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cantera/test_problems/multiGasTransport/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 0.0016
H 0.0023
O 0.00064
O2 0.00042
OH 0.00063
H2O 0.00055
HO2 0.00042
H2O2 0.00042
C 0.00059
CH 0.00068
CH2 0.00046
CH2(S) 0.00046
CH3 0.00045
CH4 0.00045
CO 0.0004
CO2 0.00033
HCO 0.00036
CH2O 0.00036
CH2OH 0.00035
CH3O 0.00035
CH3OH 0.00035
C2H 0.00035
C2H2 0.00035
C2H3 0.00035
C2H4 0.00035
C2H5 0.00032
C2H6 0.00032
HCCO 0.00053
CH2CO 0.00031
HCCOH 0.00031
N 0.00056
NH 0.00067
NH2 0.00066
NH3 0.0005
NNH 0.0004
NO 0.00041
NO2 0.00037
N2O 0.00034
HNO 0.00042
CN 0.00041
HCN 0.00036
H2CN 0.00036
HCNN 0.00053
HCNO 0.00034
HOCN 0.00034
HNCO 0.00034
NCO 0.00034
N2 0.00039
AR 0.00041
C3H7 0.00025
C3H8 0.00025
CH2CHO 0.0003
CH3CHO 0.0003
Dump of the species viscosities:
H2 2.556e-05
H 3.012e-05
O 7.285e-05
O2 6.239e-05
OH 7.511e-05
H2O 5.306e-05
HO2 6.337e-05
H2O2 6.433e-05
C 4.462e-05
CH 6.571e-05
CH2 3.273e-05
CH2(S) 3.273e-05
CH3 3.389e-05
CH4 3.612e-05
CO 5.31e-05
CO2 5.43e-05
HCO 4.166e-05
CH2O 4.237e-05
CH2OH 4.194e-05
CH3O 4.194e-05
CH3OH 4.328e-05
C2H 3.541e-05
C2H2 3.612e-05
C2H3 3.681e-05
C2H4 3.796e-05
C2H5 3.356e-05
C2H6 3.414e-05
HCCO 0.0001285
CH2CO 4.239e-05
HCCOH 4.239e-05
N 4.818e-05
NH 7.6e-05
NH2 7.85e-05
NH3 4.717e-05
NNH 5.23e-05
NO 5.589e-05
NO2 6.636e-05
N2O 5.291e-05
HNO 5.95e-05
CN 4.77e-05
HCN 3.79e-05
H2CN 3.86e-05
HCNN 0.0001285
HCNO 5.232e-05
HOCN 5.232e-05
HNCO 5.232e-05
NCO 5.17e-05
N2 5.4e-05
AR 7.253e-05
C3H7 3.017e-05
C3H8 3.052e-05
CH2CHO 4.29e-05
CH3CHO 4.34e-05
Dump of the Thermal Diffusivities :
H2 -1.749e-06
H -5.795e-10
O -1.037e-14
O2 2.976e-15
OH -2.878e-11
H2O -8.672e-07
HO2 0
H2O2 0
C 0
CH 0
CH2 0
CH2(S) 0
CH3 0
CH4 -3.239e-14
CO 7.583e-07
CO2 7.037e-07
HCO 7.189e-14
CH2O 1.204e-13
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 -2.098e-14
NH3 -1.208e-11
NNH 0
NO 5.203e-13
NO2 0
N2O 0
HNO 0
CN 0
HCN 6.058e-13
H2CN 0
HCNN 0
HCNO 0
HOCN 0
HNCO 8.839e-13
NCO 0
N2 1.155e-06
AR 0
C3H7 0
C3H8 0
CH2CHO 0
CH3CHO 0
Viscosity and thermal Cond vs. T
400 1.974e-05 0.06331
500 2.355e-05 0.07582
600 2.711e-05 0.08776
700 3.046e-05 0.09962
800 3.365e-05 0.1117
900 3.669e-05 0.1238
1000 3.962e-05 0.1353
1100 4.243e-05 0.1472
1200 4.515e-05 0.159
1300 4.779e-05 0.1706
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
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
Dump of the species fluxes:
H2 1.129e-06 -1.01e-06
