11, 1.0195632007988707e-14, 1.7013160318916344e-07, 7.9939463880174873e-11, 1.2761095333696512e-05, 8.3607786655055156e-21, 3.248372163492866e-16, 6.2264496973756823e-17, 0.0091568633131620131, 0.71414781858322263,
0.099980468750000009, 3.8101819448071765e-08, 0.001950793242147069, 899.38769564872962, 0.3812707562160999, 1.4459981808620864e-10, 2.6597873580435557e-11, 9.3402211982854229e-12, 0.056228134088358007, 1.1590397017334762e-08, 0.11840056077287074, 3.145296842300746e-08, 1.2003465624353912e-08, 2.0821636834783646e-25, 2.2444800104260075e-21, 5.5542171110235703e-13, 1.627409072080469e-14, 9.4548179881830988e-07, 0.023495240857299066, 3.2891976189074598e-10, 0.078550301835944039, 1.3633819764506419e-12, 4.693314217476516e-06, 6.4970378637185538e-15, 3.5385850058508238e-11, 4.7415659831805022e-08, 2.2265325905238572e-21, 2.1173344752261043e-11, 1.3632678898861691e-14, 1.7014644899711967e-07, 8.9789335172349574e-11, 1.2761433979234871e-05, 6.8304089540730577e-21, 3.2491704759617684e-16, 6.2281887564244712e-17, 0.0091568936604327043, 0.71415019528839829,
0.099985351562500019, 2.1436213617299655e-08, 0.0014633737215068718, 899.5408076174848, 0.38120794316314688, 1.2646400159645458e-10, 2.2429473976967554e-11, 7.8737495386528e-12, 0.056189779402532801, 1.3923102971576181e-08, 0.11843029461640116, 3.1459468020031278e-08, 1.2003466008548354e-08, 1.5025128466505338e-24, 2.9909066986999197e-21, 6.5634370232068209e-13, 1.9570504441974777e-14, 9.479212287335355e-07, 0.023477890235885493, 2.5127322845592932e-10, 0.078575064455235807, 1.5955446151372321e-12, 4.6933356922938966e-06, 7.7168187567038102e-15, 3.5430867182385057e-11, 4.7418062145078574e-08, 2.6771878694936351e-21, 2.1174250813326689e-11, 1.5558933981629283e-14, 1.7015173467642089e-07, 9.3984573916278257e-11, 1.2761555261202621e-05, 6.0928342199263218e-21, 3.2494763470333191e-16, 6.2288570913271686e-17, 0.0091569087298917565, 0.7141513842311118,
0.099990234375000014, 9.5289061062399647e-09, 0.0009757683198573431, 899.69389582988549, 0.38114516169619322, 1.0828985024039987e-10, 1.7828887312734693e-11, 6.2624913707591871e-12, 0.056151429861980122, 1.6716500642228804e-08, 0.11846002295606224, 3.1464305852801881e-08, 1.2003472416651128e-08, 8.545089830163474e-24, 3.9438315781229277e-21, 7.625659233567913e-13, 2.3488432716816313e-14, 9.4977405135352539e-07, 0.023460542303672935, 1.7088431514074698e-10, 0.078599824854974173, 1.8585402430327837e-12, 4.6933524294392585e-06, 9.0978098589879422e-15, 3.546120751594882e-11, 4.7419888154828379e-08, 3.2054121641693832e-21, 2.1174919604800988e-11, 1.746013116755648e-14, 1.7015553539917699e-07, 9.7393039379173301e-11, 1.2761645375890282e-05, 5.4341996408034736e-21, 3.2497080575215879e-16, 6.2293643988147771e-17, 0.0091569238172698932, 0.7141525732145152,
0.09999511718750001, 2.3826914954303816e-09, 0.00048797706852267506, 899.84696006095464, 0.38108241194952069, 9.0083308846650076e-11, 1.2748319100516996e-11, 4.4908248943179704e-12, 0.056113085985832777, 2.0065322621161221e-08, 0.11848974507180209, 3.1467181711164212e-08, 1.200348503022808e-08, 4.8242983697273436e-23, 5.0284066766296235e-21, 8.5596323179742581e-13, 2.8105404160724414e-14, 9.5091045971294679e-07, 0.023443197403644176, 8.729942126035398e-11, 0.078624582945776914, 2.1209935673366235e-12, 4.6933648793458783e-06, 1.0472288256032451e-14, 3.5477007659922671e-11, 4.7421028105282358e-08, 3.7746371685339334e-21, 2.1175322417524105e-11, 1.9001371741553542e-14, 1.7015779961947055e-07, 9.9628006526230342e-11, 1.2761704706183655e-05, 4.9533326846989704e-21, 3.2498512239082828e-16, 6.2296781688290401e-17, 0.0091569389277610779, 0.7141537622163836,
0.099997558593750008, 5.9573183500770775e-10, 0.00024401175961937888, 899.92348308142141, 0.38105104739584633, 8.0969926517715119e-11, 1.0009757896848092e-11, 3.5391765981745682e-12, 0.056093915210584953, 2.19906734748642e-08, 0.11850460857783721, 3.1467781203400239e-08, 1.2003493728029067e-08, 1.3715621502695769e-22, 5.4323869142093838e-21, 8.8086062783308057e-13, 3.0506992183858006e-14, 9.5115166905322332e-07, 0.023434526136312403, 4.413651915404166e-11, 0.078636957004148994, 2.2030250757723736e-12, 4.6933695391981002e-06, 1.0899277032314185e-14, 3.5479971263450103e-11, 4.7421290098061062e-08, 3.9757948056109325e-21, 2.1175414893131872e-11, 1.9391725931425317e-14, 1.7015833777261818e-07, 1.0011982845448974e-10, 1.276172227421473e-05, 4.8396371225076741e-21, 3.249883008259097e-16, 6.2297475326025077e-17, 0.0091569463899293917, 0.71415435709755259,
0.10000000000000001, 0.0, 0.0, 900.0, 0.38101969040321526, 7.1850877577791834e-11, 7.1337820901269616e-12, 2.5422317557217399e-12, 0.056074745891970652, 2.4099579367433084e-08, 0.11851947143985252, 3.1467808152977194e-08, 1.2003504048162472e-08, 3.5689239926302268e-22, 5.432392546801164e-21, 8.8086145218681439e-13, 3.0507021422923983e-14, 9.5115250422383128e-07, 0.023425855809081523, 2.4351942950474462e-14, 0.078649329304515458, 2.2030270097806555e-12, 4.693373304408089e-06, 1.0899286565355489e-14, 3.5480000633930829e-11, 4.7421329054277495e-08, 3.9757986080214497e-21, 2.1175433506654001e-11, 1.939174344353998e-14, 1.7015848063413199e-07, 1.0011991204272813e-10, 1.2761732165151522e-05, 4.8396416952473894e-21, 3.2498858627570275e-16, 6.2297530428350828e-17, 0.0091569538330126161, 0.71415495207142055,
PT(S), 0.12507146329086838,
H(S), 2.6686340853994562e-07,
H2O(S), 3.1222449742036392e-05,
OH(S), 0.0075688906038411611,
CO(S), 3.846663270032683e-05,
CO2(S), 4.1655754879456112e-10,
CH3(S), 3.1111323650414048e-09,
CH2(S)s, 3.1111323650414048e-09,
CH(S), 3.1111323650414048e-09,
C(S), 1.3674409634429925e-07,
O(S), 0.86728954366538802,
Can't render this file because it has a wrong number of fields in line 42.

