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cantera/test_problems/mixGasTransport/output_blessed.txt
Ray Speth 8bcb62f727 Fix GRI3.0 transport coefficients 
The old (C++) ck2cti program unnecessarily rounded some species transport
coefficients. This updates the coefficients in the input files derived from GRI
3.0, and updates the test comparisons for affected tests.
2019-02-25 11:05:40 -05:00

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Dump of the mixture Diffusivities:
H2 0.0016107
H 0.0022574
O 0.00063999
O2 0.00042269
OH 0.00062913
H2O 0.00055424
HO2 0.00042023
H2O2 0.00041768
C 0.00059195
CH 0.0006799
CH2 0.00046059
CH2(S) 0.00046059
CH3 0.00045136
CH4 0.00045015
CO 0.00040247
CO2 0.00033147
HCO 0.00036175
CH2O 0.00035909
CH2OH 0.00035011
CH3O 0.00035011
CH3OH 0.00035173
C2H 0.00035224
C2H2 0.00034903
C2H3 0.00034603
C2H4 0.00034608
C2H5 0.00031741
C2H6 0.00031508
HCCO 0.00053053
CH2CO 0.00030621
HCCOH 0.00030621
N 0.00056498
NH 0.00067368
NH2 0.00066006
NH3 0.00050196
NNH 0.00040499
NO 0.00041195
NO2 0.00037009
N2O 0.00033512
HNO 0.00041859
CN 0.00040675
HCN 0.00035835
H2CN 0.00035542
HCNN 0.00053052
HCNO 0.00033645
HOCN 0.00033645
HNCO 0.00033645
NCO 0.00033787
N2 0.00039169
AR 0.00041228
C3H7 0.00024654
C3H8 0.00024556
CH2CHO 0.00030493
CH3CHO 0.0003037
Dump of the species viscosities:
H2 2.5558e-05
H 3.012e-05
O 7.2846e-05
O2 6.2392e-05
OH 7.5106e-05
H2O 5.3065e-05
HO2 6.3367e-05
H2O2 6.4327e-05
C 4.4619e-05
CH 6.5712e-05
CH2 3.2735e-05
CH2(S) 3.2735e-05
CH3 3.3891e-05
CH4 3.6125e-05
CO 5.31e-05
CO2 5.4296e-05
HCO 4.1657e-05
CH2O 4.2374e-05
CH2OH 4.1945e-05
CH3O 4.1945e-05
CH3OH 4.3279e-05
C2H 3.5412e-05
C2H2 3.6118e-05
C2H3 3.681e-05
C2H4 3.7956e-05
C2H5 3.356e-05
C2H6 3.4137e-05
HCCO 0.00012854
CH2CO 4.2391e-05
HCCOH 4.2391e-05
N 4.8184e-05
NH 7.5995e-05
NH2 7.8504e-05
NH3 4.7175e-05
NNH 5.2298e-05
NO 5.5891e-05
NO2 6.636e-05
N2O 5.2914e-05
HNO 5.9496e-05
CN 4.7696e-05
HCN 3.7899e-05
H2CN 3.86e-05
HCNN 0.00012855
HCNO 5.2316e-05
HOCN 5.2316e-05
HNCO 5.2316e-05
NCO 5.17e-05
N2 5.4003e-05
AR 7.2525e-05
C3H7 3.0167e-05
C3H8 3.0518e-05
CH2CHO 4.2896e-05
CH3CHO 4.3395e-05
Dump of the Thermal Diffusivities :
H2 0
H 0
O 0
O2 0
OH 0
H2O 0
HO2 0
H2O2 0
C 0
CH 0
CH2 0
CH2(S) 0
CH3 0
CH4 0
CO 0
CO2 0
HCO 0
CH2O 0
CH2OH 0
CH3O 0
CH3OH 0
C2H 0
C2H2 0
C2H3 0
C2H4 0
C2H5 0
C2H6 0
HCCO 0
CH2CO 0
HCCOH 0
N 0
NH 0
NH2 0
NH3 0
NNH 0
NO 0
NO2 0
N2O 0
HNO 0
CN 0
HCN 0
H2CN 0
HCNN 0
HCNO 0
HOCN 0
HNCO 0
NCO 0
N2 0
AR 0
C3H7 0
C3H8 0
CH2CHO 0
CH3CHO 0
Viscosity and thermal Cond vs. T
400 1.974e-05 0.06423
500 2.355e-05 0.07664
600 2.711e-05 0.08875
700 3.046e-05 0.1007
800 3.365e-05 0.1127
900 3.669e-05 0.1246
1000 3.962e-05 0.1364
1100 4.243e-05 0.1482
1200 4.515e-05 0.1598
1300 4.779e-05 0.1714
Binary Diffusion Coefficients H2 vs species
H2 - H2 0.001688 0.001688
H2 - H 0.002572 0.002572
H2 - O 0.001268 0.001268
H2 - O2 0.0009518 0.0009518
H2 - OH 0.001264 0.001264
H2 - H2O 0.001132 0.001132
H2 - HO2 0.000951 0.000951
H2 - H2O2 0.0009501 0.0009501
H2 - C 0.001084 0.001084
H2 - CH 0.001284 0.001284
H2 - CH2 0.0008692 0.0008692
H2 - CH2(S) 0.0008692 0.0008692
H2 - CH3 0.0008655 0.0008655
H2 - CH4 0.0008775 0.0008775
H2 - CO 0.0009072 0.0009072