H 1.674e-08 1.742e-08
O 1.019e-12 1.022e-12
O2 4.477e-13 4.383e-13
OH 3.4e-09 3.404e-09
H2O 1.748e-05 3.133e-05
HO2 0 0
H2O2 3.012e-15 2.942e-15
C 0 0
CH 0 0
CH2 0 0
CH2(S) 0 0
CH3 3.058e-14 3.051e-14
CH4 4.045e-12 4.034e-12
CO 4.233e-05 1.38e-05
CO2 -9.597e-06 -2.196e-05
HCO 1.193e-11 1.169e-11
CH2O 1.824e-11 1.785e-11
CH2OH 0 0
CH3O 0 0
CH3OH 1.695e-15 1.655e-15
C2H 0 0
C2H2 0 0
C2H3 0 0
C2H4 0 0
C2H5 0 0
C2H6 0 0
HCCO 0 0
CH2CO 0 0
HCCOH 0 0
N 3.683e-15 3.699e-15
NH 4.367e-14 4.391e-14
NH2 2.09e-12 2.099e-12
NH3 1.673e-09 1.672e-09
NNH 5.885e-14 5.759e-14
NO 8.948e-11 8.766e-11
NO2 0 0
N2O 4.017e-15 3.876e-15
HNO 1.177e-14 1.152e-14
CN 0 0
HCN 1.36e-10 1.335e-10
H2CN 0 0
HCNN 0 0
HCNO 0 0
HOCN 3.459e-14 3.34e-14
HNCO 5.554e-11 5.362e-11
NCO 5.347e-15 5.167e-15
N2 -5.136e-05 -2.217e-05
AR 0 0
C3H7 0 0
C3H8 0 0
CH2CHO 0 0
CH3CHO 0 0
sum in x direction = 0
sum in y direction = 0
Multicomponent Diffusion Coefficients H2 vs species
H2 - H2 0 0
H2 - H 0.02069 0.01737
H2 - O 0.001533 0.00493
H2 - O2 0.0007985 0.003254
H2 - OH 0.00145 0.004847
H2 - H2O 0.001364 0.003624
H2 - HO2 0.0007767 0.003236
H2 - H2O2 0.0007562 0.003216
H2 - C 0.001968 0.004561
H2 - CH 0.001851 0.005238
H2 - CH2 0.001682 0.003544
H2 - CH2(S) 0.001682 0.003544
H2 - CH3 0.001577 0.003473
H2 - CH4 0.001486 0.003463
H2 - CO 0.0008952 0.002547
H2 - CO2 0.0005901 0.002447
H2 - HCO 0.0008578 0.002769
H2 - CH2O 0.0008315 0.002748
H2 - CH2OH 0.0008056 0.002678
H2 - CH3O 0.0008056 0.002678
H2 - CH3OH 0.0007832 0.002693
H2 - C2H 0.0009755 0.002707
H2 - C2H2 0.0009407 0.002683
H2 - C2H3 0.0009085 0.00266
H2 - C2H4 0.0008795 0.002657
H2 - C2H5 0.0008455 0.002438
H2 - C2H6 0.0008194 0.00242
H2 - HCCO 0.0006691 0.004082
H2 - CH2CO 0.000607 0.002345
H2 - HCCOH 0.000607 0.002345
H2 - N 0.001707 0.004353
H2 - NH 0.00163 0.00519
H2 - NH2 0.001536 0.005081
H2 - NH3 0.001425 0.003834
H2 - NNH 0.0008653 0.00312
H2 - NO 0.0008421 0.003172
H2 - NO2 0.0005746 0.002845
H2 - N2O 0.000589 0.002575
H2 - HNO 0.0008196 0.003222
H2 - CN 0.0009535 0.003134
H2 - HCN 0.0009136 0.00274
H2 - H2CN 0.0008835 0.002718
H2 - HCNN 0.0006691 0.004082
H2 - HCNO 0.000601 0.002585
H2 - HOCN 0.000601 0.002585
H2 - HNCO 0.000601 0.002585
H2 - NCO 0.0006138 0.002596
H2 - N2 0.0008959 0.002178
H2 - AR 0.0006576 0.003173
H2 - C3H7 0.0005803 0.001893
H2 - C3H8 0.0005682 0.001885
H2 - CH2CHO 0.0005943 0.002336
H2 - CH3CHO 0.0005821 0.002326
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