5
Cantera/python/examples/surface_chemistry/catcomb_stagflow/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 \
equil_koh.csv output_0.txt diff*

926
Cantera/python/examples/surface_chemistry/catcomb_stagflow/output_blessed_0.txt Normal file
View file

@ -0,0 +1,926 @@
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> inlet <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Mass Flux: 0.06 kg/m^2/s
Temperature: 300 K
Mass Fractions:
H2 0.003467
O2 0.2312
AR 0.01374
N2 0.7516
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> flow <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Pressure: 1.013e+05 Pa
-------------------------------------------------------------------------------
z u V T lambda H2
-------------------------------------------------------------------------------
0 0.05335 0 300 0 0.003467
0.02 0.04268 0 420 0 0.003467
0.04 0.03201 0 540 0 0.003467
0.06 0.02134 0 660 0 0.003467
0.08 0.01067 0 780 0 0.003467
0.1 0 0 900 0 0.003467
-------------------------------------------------------------------------------
z H O O2 OH H2O
-------------------------------------------------------------------------------
0 0 0 0.2312 0 0
0.02 0 0 0.2312 0 0
0.04 0 0 0.2312 0 0
0.06 0 0 0.2312 0 0
0.08 0 0 0.2312 0 0
0.1 0 0 0.2312 0 0
-------------------------------------------------------------------------------
z HO2 H2O2 C CH CH2
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z CH2(S) CH3 CH4 CO CO2
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z HCO CH2O CH2OH CH3O CH3OH
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z C2H C2H2 C2H3 C2H4 C2H5
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z C2H6 HCCO CH2CO HCCOH AR
-------------------------------------------------------------------------------
0 0 0 0 0 0.01374
0.02 0 0 0 0 0.01374
0.04 0 0 0 0 0.01374
0.06 0 0 0 0 0.01374
0.08 0 0 0 0 0.01374
0.1 0 0 0 0 0.01374
-------------------------------------------------------------------------------
z N2
-------------------------------------------------------------------------------
0 0.7516
0.02 0.7516
0.04 0.7516
0.06 0.7516
0.08 0.7516
0.1 0.7516
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Temperature: 900 K
Coverages:
PT(S) 0.4879
H(S) 2.325e-06
H2O(S) 2.754e-05
OH(S) 0.01437
CO(S) -1.426e-49
CO2(S) 1.147e-55
CH3(S) -3.183e-58
CH2(S)s -1.999e-58
CH(S) -3.059e-58
C(S) -2.748e-52
O(S) 0.4977
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [6] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 4
to resolve T V
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [7] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 5
to resolve V
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [8] point grid(s).
no new points needed in flow
Multiplier = 1e-05
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [8] point grid(s).
no new points needed in flow
Multiplier = 0.0001
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [8] point grid(s).
no new points needed in flow
Multiplier = 0.001
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [8] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 6
to resolve OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [9] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 7
to resolve OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [10] point grid(s).
no new points needed in flow
Multiplier = 0.01
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [10] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 8
to resolve OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [11] point grid(s).
no new points needed in flow
Multiplier = 0.1
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [11] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 9
to resolve OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [12] point grid(s).
no new points needed in flow
Multiplier = 1.0
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [12] point grid(s).
no new points needed in flow
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> inlet <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Mass Flux: 0.06 kg/m^2/s
Temperature: 300 K
Mass Fractions:
H2 0.003467
O2 0.2312
AR 0.01374
N2 0.7516
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> flow <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Pressure: 1.013e+05 Pa
-------------------------------------------------------------------------------
z u V T lambda H2
-------------------------------------------------------------------------------
0 0.05335 3.452e-21 300 -0.4151 0.003467
0.02 0.05058 0.1384 300 -0.4151 0.003466
0.04 0.04229 0.2768 300.1 -0.4151 0.003451
0.06 0.02881 0.4167 303.9 -0.4151 0.003274
0.08 0.01396 0.5863 384.2 -0.4151 0.002136
0.09 0.006538 0.6222 605 -0.4151 0.001115
0.095 0.002168 0.4262 757.2 -0.4151 0.0005624
0.0975 0.0006079 0.2414 830.5 -0.4151 0.0002873
0.09875 0.0001599 0.1275 865.7 -0.4151 0.0001514
0.09938 4.096e-05 0.06544 883 -0.4151 8.389e-05
0.09969 1.036e-05 0.03314 891.5 -0.4151 5.027e-05
0.1 0 0 900 -0.4151 1.685e-05
-------------------------------------------------------------------------------
z H O O2 OH H2O
-------------------------------------------------------------------------------
0 -3.76e-21 -7.809e-21 0.2312 -9.848e-25 7.255e-09
0.02 -2.437e-27 -4.819e-21 0.2312 -7.032e-24 3.36e-07
0.04 3.448e-28 1.853e-21 0.2311 3.057e-24 1.478e-05
0.06 5.551e-26 3.835e-19 0.2308 2.273e-22 0.0005406