H2 - CO2 0.0008059 0.0008059
H2 - HCO 0.00081 0.00081
H2 - CH2O 0.0008091 0.0008091
H2 - CH2OH 0.0007957 0.0007957
H2 - CH3O 0.0007957 0.0007957
H2 - CH3OH 0.0008008 0.0008008
H2 - C2H 0.0007517 0.0007517
H2 - C2H2 0.0007506 0.0007506
H2 - C2H3 0.0007496 0.0007496
H2 - C2H4 0.0007587 0.0007587
H2 - C2H5 0.0006959 0.0006959
H2 - C2H6 0.0006952 0.0006952
H2 - HCCO 0.001276 0.001276
H2 - CH2CO 0.0007238 0.0007238
H2 - HCCOH 0.0007238 0.0007238
H2 - N 0.001072 0.001072
H2 - NH 0.001319 0.001319
H2 - NH2 0.001314 0.001314
H2 - NH3 0.001032 0.001032
H2 - NNH 0.0008883 0.0008883
H2 - NO 0.0009136 0.0009136
H2 - NO2 0.0008864 0.0008864
H2 - N2O 0.0007935 0.0007935
H2 - HNO 0.0009365 0.0009365
H2 - CN 0.0008731 0.0008731
H2 - HCN 0.000793 0.000793
H2 - H2CN 0.000792 0.000792
H2 - HCNN 0.001276 0.001276
H2 - HCNO 0.0007939 0.0007939
H2 - HOCN 0.0007939 0.0007939
H2 - HNCO 0.0007939 0.0007939
H2 - NCO 0.0007944 0.0007944
H2 - N2 0.0009156 0.0009156
H2 - AR 0.000967 0.000967
H2 - C3H7 0.0005726 0.0005726
H2 - C3H8 0.0005723 0.0005723
H2 - CH2CHO 0.0007234 0.0007234
H2 - CH3CHO 0.000723 0.000723
Dump of the species mobilities:
H2 0.01134
H 0.01587
O 0.004503
O2 0.002971
OH 0.004426
H2O 0.003878
HO2 0.002955
H2O2 0.002937
C 0.004165
CH 0.004783
CH2 0.003236
CH2(S) 0.003236
CH3 0.003172
CH4 0.003162
CO 0.002829
CO2 0.002325
HCO 0.002528
CH2O 0.00251
CH2OH 0.002446
CH3O 0.002446
CH3OH 0.002459
C2H 0.002472
C2H2 0.00245
C2H3 0.002429
C2H4 0.002426
C2H5 0.002226
C2H6 0.00221
HCCO 0.003728
CH2CO 0.002142
HCCOH 0.002142
N 0.003975
NH 0.00474
NH2 0.00464
NH3 0.003501
NNH 0.00285
NO 0.002897
NO2 0.002598
N2O 0.002351
HNO 0.002943
CN 0.002862
HCN 0.002502
H2CN 0.002482
HCNN 0.003728
HCNO 0.002361
HOCN 0.002361
HNCO 0.002361
NCO 0.002371
N2 0.002752
AR 0.002897
C3H7 0.001729
C3H8 0.001722
CH2CHO 0.002133
CH3CHO 0.002124
Dump of the species fluxes:
H2 4.951e-06 4.757e-07
H 1.783e-08 1.788e-08
O 1.034e-12 1.045e-12
O2 4.395e-13 4.462e-13
OH 3.441e-09 3.477e-09
H2O 1.868e-05 3.483e-05
HO2 3.72e-16 3.778e-16
H2O2 2.949e-15 2.995e-15
C 2.5e-21 2.528e-21
CH 2.705e-20 2.731e-20
CH2 1.243e-17 1.261e-17
CH2(S) 4.311e-19 4.372e-19
CH3 3.078e-14 3.122e-14
CH4 4.069e-12 4.127e-12
CO 3.869e-05 1.665e-05
CO2 -1.093e-05 -2.072e-05
HCO 1.17e-11 1.191e-11
CH2O 1.786e-11 1.819e-11
CH2OH 1.159e-16 1.18e-16
CH3O 1.177e-18 1.198e-18
CH3OH 1.655e-15 1.685e-15
C2H 5.556e-22 5.658e-22
C2H2 2.169e-16 2.21e-16
C2H3 5.562e-21 5.666e-21
C2H4 2.329e-18 2.372e-18
C2H5 7.969e-23 8.131e-23
C2H6 1.146e-21 1.169e-21
HCCO 2.378e-18 2.407e-18
CH2CO 5.06e-16 5.167e-16
HCCOH 6.66e-20 6.8e-20
N 3.744e-15 3.787e-15
NH 4.445e-14 4.488e-14
NH2 2.122e-12 2.143e-12
NH3 1.682e-09 1.703e-09
NNH 5.774e-14 5.866e-14
NO 8.791e-11 8.929e-11
NO2 1.604e-17 1.632e-17
N2O 3.866e-15 3.94e-15
HNO 1.155e-14 1.173e-14
CN 5.678e-16 5.768e-16
HCN 1.336e-10 1.36e-10
H2CN 6.123e-17 6.235e-17
HCNN 8.093e-23 8.192e-23
HCNO 1.675e-19 1.707e-19
HOCN 3.331e-14 3.395e-14
HNCO 5.349e-11 5.451e-11
NCO 5.156e-15 5.254e-15
N2 -5.14e-05 -3.126e-05
AR 0 0
C3H7 4.998e-32 5.127e-32
C3H8 6.904e-31 7.084e-31
CH2CHO 6.667e-21 6.808e-21
CH3CHO 2.198e-19 2.245e-19
sum in x direction = 0
sum in y direction = 0
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