Difference between revisions of "Premix CH 4/Air flame with scheme GRI12"

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(DRGEP step)
(DRGEP step)
Line 64: Line 64:
  
  
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.
+
From a detailed 32 species scheme, we obtain reduced schemes (31 to 14 species). and we choose the one with 14 species for the next step.
  
From the reduced scheme with 16 species, the DRGEP reaction step displays the associated 64 reactions (forward, reverse and global) with their rank :  
+
From the reduced scheme with 14 species, the DRGEP reaction step displays the associated 42 reactions (forward, reverse and global) with their rank :  
  
  
  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
+
  
  
  
After this step, by comparing the reference trajectories with the new ones, we choose to delete -- reactions, so the next step is performed with 14 species and 26 reactions.
+
After this step, by comparing the reference trajectories with the new ones, we choose to delete 16 reactions, so the next step is performed with 14 species and 26 reactions.
  
 
[[File:DRGEPR_14sp_26R_Premixed.png|900px|center]]]
 
[[File:DRGEPR_14sp_26R_Premixed.png|900px|center]]]

Revision as of 10:28, 5 July 2017

Objectives

The Stochastic_GRI12 test case shows a reduction of the GRI1.2 scheme for a 1D premixed flame. Starting with 32 species and 177 reactions, we reduce to -- species and -- reactions.

Key parameters

Results

DRGEP step

While running the 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 14 species for the next step.

From the reduced scheme with 14 species, the DRGEP reaction step displays the associated 42 reactions (forward, reverse and global) with their rank :


--
--


After this step, by comparing the reference trajectories with the new ones, we choose to delete 16 reactions, so the next step is performed with 14 species and 26 reactions.

DRGEPR 14sp 26R Premixed.png
]

QSS step

The QSS step provides the QSS criteria of each species and the different links with the others species :


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 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).

In order to obtain the trajectories of the 14-species 26-reaction reduced scheme with these 3 species in QSS hypothesis, we run the getQSSfile step and we obtain the following graphs :

QSS 12sp Premixed.png

Optimisation

Bibliography