0.08 1.124e-22 2.091e-17 0.2222 6.409e-20 0.01075
0.09 2.902e-17 1.443e-15 0.2017 6.916e-16 0.03155
0.095 1.902e-14 7.508e-13 0.1867 2.052e-12 0.04542
0.0975 3.863e-13 3.319e-11 0.1788 5.707e-11 0.05244
0.09875 1.517e-12 2.397e-10 0.175 3.494e-10 0.05589
0.09938 3.587e-12 6.906e-10 0.1731 1.424e-09 0.0576
0.09969 7.287e-12 8.814e-10 0.1721 4.998e-09 0.05845
0.1 1.976e-13 2.444e-11 0.1712 1.889e-08 0.05929
-------------------------------------------------------------------------------
z HO2 H2O2 C CH CH2
-------------------------------------------------------------------------------
0 1.062e-14 1.242e-13 2.11e-21 -1.588e-20 6.143e-23
0.02 5.391e-13 6.344e-12 3.066e-29 -7.217e-29 8.208e-30
0.04 2.595e-11 3.079e-10 4.135e-37 -2.639e-37 2.043e-36
0.06 1.04e-09 1.243e-08 2.502e-45 1.344e-45 7.21e-38
0.08 2.442e-08 2.786e-07 -5.247e-47 -1.64e-44 2.391e-36
0.09 1.493e-07 8.902e-07 -1.866e-47 2.441e-45 7.668e-34
0.095 4.028e-07 1.264e-06 3.215e-49 5.923e-43 9.263e-32
0.0975 7.082e-07 1.364e-06 4.609e-43 8.267e-41 1.651e-30
0.09875 9.256e-07 1.37e-06 4.7e-37 -1.715e-36 6.901e-30
0.09938 1.029e-06 1.366e-06 1.092e-31 -6.732e-31 1.034e-29
0.09969 1.064e-06 1.364e-06 5.905e-27 -6.144e-26 1.137e-25
0.1 1.064e-06 1.364e-06 2.015e-22 -3.613e-21 1.034e-21
-------------------------------------------------------------------------------
z CH2(S) CH3 CH4 CO CO2
-------------------------------------------------------------------------------
0 7e-39 5.014e-22 -2.102e-22 -2.33e-21 5.559e-25
0.02 3.345e-37 -3.042e-20 -7.372e-22 -1.192e-19 3.69e-23
0.04 7.556e-40 -6.63e-20 -2.053e-21 -1.192e-19 -7.566e-23
0.06 3.582e-39 -5.231e-20 -4.215e-21 -1.185e-19 -5.954e-21
0.08 -1.795e-39 -1.336e-21 -1.052e-21 -1.034e-19 -1.746e-19
0.09 1.127e-35 -1.192e-23 1.341e-20 -6.558e-20 -6.879e-19
0.095 1.551e-35 -3.403e-24 2.423e-20 -3.757e-20 -1.108e-18
0.0975 -1.511e-32 -3.626e-23 2.989e-20 -2.314e-20 -1.331e-18
0.09875 -2.883e-31 -9.595e-23 3.261e-20 -1.563e-20 -1.442e-18
0.09938 7.124e-31 -2.192e-23 3.361e-20 -1.157e-20 -1.497e-18
0.09969 1.524e-28 1.442e-22 3.388e-20 -9.552e-21 -1.524e-18
0.1 1.517e-28 4.277e-22 3.401e-20 -2.141e-29 -1.554e-18
-------------------------------------------------------------------------------
z HCO CH2O CH2OH CH3O CH3OH
-------------------------------------------------------------------------------
0 -5.574e-29 1.761e-24 2.191e-42 2.989e-28 -9.39e-23
0.02 -3.704e-27 1.18e-22 -1.901e-42 2.018e-26 -9.214e-23
0.04 -1.623e-34 2.009e-21 -1.101e-41 6.971e-25 -5.917e-23
0.06 5.179e-37 -4.166e-20 2.754e-40 -7.006e-24 -1.067e-21
0.08 -4.319e-31 -1.424e-19 5.658e-37 -6.389e-24 -6.945e-21
0.09 6.803e-30 -1.675e-19 9.657e-32 -6.151e-26 -4.537e-21
0.095 9.522e-29 -1.864e-19 4.442e-30 -3.299e-28 -2.367e-21
0.0975 -8.43e-28 -1.961e-19 1.108e-29 -4.956e-26 -1.23e-21
0.09875 -3.665e-27 -2.011e-19 -2.734e-29 -3.203e-25 -6.792e-22
0.09938 2.148e-29 -2.033e-19 -4.047e-29 -4.367e-25 -4.616e-22
0.09969 -7.589e-25 -2.042e-19 -2.925e-29 -1.192e-25 -4.076e-22
0.1 -7.642e-25 -2.041e-19 -1.982e-29 -7.86e-25 -4.124e-22
-------------------------------------------------------------------------------
z C2H C2H2 C2H3 C2H4 C2H5
-------------------------------------------------------------------------------
0 -4.008e-20 1.208e-22 8.884e-24 -1.111e-27 8.853e-34
0.02 -3.569e-28 2.586e-23 9.999e-31 2.971e-27 6.211e-32
0.04 -2.696e-36 2.58e-23 1.137e-37 2.401e-25 6.393e-32
0.06 -1.101e-40 2.26e-23 9.234e-39 1.236e-23 1.561e-32
0.08 -5.454e-31 -7.5e-23 4.04e-30 3.478e-22 -1.384e-33
0.09 4.673e-38 -3.974e-22 1.369e-32 1.327e-21 -9.078e-32
0.095 -7.381e-35 -6.654e-22 3.846e-31 2.113e-21 9.275e-29
0.0975 -7.038e-33 -8.082e-22 6.286e-31 2.526e-21 2.969e-27
0.09875 -4.01e-32 -8.767e-22 5.158e-30 2.72e-21 1.663e-26
0.09938 1.301e-30 -9.067e-22 3.499e-29 2.8e-21 5.137e-26
0.09969 5.638e-26 -9.22e-22 9.089e-29 2.827e-21 1.708e-25
0.1 1.704e-21 -1.127e-21 9.052e-29 2.828e-21 1.708e-25
-------------------------------------------------------------------------------
z C2H6 HCCO CH2CO HCCOH AR
-------------------------------------------------------------------------------
0 4.642e-22 2.759e-43 2.138e-22 2.642e-24 0.01374
0.02 3.08e-20 -1.894e-41 2.138e-22 2.643e-24 0.01374
0.04 6.74e-20 -9.236e-41 2.137e-22 2.673e-24 0.01374
0.06 7.845e-20 -1.678e-37 2.066e-22 4.537e-24 0.01374
0.08 7.809e-20 -1.316e-29 -2.506e-23 6.672e-23 0.01373
0.09 7.708e-20 1.032e-32 -2.65e-23 6.816e-23 0.01375
0.095 7.634e-20 1.42e-30 -2.779e-23 6.952e-23 0.01378
0.0975 7.598e-20 7.58e-29 -2.85e-23 7.027e-23 0.0138
0.09875 7.581e-20 1.343e-28 -2.886e-23 7.066e-23 0.01381
0.09938 7.575e-20 -1.164e-28 -2.905e-23 7.085e-23 0.01381
0.09969 7.573e-20 -7.588e-28 -2.912e-23 7.09e-23 0.01382
0.1 7.574e-20 -7.792e-28 -2.916e-23 7.091e-23 0.01382
-------------------------------------------------------------------------------
z N2
-------------------------------------------------------------------------------
0 0.7516
0.02 0.7516
0.04 0.7516
0.06 0.7517
0.08 0.7512
0.09 0.7519
0.095 0.7536
0.0975 0.7546
0.09875 0.7552
0.09938 0.7554
0.09969 0.7556
0.1 0.7557
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Temperature: 900 K
Coverages:
PT(S) 0.08847
H(S) 1.366e-07
H2O(S) 1.705e-05
OH(S) 0.005717
CO(S) -3.982e-22
CO2(S) -5.012e-27
CH3(S) 9.995e-28
CH2(S)s 9.995e-28
CH(S) 9.995e-28
C(S) -5.262e-26
O(S) 0.9058
..............................................................................
