Premix CH 4/Air flame with scheme GRI12
From orch
This test case concerns the reduction of the detailed scheme GRI12 for a premixed /air flame at P = 1 bar and initial temperature of the oxidizer and the methane at 300 K, for an equivalence ratio of 0.75. The target species are : , and .
DRGEP species step
Your terminal should display the following information :
scheme : GRI12
number of species : 32
number of reaction : 177
reference flame : flames/flame__Phi_0_75__P_100000__T_300.cantera
Pressure : 1 bar
equivalence ration : 0.75
Composition : <O2:0.202024>
<CH4:0.0379821>
<N2:0.759994>
followed by the the species associated with their rank :
4.17578965277519e-189 AR
1.81320667696424e-06 HCCOH
3.33272520534669e-05 C2H
0.000136594690602079 CH2CO
0.000228724937160335 C
0.00039194258246205 C2H2
0.000909271897890726 HCCO
0.00324304055657054 CH
0.00391278892730799 C2H3
0.00395833642581853 CH3OH
0.00517918655958378 CH2OH
0.0158390004661296 C2H4
0.0158390004661296 C2H5
0.0160151369051444 CH2(S)
0.0209164664682532 C2H6
0.0317122146887158 CH2
0.0395596174129288 H2O2
0.0796917798682698 H2
0.0949180222420726 CH3
0.108929211050051 HCO
0.123697044495215 CH2O
0.154156160901222 H2O
0.165970760424094 CH3O
0.222439341655666 O
0.292243743837601 HO2
0.501413374426018 OH
0.501449580770414 H
1 O2
1 CH4
1 CO
1 CO2
1 N2
From a detailed 32 species scheme, we obtain reduced schemes (31 to 14 species). and we choose the one with 16 species for the next step.
DRGEP reaction step
Forward Reaction 21 2.65556648970097e-07
Forward Reaction 38 3.59315882536714e-07
Forward Reaction 23 9.65075698341805e-07
Forward Reaction 1 1.99147535460019e-05
Forward Reaction 2 3.0108881792819e-05
Forward Reaction 13 3.47632410738041e-05
Forward Reaction 20 4.59273162228091e-05
Forward Reaction 22 6.5421981964005e-05
Forward Reaction 14 0.000202459568561881
Forward Reaction 32 0.000431915681036368
Forward Reaction 34 0.00118726444247531
Forward Reaction 24 0.00123454026913856
Forward Reaction 49 0.00171458689401113
Forward Reaction 8 0.00208933537669543
Forward Reaction 5 0.00250073950975345
Forward Reaction 58 0.0029328736849909
Forward Reaction 43 0.00313423440659561
Forward Reaction 28 0.00354315828849563
Forward Reaction 29 0.00432410581918681
Forward Reaction 12 0.0057324416995053
Forward Reaction 9 0.00723850780173652
Forward Reaction 36 0.00726467938447275
Forward Reaction 37 0.00762305984810174
Forward Reaction 60 0.00837071310423301
Forward Reaction 55 0.00967067770549656
Forward Reaction 10 0.00995938114471742
Forward Reaction 57 0.0108452284679802
Forward Reaction 52 0.0116823138863233
Forward Reaction 54 0.0119088964221497
Forward Reaction 59 0.0135395604975599
Forward Reaction 33 0.0181258505484799
Forward Reaction 47 0.0253199169874118
Forward Reaction 44 0.0264882781521135
Forward Reaction 26 0.0266647357653343
Forward Reaction 51 0.0304998981070071
Forward Reaction 15 0.0371215003811295
Forward Reaction 11 0.0399553627623278
Forward Reaction 3 0.041383550622097
Forward Reaction 40 0.0423920603038843
Forward Reaction 7 0.044772464197727
Forward Reaction 25 0.0535989530406037
Forward Reaction 16 0.0610705690098053
Forward Reaction 35 0.0679285389879311
Forward Reaction 31 0.0861435044392661
Forward Reaction 4 0.101457456453875
Forward Reaction 62 0.117321589614816
Forward Reaction 50 0.122522429384353
Forward Reaction 30 0.125925739824055
Forward Reaction 56 0.132842559901436
Forward Reaction 48 0.141585643145976
