We distinguish between model validation and model test. Validation refers to tests against experimental data in which the model prediction uncertainty is given; whereas test means only a nomial prediction is compared to the data. Validations are made against the set of experimental data from which the target values are extracted. Tests are made for a wider range of combustion data not considered in the target set. This page documents the validation results.

Validation Results

Model predictions and their associated uncertainties are tabulated and plotted. Click on each entry to view detailed target descriptions and validation plots. Uncertainty bands shown are generated from 200 random models sampled from the covariance matrix of the optimized model parameters. Small differerences may be observed between tabulated uncertainty values and plotted uncertainty values. The tabulated values are estimated from response surfaces of the most influential reactions, while random sampling perturbed the rate parameters of all 149 reactions. In flame speed validation plots, nominal prediction and uncertainty bound curves used spline interpolation.

Name T (K) p (atm) Composition
fls_1a 298 1 H2/Air, ϕ=1.0
fls_1b 298 1 H2/Air, ϕ=3.0
fls_2a 298 1 H2/O2/He, [O2]/[O2+ He]=0.125, ϕ=1.0
fls_2b 298 1 H2/O2/He, [O2]/[O2+ He]=0.125, ϕ=2.25
fls_3a 298 15 H2/O2/He, [O2]/[O2+ He]=0.08, ϕ=1.0
fls_3b 298 15 H2/O2/He, [O2]/[O2+ He]=0.08, ϕ=1.75
fls_4a 295 1 0.1197 H2/0.0704 O2/0.8099 He
fls_4b 295 15 0.1197 H2/0.0704 O2/0.8099 He
fls_4c 295 25 0.1197 H2/0.0704 O2/0.8099 He
fls_5a 295 1 0.1183 H2/0.0592 O2/0.8225 He
fls_5b 295 20 0.1183 H2/0.0592 O2/0.8225 He
fls_6a 295 10 0.1282 H2/0.0641 O2/0.8077 He
fls_6b 295 25 0.1282 H2/0.0641 O2/0.8077 He
fls_7a 295 10 0.1379 H2/0.069 O2/0.7931 He
fls_7b 295 20 0.1379 H2/0.069 O2/0.7931 He
fls_8a 295 1 0.2941 H2/0.0588 O2/0.6471 Ar
fls_8b 295 20 0.2941 H2/0.0588 O2/0.6471 Ar
fls_9a 295 1 0.3221 H2/0.0644 O2/0.6134 Ar
fls_9b 295 25 0.3221 H2/0.0644 O2/0.6134 Ar
fls_10a 295 1 0.3521 H2/0.0704 O2/0.5775 Ar
fls_10b 295 25 0.3521 H2/0.0704 O2/0.5775 Ar
fls_11a 393 1 0.10950 H2/0.06441 O2/He
fls_11b 393 10 0.10950 H2/0.06441 O2/He
fls_12a 393 2 0.11490 H2/0.06759 O2/0.05 H2O/He
fls_12b 393 6 0.11490 H2/0.06759 O2/0.05 H2O/He
fls_12c 393 10 0.11490 H2/0.06759 O2/0.05 H2O/He
fls_13a 393 1 0.12567 H2/0.07392 O2/0.15 H2O/He
fls_13b 393 4 0.12567 H2/0.07392 O2/0.15 H2O/He
fls_14a 295 1 0.5182 H2/0.1036 O2/0.3782 CO2
fls_15a 295 1 0.5495 H2/0.1099 O2/0.3406 CO2
fls_16a 295 1 0.578 H2/0.1156 O2/0.3064 CO2
fls_16b 295 25 0.578 H2/0.1156 O2/0.3064 CO2