Attempt Newton solution of steady-state problem... failure.
..............................................................................
Take 1 timesteps 1.5e-05 -0.1099
..............................................................................
Attempt Newton solution of steady-state problem... failure.
..............................................................................
Take 2 timesteps 3.375e-05 -0.8978
..............................................................................
Attempt Newton solution of steady-state problem... failure.
..............................................................................
Take 5 timesteps 0.0001281 -0.8981
..............................................................................
Attempt Newton solution of steady-state problem... failure.
..............................................................................
Take 10 timesteps 0.003695 -0.9064
..............................................................................
Attempt Newton solution of steady-state problem... failure.
..............................................................................
Take 10 timesteps 0.1065 -1.056
..............................................................................
Attempt Newton solution of steady-state problem... failure.
..............................................................................
Take 10 timesteps 0.7679 -0.2309
..............................................................................
Attempt Newton solution of steady-state problem... failure.
..............................................................................
Take 10 timesteps 1.845 2.304
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [12] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 0 1 2 3 4 5 6 7 8 9 10
to resolve C2H4 C2H6 CH2O CH3 CH3OH CH4 CO CO2 H2 H2O H2O2 HO2 O2 OH T V u
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [23] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 6 7 8 9 10 11 13 21
to resolve C2H4 C2H6 CH2O CH3OH CH4 CO CO2 H2 H2O H2O2 HO2 O2 OH T V u
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [31] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 29
to resolve OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [32] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 29 30
to resolve OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [34] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 13 31 32
to resolve CO OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [37] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 34 35
to resolve OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [39] point grid(s).
##############################################################################
Refining grid in flow.
New points inserted after grid points 37
to resolve OH
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [40] point grid(s).
no new points needed in flow
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> inlet <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Mass Flux: 0.06 kg/m^2/s
Temperature: 300 K
Mass Fractions:
O2 0.2204
CH4 0.04998
AR 0.0131
N2 0.7166
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> flow <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Pressure: 1.013e+05 Pa
-------------------------------------------------------------------------------
z u V T lambda H2
-------------------------------------------------------------------------------
0 0.05304 -5.437e-23 300 -0.389 -1.444e-16
0.01 0.05239 0.06484 300 -0.389 -5.488e-17
0.02 0.05045 0.1297 300 -0.389 6.351e-16
0.03 0.0472 0.1945 300 -0.389 5.782e-15
0.04 0.04266 0.2594 300 -0.389 4.204e-14
0.05 0.03683 0.3242 300 -0.389 2.764e-13
0.06 0.0297 0.389 300 -0.389 1.616e-12
0.065 0.02566 0.4215 300.1 -0.389 4.196e-12
0.07 0.02133 0.4542 300.8 -0.389 1.1e-11
0.075 0.01687 0.4884 304.7 -0.389 2.687e-11
0.08 0.01264 0.528 322.6 -0.389 5.792e-11
0.0825 0.01082 0.5514 347.3 -0.389 8.044e-11
0.085 0.009225 0.5751 392.3 -0.389 1.064e-10
0.0875 0.007653 0.5891 459.8 -0.389 1.336e-10
0.08875 0.006792 0.5862 500.5 -0.389 1.477e-10
0.09 0.005872 0.5736 544.6 -0.389 1.616e-10
0.09125 0.004899 0.5494 590.7 -0.389 1.751e-10
0.0925 0.003902 0.5123 637.7 -0.389 1.881e-10
0.09375 0.00292 0.4615 684.6 -0.389 2.007e-10