Forward Reaction 42 0.1433270053236
Forward Reaction 27 0.146996704912892
Forward Reaction 6 0.16809842491251
Forward Reaction 39 0.176387128734029
Forward Reaction 61 0.179573129626405
Forward Reaction 17 0.203621024287784
Forward Reaction 64 0.233186012643771
Forward Reaction 41 0.239820536416947
Forward Reaction 45 0.286746138901124
Forward Reaction 19 0.288675611970156
Forward Reaction 18 0.337396372672854
Forward Reaction 53 0.455185941896789
Forward Reaction 63 0.47505870587493
Forward Reaction 46 0.475815176666637
Reverse Reaction 57 3.26837333436618e-12
Reverse Reaction 21 6.67279884511109e-12
Reverse Reaction 23 5.29972901270141e-11
Reverse Reaction 12 2.84364117848902e-10
Reverse Reaction 36 3.24456989903868e-10
Reverse Reaction 49 4.05658008947093e-10
Reverse Reaction 59 4.9890704681467e-10
Reverse Reaction 1 1.92428659747618e-09
Reverse Reaction 2 1.99392621471512e-09
Reverse Reaction 20 2.16276381931258e-09
Reverse Reaction 6 2.52739670778618e-09
Reverse Reaction 22 3.16920782516018e-09
Reverse Reaction 29 5.53619863377469e-08
Reverse Reaction 24 1.1390686408026e-07
Reverse Reaction 8 1.29677332653173e-07
Reverse Reaction 10 2.02416386643742e-07
Reverse Reaction 9 2.71149137178157e-07
Reverse Reaction 33 3.78473412952319e-07
Reverse Reaction 55 4.3199571388129e-07
Reverse Reaction 50 4.54932959918036e-07
Reverse Reaction 64 1.12253587393686e-06
Reverse Reaction 60 1.2356354288313e-06
Reverse Reaction 47 1.28935417904187e-06
Reverse Reaction 54 2.73797526364995e-06
Reverse Reaction 32 4.18614414933338e-06
Reverse Reaction 52 4.79955686596551e-06
Reverse Reaction 30 8.46320800650365e-06
Reverse Reaction 25 1.50550332054416e-05
Reverse Reaction 53 1.93658450703091e-05
Reverse Reaction 38 2.01388692854111e-05
Reverse Reaction 13 2.55894190167331e-05
Reverse Reaction 51 2.76559797018055e-05
Reverse Reaction 16 4.31154735714836e-05
Reverse Reaction 26 9.69996379244262e-05
Reverse Reaction 14 0.000154180216525888
Reverse Reaction 4 0.000165802544190284
Reverse Reaction 43 0.000175030766020729
Reverse Reaction 5 0.000183840087461255
Reverse Reaction 35 0.000297321330777284
Reverse Reaction 11 0.000326419107864007
Reverse Reaction 63 0.000464693218352857
Reverse Reaction 27 0.000507493503463543
Reverse Reaction 15 0.000543996911899647
Reverse Reaction 28 0.000659861549924196
Reverse Reaction 42 0.00079354399745841
Reverse Reaction 18 0.00088718660386306
Reverse Reaction 7 0.000891022538571035
Reverse Reaction 48 0.00172926649982152
Reverse Reaction 58 0.0020901475838583
Reverse Reaction 44 0.00258349035657405
Reverse Reaction 17 0.0047957340669952
Reverse Reaction 45 0.00724730179449375
Reverse Reaction 31 0.0113005044060406
Reverse Reaction 40 0.0266061298369107
Reverse Reaction 37 0.0278617799543521
Reverse Reaction 56 0.0335013935007282
Reverse Reaction 3 0.0386836179578153
Reverse Reaction 62 0.0449829236142434
Reverse Reaction 61 0.0731704008495751
Reverse Reaction 39 0.17441580021743
Reverse Reaction 41 0.242666175050817
Reverse Reaction 34 0.282156513749663
Reverse Reaction 19 0.284651069320427
Reverse Reaction 46 0.353960749712388
Reaction 21 2.65555052795916e-07
Reaction 23 9.65066418064913e-07
Reaction 38 1.97795534028744e-05
Reaction 1 1.99144877950711e-05
Reaction 13 2.20296368066119e-05
Reaction 2 3.01086022514823e-05
Reaction 20 4.5926943770907e-05
Reaction 22 6.54214371838278e-05
Reaction 14 0.000165706685950761
Reaction 32 0.000427729536887034