fls_17a 295 1 0.6061 H2/0.1212 O2/0.2727 CO2
fls_17b 295 10 0.6061 H2/0.1212 O2/0.2727 CO2
fls_17c 295 25 0.6061 H2/0.1212 O2/0.2727 CO2
fls_18a 393 6 0.05175 H2/0.05175 CO/0.06088 O2/He
fls_19a 393 1 0.05430 H2/0.05430 CO/0.06388 O2/0.05 H2O/He
fls_19b 393 6 0.05430 H2/0.05430 CO/0.06388 O2/0.05 H2O/He
fls_19c 393 10 0.05430 H2/0.05430 CO/0.06388 O2/0.05 H2O/He
fls_20a 393 1 0.05939 H2/0.05939 CO/0.06988 O2/0.15 H2O/He
fls_20b 393 4 0.05939 H2/0.05939 CO/0.06988 O2/0.15 H2O/He
fls_21a 300 1 95% CO/5% H2/Air, ϕ=1.148
fls_21b 300 1 95% CO/5% H2/Air, ϕ=3.895
fls_22a 300 1 50% CO/50% H2/Air, ϕ=1.0
fls_22b 300 1 50% CO/50% H2/Air, ϕ=3.05
fls_23a 300 1 50% CO/50% H2/Air, ϕ=1.69
fls_24a 298 1 (% X CO+% X H2)=0.17/air, H2/(H2+ CO+air)=0.0085, ϕ = 0.5
fls_24b 298 1 (% X CO+% X H2)=0.17/air, H2/(CO+ H2+air)=0.0495, ϕ = 0.5
fls_25a 295 1 0.1557 H2/0.1557 CO/0.0623 O2/0.6264 Ar
fls_25b 295 15 0.1557 H2/0.1557 CO/0.0623 O2/0.6264 Ar
fls_25c 295 25 0.1557 H2/0.1557 CO/0.0623 O2/0.6264 Ar
fls_26a 295 1 0.0295 H2/0.2655 CO/0.059 O2/0.646 Ar
fls_26b 295 25 0.0295 H2/0.2655 CO/0.059 O2/0.646 Ar
fls_27a 298 1 CH4/air, ϕ=0.7
fls_27b 298 1 CH4/air, ϕ=1.0
fls_27c 298 1 CH4/air, ϕ=1.3
fls_28a 298 2 CH4/air, ϕ=0.7
fls_28b 298 2 CH4/air, ϕ=1.0
fls_28c 298 2 CH4/air, ϕ=1.3
fls_29a 300 5 CH4/air, ϕ=0.7
fls_29b 300 5 CH4/air, ϕ=1.0
fls_29c 300 5 CH4/air, ϕ=1.3
fls_30a 300 10 CH4/air, ϕ=0.8
fls_30b 300 10 CH4/air, ϕ=1.0
fls_30c 300 10 CH4/air, ϕ=1.3
fls_31a 300 20 CH4/air, ϕ=1.0
fls_32a 300 40 CH4/17% O2/83% He, ϕ=1.0
fls_32b 300 60 CH4/15% O2/85% He, ϕ=1.0
fls_33a 298 1 C2H6/air, ϕ=0.75
fls_33b 298 1 C2H6/air, ϕ=1.0
fls_33c 298 1 C2H6/air, ϕ=1.3
fls_34a 353 5 0.5354 H2/0.1071 O2/0.3575 CO2
fls_34b 353 15 0.5354 H2/0.1071 O2/0.3575 CO2
fls_34c 353 20 0.5354 H2/0.1071 O2/0.3575 CO2
fls_34d 353 25 0.5354 H2/0.1071 O2/0.3575 CO2
fls_35a 298 1 H2/O2/N2, O2/(O2+N2)=0.077, ϕ=1.5
fls_36a 298 1 H2/O2/N2, O2/(O2+N2)=0.1077, ϕ=0.9
fls_37a 298 40 (95% CO+5% H2)/(O2+7 He), ϕ=3
ign_3a t to [CO2] onset 2160 1.492 12.17% CO/0.05% H2/1% O2/86.78% Ar
ign_3b t to [CO2] onset 2625 1.949 12.17% CO/0.05% H2/1% O2/86.78% Ar
ign_4a t to dp/dt|max 1500 2.04 9.1% CH4/18.2% O2/72.7% Ar
ign_4b t to dp/dt|max 1700 2.04 9.1% CH4/18.2% O2/72.7% Ar
ign_5a t to d[OH*]/dt|max 1600 3.8 33.3% CH4/13.3% O2/53.4% Ar
ign_6a t to dp/dt|max 1530 1.6 4.8% CH4/19.1% O2/76.1% Ar
ign_6b t to dp/dt|max 1845 1.96 4.8% CH4/19.1% O2/76.1% Ar
ign_7a t to dp/dt|max 1408 34.6 3.4% CH4/6.7% O2/89.9% Ar
ign_7b t to dp/dt|max 1706 83.9 0.28% CH4/0.56% O2/99.16% Ar
ign_8a t to dp/dt|max 1356 6.1 3.29% CH4/0.21% C2H6/7% O2/89.5% Ar
ign_8b t to dp/dt|max 1688 7.6 3.29% CH4/0.21% C2H6/7% O2/89.5% Ar