0.095 0.002002 0.3966 730.6 -0.389 2.125e-10
0.09625 0.001199 0.3176 775.4 -0.389 2.218e-10
0.09688 0.0008577 0.2729 797.1 -0.389 2.233e-10
0.0975 0.0005646 0.2248 818.5 -0.389 2.207e-10
0.09813 0.0003262 0.1734 839.5 -0.389 2.104e-10
0.09875 0.0001488 0.1188 860.1 -0.389 1.853e-10
0.09906 8.474e-05 0.09025 870.2 -0.389 1.619e-10
0.09938 3.813e-05 0.06094 880.2 -0.389 1.28e-10
0.09953 2.158e-05 0.04599 885.2 -0.389 1.053e-10
0.09969 9.647e-06 0.03085 890.2 -0.389 7.788e-11
0.09984 2.427e-06 0.01552 895.1 -0.389 4.473e-11
0.09992 6.081e-07 0.007785 897.5 -0.389 2.562e-11
0.09994 3.424e-07 0.005843 898.2 -0.389 2.061e-11
0.09996 1.523e-07 0.003899 898.8 -0.389 1.552e-11
0.09997 8.57e-08 0.002925 899.1 -0.389 1.295e-11
0.09998 3.81e-08 0.001951 899.4 -0.389 1.036e-11
0.09999 2.144e-08 0.001463 899.5 -0.389 9.059e-12
0.09999 9.529e-09 0.0009758 899.7 -0.389 7.757e-12
0.1 2.383e-09 0.000488 899.8 -0.389 6.453e-12
0.1 5.957e-10 0.000244 899.9 -0.389 5.801e-12
0.1 0 0 900 -0.389 5.147e-12
-------------------------------------------------------------------------------
z H O O2 OH H2O
-------------------------------------------------------------------------------
0 4.378e-19 3.259e-19 0.2204 -1.783e-17 3.469e-14
0.01 7.793e-26 5.633e-18 0.2204 -2.897e-21 8.45e-13
0.02 -1.472e-31 1.922e-18 0.2204 1.199e-21 2.035e-11
0.03 1.143e-33 6.291e-19 0.2204 3.929e-22 4.732e-10
0.04 5.621e-33 1.929e-19 0.2204 1.205e-22 1.034e-08
0.05 2.771e-32 5.369e-20 0.2204 5.696e-23 2.056e-07
0.06 1.53e-31 1.311e-20 0.2204 7.672e-21 3.567e-06
0.065 4.567e-30 7.338e-21 0.2203 3.063e-19 2.173e-05
0.07 1.112e-27 3.618e-20 0.2202 1.399e-17 0.0001421
0.075 2.173e-25 4.379e-19 0.2194 4.616e-16 0.0008161
0.08 2.057e-23 4.671e-18 0.2153 7.703e-15 0.003744
0.0825 1.851e-22 1.181e-17 0.2094 2.454e-14 0.007561
0.085 1.748e-21 1.588e-17 0.1985 5.671e-14 0.01395
0.0875 1.42e-19 1.335e-17 0.1822 1.026e-13 0.02271
0.08875 1.945e-18 1.895e-17 0.1719 1.415e-13 0.02789
0.09 2.151e-17 6.883e-17 0.1606 1.972e-13 0.03337
0.09125 1.806e-16 4.343e-16 0.1486 2.873e-13 0.03898
0.0925 1.135e-15 2.712e-15 0.1362 4.572e-13 0.04461
0.09375 5.383e-15 1.437e-14 0.1236 8.342e-13 0.05018
0.095 2.004e-14 6.317e-14 0.1112 1.794e-12 0.05563
0.09625 6.326e-14 2.396e-13 0.09893 4.512e-12 0.06091
0.09688 1.117e-13 4.633e-13 0.09285 7.725e-12 0.06352
0.0975 1.96e-13 8.873e-13 0.08686 1.365e-11 0.06608
0.09813 3.485e-13 1.714e-12 0.08096 2.51e-11 0.06859
0.09875 6.419e-13 3.406e-12 0.07516 4.865e-11 0.07105
0.09906 9.038e-13 4.967e-12 0.07228 7.051e-11 0.07227
0.09938 1.297e-12 7.366e-12 0.06943 1.044e-10 0.07348
0.09953 1.574e-12 9.07e-12 0.068 1.289e-10 0.07409
0.09969 1.906e-12 1.111e-11 0.06659 1.613e-10 0.07469
0.09984 2.19e-12 1.271e-11 0.06517 2.387e-10 0.07528
0.09992 1.955e-12 1.11e-11 0.06443 7.818e-10 0.07554
0.09994 1.737e-12 9.794e-12 0.06427 1.684e-09 0.07563
0.09996 1.422e-12 7.962e-12 0.06411 3.383e-09 0.07572
0.09997 1.21e-12 6.756e-12 0.06402 4.877e-09 0.07576
0.09998 9.527e-13 5.31e-12 0.06394 7.005e-09 0.0758
0.09999 8.034e-13 4.477e-12 0.06389 8.415e-09 0.07582
0.09999 6.386e-13 3.561e-12 0.06385 1.01e-08 0.07584
0.1 4.566e-13 2.553e-12 0.06381 1.213e-08 0.07586
0.1 3.585e-13 2.012e-12 0.06379 1.329e-08 0.07587
0.1 2.555e-13 1.445e-12 0.06377 1.457e-08 0.07588
-------------------------------------------------------------------------------
z HO2 H2O2 C CH CH2
-------------------------------------------------------------------------------
0 -9.666e-19 -4.493e-18 1.262e-17 -3.088e-33 -4.675e-18
0.01 -2.558e-17 -4.485e-18 4.07e-25 -2.507e-41 -3.079e-24
0.02 -2.299e-17 -2.646e-18 1.267e-32 3.996e-47 -1.955e-30
0.03 3.923e-17 4.568e-17 3.705e-40 8.684e-53 8.405e-37
0.04 1.509e-15 1.198e-15 9.858e-48 -4.345e-45 5.232e-36
0.05 3.309e-14 2.612e-14 2.288e-55 6.777e-43 2.783e-35
0.06 6.232e-13 4.948e-13 4.499e-63 -1.486e-41 6.152e-32
0.065 4.073e-12 3.251e-12 4.472e-66 2.145e-40 1.504e-29
0.07 2.872e-11 2.304e-11 -6.35e-64 -7.008e-40 4.518e-27
0.075 1.774e-10 1.429e-10 -3.373e-59 -1.151e-37 8.646e-25
0.08 8.809e-10 7.066e-10 4.099e-57 1.794e-37 6.849e-23
0.0825 1.905e-09 1.488e-09 2.113e-56 1.107e-37 4.861e-22
0.085 3.822e-09 2.87e-09 9.05e-51 -1.073e-37 2.388e-21
0.0875 6.817e-09 4.853e-09 1.487e-43 7.878e-36 8.794e-21
0.08875 8.802e-09 6.057e-09 6.521e-37 5.617e-35 1.804e-20