Reaction 24 0.00123452687175447
Reaction 49 0.00171458673892465
Reaction 58 0.00203483219883547
Reaction 8 0.00208933247158809
Reaction 5 0.00243954779998703
Reaction 43 0.00313303820563117
Reaction 28 0.00315033572398461
Reaction 29 0.00432410581916994
Reaction 12 0.0057324416995053
Reaction 9 0.00723850770916207
Reaction 36 0.00726467938447275
Reaction 60 0.00837038219010652
Reaction 55 0.00967047269391794
Reaction 10 0.00995938113965295
Reaction 57 0.0108452284679802
Reaction 3 0.0112397150848352
Reaction 52 0.0116823131946808
Reaction 54 0.0119088964202926
Reaction 59 0.0135395604545309
Reaction 33 0.0181258503488236
Reaction 40 0.0227744636401871
Reaction 47 0.0253199166571105
Reaction 44 0.0254598000870415
Reaction 37 0.0255259521093582
Reaction 26 0.0266583779916076
Reaction 51 0.0304954476547812
Reaction 15 0.0371215003811294
Reaction 11 0.0399553627436466
Reaction 7 0.0444807410030957
Reaction 25 0.0535989530406037
Reaction 41 0.0589427122863707
Reaction 16 0.0610705690098053
Reaction 35 0.0679283414934569
Reaction 31 0.0770607686330011
Reaction 4 0.101457456453875
Reaction 62 0.117137049211189
Reaction 50 0.122522429384353
Reaction 56 0.124033601156345
Reaction 30 0.125925739820876
Reaction 48 0.141585643145976
Reaction 42 0.142533461326142
Reaction 27 0.14699292988816
Reaction 39 0.164887706718602
Reaction 6 0.168098424304262
Reaction 61 0.179259480480642
Reaction 17 0.201385465570516
Reaction 19 0.203439999114996
Reaction 64 0.233186012643771
Reaction 34 0.282007968901971
Reaction 45 0.285566918056148
Reaction 18 0.337396372672854
Reaction 53 0.455185941896524
Reaction 63 0.47505870587493
Reaction 46 0.475815176666636
QSS step
Species H2 0.0769830846273742
Species H 0.0376368421057076
Species O 0.0167167775887314
Species O2 0.258674891061719
Species OH 0.0125468871801414
Species H2O 0.178212801707615
Species HO2 0.0117252032062939
Species H2O2 0.022738289520887
Species CH3 0.135965474597304
Species CH4 0.792369178550483
Species CO 0.7113619941787
Species CO2 0.677676406648207
Species HCO 0.00241863256278453
Species CH2O 0.0628591925432011
Species CH3O 0.00992597522895945
Species N2 0
Interactions with species H2 with QSS Criteria 0.0769830846273742
O:1 OH:1 CH3:1 HCO:1
Interactions with species H with QSS Criteria 0.0376368421057076
OH:1 H2O:3 HO2:3 CH3:1 HCO:1 CH2O:3 CH3O:1 N2:1
Interactions with species O with QSS Criteria 0.0167167775887314
H2:1 OH:1 H2O:2 HO2:1 CH3:1 CH2O:1 CH3O:1
Interactions with species OH with QSS Criteria 0.0125468871801414
H2:1 H:1 O:1 OH:3 HO2:1 H2O2:1 CH3:2 HCO:2 CH2O:1 CH3O:1
Interactions with species H2O with QSS Criteria 0.178212801707615
H:3 O:2 HO2:2 CH3:1 HCO:2
Interactions with species HO2 with QSS Criteria 0.0117252032062939
H:3 O:1 OH:1 H2O:2 HO2:2 CH3:2 CH2O:1 N2:1
Interactions with species H2O2 with QSS Criteria 0.022738289520887
OH:1
Interactions with species CH3 with QSS Criteria 0.135965474597304
H2:1 H:1 O:1 OH:2 H2O:1 HO2:2 HCO:1
Interactions with species HCO with QSS Criteria 0.00241863256278453
H2:1 H:1 OH:2 H2O:2 CH3:1
Interactions with species CH2O with QSS Criteria 0.0628591925432011
H:3 O:1 OH:1 HO2:1
Interactions with species CH3O with QSS Criteria 0.00992597522895945
H:1 O:1 OH:1
Interactions with species N2 with QSS Criteria 0
H:1 HO2:1
We choose to put the species N2, CH3O and HCO in QSS hypothesis due to their low QSS coefficient. The species HO2 could have been a good candidate too but it is linked to himself (non linearity)