0.09 1.106e-08 7.346e-09 1.507e-30 -1.359e-33 3.773e-20
0.09125 1.357e-08 8.676e-09 -1.299e-30 1.02e-32 8.435e-20
0.0925 1.628e-08 1.001e-08 -1.164e-31 1.076e-31 2.132e-19
0.09375 1.919e-08 1.13e-08 -3.33e-31 1.651e-30 6.452e-19
0.095 2.228e-08 1.25e-08 -6.332e-31 2.502e-29 2.41e-18
0.09625 2.555e-08 1.354e-08 7.553e-31 4.022e-28 1.11e-17
0.09688 2.731e-08 1.395e-08 1.079e-30 1.829e-27 2.705e-17
0.0975 2.913e-08 1.427e-08 -5.852e-30 8.758e-27 6.963e-17
0.09813 3.103e-08 1.447e-08 1.569e-29 4.6e-26 1.933e-16
0.09875 3.302e-08 1.455e-08 5.534e-35 2.785e-25 5.954e-16
0.09906 3.404e-08 1.456e-08 1.118e-33 7.719e-25 1.133e-15
0.09938 3.506e-08 1.455e-08 4.915e-33 2.28e-24 2.251e-15
0.09953 3.555e-08 1.454e-08 1.089e-32 4.087e-24 3.268e-15
0.09969 3.603e-08 1.452e-08 3.872e-33 7.485e-24 4.849e-15
0.09984 3.649e-08 1.451e-08 -8.636e-29 1.562e-23 8.542e-15
0.09992 3.671e-08 1.45e-08 -1.308e-25 5.673e-23 2.999e-14
0.09994 3.678e-08 1.451e-08 -2.046e-27 1.382e-22 6.567e-14
0.09996 3.685e-08 1.451e-08 1.68e-28 3.455e-22 1.34e-13
0.09997 3.687e-08 1.451e-08 5.132e-27 5.915e-22 1.939e-13
0.09998 3.689e-08 1.451e-08 8.887e-26 1.038e-21 2.768e-13
0.09999 3.69e-08 1.451e-08 6.413e-25 1.384e-21 3.272e-13
0.09999 3.69e-08 1.451e-08 3.647e-24 1.825e-21 3.801e-13
0.1 3.691e-08 1.451e-08 2.059e-23 2.326e-21 4.267e-13
0.1 3.691e-08 1.451e-08 5.854e-23 2.513e-21 4.391e-13
0.1 3.691e-08 1.451e-08 1.523e-22 2.513e-21 4.391e-13
-------------------------------------------------------------------------------
z CH2(S) CH3 CH4 CO CO2
-------------------------------------------------------------------------------
0 -5.135e-33 9.264e-20 0.04998 6.544e-19 8.54e-16
0.01 -1.231e-31 2.27e-18 0.04998 1.735e-17 2.945e-14
0.02 -3.24e-38 8.472e-18 0.04998 1.893e-17 1.004e-12
0.03 9.38e-38 2.567e-17 0.04998 5.896e-17 3.3e-11
0.04 2.565e-37 4.173e-16 0.04998 1.008e-15 1.018e-09
0.05 1.434e-36 8.297e-15 0.04998 2.143e-14 2.854e-08
0.06 3.197e-33 1.448e-13 0.04998 4.035e-13 6.958e-07
0.065 7.814e-31 8.865e-13 0.04997 2.64e-12 5.718e-06
0.07 2.351e-28 5.833e-12 0.04992 1.864e-11 5.128e-05
0.075 4.532e-26 3.388e-11 0.04964 1.152e-10 0.0003979
0.08 3.701e-24 1.622e-10 0.04843 5.694e-10 0.002428
0.0825 2.719e-23 3.678e-10 0.04684 1.21e-09 0.005861
0.085 1.396e-22 8.143e-10 0.04411 2.367e-09 0.01295
0.0875 5.284e-22 1.747e-09 0.0402 4.082e-09 0.02463
0.08875 1.076e-21 2.644e-09 0.0378 5.157e-09 0.03244
0.09 2.201e-21 3.987e-09 0.0352 6.331e-09 0.04132
0.09125 4.729e-21 6.03e-09 0.03247 7.568e-09 0.051
0.0925 1.129e-20 9.216e-09 0.02967 8.824e-09 0.0612
0.09375 3.173e-20 1.437e-08 0.02685 1.004e-08 0.07169
0.095 1.087e-19 2.312e-08 0.02405 1.113e-08 0.08223
0.09625 4.55e-19 3.908e-08 0.0213 1.189e-08 0.09267
0.09688 1.054e-18 5.337e-08 0.01993 1.199e-08 0.09789
0.0975 2.572e-18 7.448e-08 0.01858 1.176e-08 0.103
0.09813 6.757e-18 1.075e-07 0.01725 1.103e-08 0.1081
0.09875 1.966e-17 1.631e-07 0.01594 9.461e-09 0.1131
0.09906 3.632e-17 2.089e-07 0.01528 8.12e-09 0.1156
0.09938 7.004e-17 2.733e-07 0.01464 6.282e-09 0.1181
0.09953 1.001e-16 3.171e-07 0.01432 5.1e-09 0.1193
0.09969 1.463e-16 3.71e-07 0.01399 3.711e-09 0.1206
0.09984 2.529e-16 4.383e-07 0.01367 2.074e-09 0.1218
0.09992 8.727e-16 4.782e-07 0.01351 1.136e-09 0.1223
0.09994 1.9e-15 4.883e-07 0.01347 8.818e-10 0.1225
0.09996 3.873e-15 4.977e-07 0.01343 6.157e-10 0.1227
0.09997 5.62e-15 5.018e-07 0.01341 4.75e-10 0.1228
0.09998 8.112e-15 5.051e-07 0.01339 3.274e-10 0.1228
0.09999 9.755e-15 5.064e-07 0.01338 2.501e-10 0.1229
0.09999 1.171e-14 5.074e-07 0.01337 1.701e-10 0.1229
0.1 1.401e-14 5.081e-07 0.01337 8.69e-11 0.123
0.1 1.521e-14 5.082e-07 0.01336 4.393e-11 0.123
0.1 1.521e-14 5.082e-07 0.01336 2.424e-14 0.123
-------------------------------------------------------------------------------
z HCO CH2O CH2OH CH3O CH3OH
-------------------------------------------------------------------------------
0 -7.124e-26 -1.2e-18 1.174e-40 -7.407e-31 -2.398e-19
0.01 -2.466e-24 -4.189e-17 4.125e-39 -2.603e-29 -2.292e-19
0.02 -1.073e-30 9.596e-19 7.635e-39 -6.982e-30 1.425e-19
0.03 1.373e-34 1.425e-15 6.394e-38 4.275e-28 1.273e-17
0.04 1.343e-33 4.581e-14 6.215e-37 2.035e-25 4.124e-16
0.05 3.44e-32 1.3e-12 7.357e-36 8.862e-23 1.192e-14
0.06 1.218e-29 3.208e-11 3.479e-33 2.902e-20 2.995e-13
0.065 1.122e-27 2.665e-10 9.02e-31 1.162e-18 2.529e-12
0.07 2.788e-25 2.416e-09 3.623e-28 5.367e-17 2.333e-11
0.075 6.551e-23 1.893e-08 9.386e-26 1.889e-15 1.859e-10
0.08 6.694e-21 1.163e-07 9.514e-24 4.093e-14 1.16e-09
0.0825 5.309e-20 2.809e-07 7.289e-23 1.743e-13 2.832e-09
0.085 3.017e-19 6.182e-07 3.835e-22 5.815e-13 6.303e-09
0.0875 1.513e-18 1.165e-06 1.633e-21 1.408e-12 1.2e-08
0.08875 4.047e-18 1.525e-06 4.133e-21 2.09e-12 1.578e-08
0.09 1.204e-17 1.928e-06 1.337e-20 2.946e-12 2.005e-08
0.09125 3.815e-17 2.361e-06 5.34e-20 3.975e-12 2.465e-08
0.0925 1.225e-16 2.81e-06 2.266e-19 5.108e-12 2.946e-08
0.09375 3.893e-16 3.262e-06 9.115e-19 6.194e-12 3.431e-08
0.095 1.227e-15 3.707e-06 3.331e-18 7.184e-12 3.908e-08
0.09625 3.887e-15 4.133e-06 1.114e-17 8.368e-12 4.362e-08
0.09688 7.131e-15 4.335e-06 2.022e-17 9.472e-12 4.58e-08
0.0975 1.319e-14 4.526e-06 3.662e-17 1.1e-11 4.786e-08
0.09813 2.49e-14 4.7e-06 6.728e-17 1.332e-11 4.978e-08
0.09875 4.865e-14 4.851e-06 1.287e-16 1.712e-11 5.152e-08
0.09906 7.026e-14 4.913e-06 1.852e-16 2.025e-11 5.23e-08
0.09938 1.032e-13 4.963e-06 2.751e-16 2.453e-11 5.3e-08
0.09953 1.267e-13 4.982e-06 3.421e-16 2.739e-11 5.331e-08
0.09969 1.568e-13 4.997e-06 4.317e-16 3.085e-11 5.359e-08
0.09984 2.015e-13 5.006e-06 5.79e-16 3.51e-11 5.383e-08
0.09992 3.135e-13 5.005e-06 1.117e-15 3.758e-11 5.391e-08
0.09994 4.743e-13 5.006e-06 1.978e-15 3.817e-11 5.394e-08
0.09996 7.737e-13 5.007e-06 3.626e-15 3.868e-11 5.397e-08
0.09997 1.035e-12 5.008e-06 5.087e-15 3.888e-11 5.398e-08
0.09998 1.406e-12 5.008e-06 7.165e-15 3.902e-11 5.399e-08
0.09999 1.645e-12 5.008e-06 8.51e-15 3.907e-11 5.399e-08
0.09999 1.916e-12 5.008e-06 1.003e-14 3.911e-11 5.399e-08
0.1 2.187e-12 5.008e-06 1.155e-14 3.913e-11 5.4e-08
0.1 2.272e-12 5.008e-06 1.202e-14 3.913e-11 5.4e-08
0.1 2.272e-12 5.008e-06 1.202e-14 3.913e-11 5.4e-08
-------------------------------------------------------------------------------
z C2H C2H2 C2H3 C2H4 C2H5
-------------------------------------------------------------------------------
0 1.227e-17 1.183e-19 -3.634e-17 -1.453e-20 -2.416e-32
0.01 2.4e-25 -1.674e-19 -8.314e-24 3.58e-20 -8.808e-31
0.02 4.527e-33 -1.672e-19 -1.833e-30 1.732e-18 6.634e-30
0.03 8.008e-41 -1.586e-19 -3.789e-37 5.653e-17 1.296e-29
0.04 1.287e-48 9.051e-20 1.15e-38 1.716e-15 1.934e-29
0.05 1.662e-50 6.692e-18 4.924e-36 4.731e-14 1.313e-29
0.06 5.401e-47 1.586e-16 2.165e-33 1.135e-12 5.213e-28
0.065 1.709e-44 1.245e-15 1.396e-31 9.189e-12 1.6e-25
0.07 7.093e-42 1.063e-14 2.148e-29 8.114e-11 6.398e-23
0.075 2.455e-39 7.877e-14 4.523e-27 6.203e-10 1.643e-20
0.08 1.053e-36 4.601e-13 6.194e-25 3.73e-09 1.532e-18
0.0825 4.827e-35 1.081e-12 7.49e-24 8.914e-09 1.051e-17
0.085 3.742e-33 2.326e-12 8.605e-23 1.948e-08 4.643e-17
0.0875 3.029e-31 4.328e-12 1.089e-21 3.666e-08 1.535e-16
0.08875 2.531e-30 5.647e-12 4.556e-21 4.802e-08 3.093e-16
0.09 1.864e-29 7.13e-12 1.976e-20 6.085e-08 6.935e-16
0.09125 1.215e-28 8.734e-12 8.447e-20 7.474e-08 1.766e-15
0.0925 7.3e-28 1.041e-11 3.443e-19 8.929e-08 4.959e-15
0.09375 4.282e-27 1.213e-11 1.329e-18 1.041e-07 1.472e-14
0.095 2.565e-26 1.384e-11 4.923e-18 1.19e-07 4.529e-14
0.09625 1.584e-25 1.552e-11 1.795e-17 1.336e-07 1.45e-13
0.09688 4.08e-25 1.635e-11 3.532e-17 1.407e-07 2.732e-13
0.0975 1.058e-24 1.715e-11 7.023e-17 1.477e-07 5.268e-13
0.09813 2.785e-24 1.791e-11 1.43e-16 1.544e-07 1.057e-12
0.09875 7.552e-24 1.862e-11 3.034e-16 1.607e-07 2.26e-12
0.09906 1.284e-23 1.893e-11 4.583e-16 1.635e-07 3.48e-12
0.09938 2.215e-23 1.922e-11 7.056e-16 1.661e-07 5.531e-12
0.09953 2.945e-23 1.934e-11 8.873e-16 1.673e-07 7.131e-12
0.09969 3.963e-23 1.945e-11 1.126e-15 1.683e-07 9.464e-12
0.09984 6.302e-23 1.954e-11 1.501e-15 1.691e-07 1.555e-11
0.09992 2.149e-22 1.956e-11 2.61e-15 1.694e-07 3.709e-11
0.09994 4.677e-22 1.958e-11 4.25e-15 1.695e-07 5.244e-11
0.09996 9.482e-22 1.959e-11 7.275e-15 1.696e-07 7.199e-11
0.09997 1.373e-21 1.959e-11 9.799e-15 1.696e-07 8.255e-11
0.09998 1.98e-21 1.959e-11 1.31e-14 1.696e-07 9.273e-11
0.09999 2.381e-21 1.959e-11 1.495e-14 1.696e-07 9.706e-11
0.09999 2.851e-21 1.959e-11 1.678e-14 1.696e-07 1.006e-10
0.1 3.357e-21 1.959e-11 1.826e-14 1.696e-07 1.029e-10
0.1 3.536e-21 1.959e-11 1.864e-14 1.696e-07 1.034e-10
0.1 3.537e-21 1.959e-11 1.864e-14 1.696e-07 1.034e-10
-------------------------------------------------------------------------------
z C2H6 HCCO CH2CO HCCOH AR
-------------------------------------------------------------------------------
0 1.396e-17 2.383e-38 -4.516e-27 -1.964e-27 0.0131
0.01 1.551e-17 5.222e-37 -4.494e-27 -1.96e-27 0.0131
0.02 7.878e-17 1.787e-37 -3.608e-27 -1.791e-27 0.0131
0.03 2.24e-15 6.316e-38 3.039e-26 4.674e-27 0.0131
0.04 7.305e-14 6.143e-38 1.254e-24 2.373e-25 0.0131
0.05 2.179e-12 3.273e-37 4.116e-23 7.826e-24 0.0131
0.06 5.656e-11 1.824e-36 1.17e-21 2.225e-22 0.0131
0.065 4.917e-10 8.23e-36 1.105e-20 2.101e-21 0.0131
0.07 4.677e-09 3.693e-34 1.145e-19 2.178e-20 0.0131
0.075 3.839e-08 3.592e-32 1.021e-18 1.941e-19 0.0131
0.08 2.469e-07 2.883e-30 7.082e-18 1.347e-18 0.01311
0.0825 6.164e-07 2.322e-29 1.855e-17 3.527e-18 0.01311
0.085 1.407e-06 1.118e-28 4.425e-17 8.415e-18 0.01311
0.0875 2.747e-06 3.447e-28 8.932e-17 1.699e-17 0.01311
0.08875 3.657e-06 8.576e-28 1.205e-16 2.292e-17 0.01311
0.09 4.7e-06 4.866e-27 1.566e-16 2.978e-17 0.0131
0.09125 5.844e-06 4.916e-26 1.965e-16 3.737e-17 0.01309
0.0925 7.053e-06 4.922e-25 2.389e-16 4.543e-17 0.01308
0.09375 8.294e-06 4.069e-24 2.826e-16 5.375e-17 0.01306
0.095 9.538e-06 2.712e-23 3.266e-16 6.212e-17 0.01305
0.09625 1.076e-05 1.522e-22 3.701e-16 7.042e-17 0.01304
0.09688 1.136e-05 3.555e-22 3.916e-16 7.454e-17 0.01303
0.0975 1.194e-05 8.186e-22 4.128e-16 7.86e-17 0.01303
0.09813 1.25e-05 1.894e-21 4.334e-16 8.258e-17 0.01302
0.09875 1.301e-05 4.488e-21 4.53e-16 8.643e-17 0.01301
0.09906 1.323e-05 7.137e-21 4.624e-16 8.828e-17 0.01301
0.09938 1.343e-05 1.152e-20 4.712e-16 9.006e-17 0.01301
0.09953 1.351e-05 1.479e-20 4.753e-16 9.09e-17 0.013
0.09969 1.358e-05 1.885e-20 4.792e-16 9.172e-17 0.013
0.09984 1.362e-05 2.242e-20 4.828e-16 9.248e-17 0.013
0.09992 1.363e-05 1.982e-20 4.842e-16 9.278e-17 0.01299
0.09994 1.363e-05 1.75e-20 4.847e-16 9.289e-17 0.013
0.09996 1.363e-05 1.423e-20 4.851e-16 9.298e-17 0.013
0.09997 1.364e-05 1.219e-20 4.852e-16 9.301e-17 0.013
0.09998 1.364e-05 9.959e-21 4.854e-16 9.304e-17 0.013
0.09999 1.364e-05 8.883e-21 4.854e-16 9.305e-17 0.013
0.09999 1.364e-05 7.923e-21 4.854e-16 9.306e-17 0.013
0.1 1.364e-05 7.222e-21 4.855e-16 9.306e-17 0.013
0.1 1.364e-05 7.057e-21 4.855e-16 9.307e-17 0.013
0.1 1.364e-05 7.057e-21 4.855e-16 9.307e-17 0.013
-------------------------------------------------------------------------------
z N2
-------------------------------------------------------------------------------
0 0.7166
0.01 0.7166
0.02 0.7166
0.03 0.7166
0.04 0.7166
0.05 0.7166
0.06 0.7166
0.065 0.7166
0.07 0.7166
0.075 0.7167
0.08 0.717
0.0825 0.7172
0.085 0.7173
0.0875 0.7171
0.08875 0.7168
0.09 0.7164
0.09125 0.7159
0.0925 0.7153
0.09375 0.7146
0.095 0.7139
0.09625 0.7131
0.09688 0.7128
0.0975 0.7124
0.09813 0.712
0.09875 0.7117
0.09906 0.7115
0.09938 0.7113
0.09953 0.7112
0.09969 0.7111
0.09984 0.7111
0.09992 0.7106
0.09994 0.7108
0.09996 0.7109
0.09997 0.7109
0.09998 0.7109
0.09999 0.7109
0.09999 0.7109
0.1 0.7109
0.1 0.711
0.1 0.711
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Temperature: 900 K
Coverages:
PT(S) 0.1251
H(S) 2.669e-07
H2O(S) 3.122e-05
OH(S) 0.007569
CO(S) 3.847e-05
CO2(S) 4.166e-10
CH3(S) 3.111e-09
CH2(S)s 3.111e-09
CH(S) 3.111e-09
C(S) 1.367e-07
O(S) 0.8673
Solution saved to file catcomb.xml as solution soln1_3.
solution saved to catcomb.csv
Statistics:
Grid Functions Time Jacobians Time
8 38 0.2000 3 0.3900
9 16 0.1100 2 0.3200
10 8 0.0600 1 0.1900
10 16 0.1200 2 0.3900
10 10 0.0400 1 0.1600
10 14 0.0600 2 0.2700
11 6 0.0200 1 0.1500
12 4 0.0200 1 0.1700
12 16 0.1100 2 0.3500
13 2 0.0200 1 0.1900
13 14 0.1100 2 0.3800
14 4 0.0300 1 0.2200
14 8 0.0600 1 0.2100
14 1241 9.2600 38 8.0000
25 18 0.2700 1 0.4400
33 24 0.4900 2 1.2200
34 6 0.1200 1 0.6300
36 4 0.0900 1 0.6800
39 14 0.3800 2 1.4800
41 2 0.0800 1 0.8400
42 2 0.0800 1 1.2200

64
Cantera/python/examples/surface_chemistry/catcomb_stagflow/runtest.in Executable file
View file

@ -0,0 +1,64 @@
#!/bin/sh
#
#
temp_success="1"
/bin/rm -f output_0.txt catcomb.csv diff_csv.txt diff_out_0.txt
##########################################################################
PYTHON_CMD=@PYTHON_CMD@
prog=catcomb.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 catcomb_blessed_0.csv catcomb.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