stm_1a t to d[OH]/dt|max 1754 33 0.5% H2/0.25% O2/99.25% Ar/80 ppb H
stm_2a t to d[OH]/dt|max 1189 33 2% H2/1% O2/97% Ar/80 ppb H
stm_2b t to d[OH]/dt|max 1300 33 2% H2/1% O2/97% Ar/80 ppb H
stm_3a t to d[OH]/dt|max 1524 64 0.1% H2/0.05% O2/99.85% Ar/80 ppb H
stm_5a t to [OH]|72μs/2 2898 1.98 1.10% H2/0.208% O2/Ar
stm_6a t to ½ of [H2O] rise 1192 1.95 2216ppm H2O2/1364ppm H2O/682ppm O2/Ar
stm_6b t to [OH]max 1192 1.95 2216ppm H2O2/1364ppm H2O/682ppm O2/Ar
stm_6c t to [OH]max/2 1192 1.95 2216ppm H2O2/1364ppm H2O/682ppm O2/Ar
stm_7a t to ½ of [H2O] rise 1398 1.91 2540ppm H2O2/1234ppm H2O/617ppm O2/Ar
stm_7b t to [OH]max 1398 1.91 2540ppm H2O2/1234ppm H2O/617ppm O2/Ar
stm_7c t to [OH]max/2 1398 1.91 2540ppm H2O2/1234ppm H2O/617ppm O2/Ar
stm_8a t to [CH3]max 2000 1 994ppm CH4/0.2021% O2/99.7% Ar
stm_8b t to [CH3]max 2400 1 994ppm CH4/0.2021% O2/99.7% Ar
stm_9a t to [CH3]max 2264 1.02 0.2012% CH4/0.10% O2/99.7% Ar
stm_10b t to [CH3]max 1932 1 0.1% CH4/0.4% O2/99.5% Ar
stm_10a t to [CH3]max 2454 1 0.1% CH4/0.4% O2/99.5% Ar
stm_11a t to [OH]max/2 2000 1 0.1% CH4/0.2% O2/99.7% Ar
stm_11b t to [OH]max/2 2200 1 0.1% CH4/0.2% O2/99.7% Ar
stm_12a t to [OH]max/2 1750 1.51 0.4% CH4/20% O2/79.6% Ar
stm_12b t to [CO]max/2 1750 1.51 0.4% CH4/20% O2/79.6% Ar
stm_12c t to [OH]max/2 1900 1.64 0.4% CH4/20% O2/79.6% Ar
stm_12d t to [CO]max/2 1900 1.64 0.4% CH4/20% O2/79.6% Ar
stm_13a t to [OH]max/2 1750 1.51 1% CH4/3% O2/96% Ar
stm_13b t to [CO]max/2 1750 1.51 1% CH4/3% O2/96% Ar
stm_13c t to [OH]max/2 1900 1.64 1% CH4/3% O2/96% Ar
stm_13d t to [CO]max/2 1900 1.64 1% CH4/3% O2/96% Ar
stm_14a t to [OH]max/2 1865 2.45 1% CH4/1.5% O2/97.5% Ar
stm_14b t to [CO]max/2 1865 2.45 1% CH4/1.5% O2/97.5% Ar
stm_15a t to [CO]max/2 2124 1.17 1.46% CH2O/98.54% Ar
stm_16a t to [CO]max/2 1724 1.51 1.97% CH2O/98.03% Ar
stm_17a t to [CO]max/2 1784 2.32 1.47% CH2O/0.25% O2/98.28% Ar
stm_18a t to [CO]max/2 1442 1.89 0.49% CH2O/1.98% O2/97.53% Ar
stm_19a t to [CO]max/2 1768 0.911 1.0% CH2O/5.96% O2/93.02% Ar
stm_20a t to [CO]max/2 1515 2 1.0% CH2O/0.6% O2/98.4% Ar
stm_21a t to [CO]max/2 1720 1.51 1.5% CH2O/1.5% O2/97% Ar
stm_22a t to [CH2O]max/2 1256 1.55 4% CH2O/1% O2/95% Ar
stm_22b t to [CH2O]max/2 1591 2.31 4% CH2O/1% O2/95% Ar
stm_23a t to [CH2O]max/2 1419 1.81 2% CH2O/1% O2/97% Ar
stm_24a t to [CH3]max 1794 1.17 295ppm C2H6/0.1055% % O2/99.865% Ar
stm_25a t to [CH3]max 1684 1.35 C2H6-Ar(206ppm)
stm_26a t to [OH]max/2 1817 1.21 300ppm C2H6/0.105% O2/99.865% Ar
pro_1a [OH]max 1192 1.95 2216ppm H2O2/1364ppm H2O/682ppm O2/Ar
pro_2a [OH]max 1398 1.91 2540ppm H2O2/1234ppm H2O/617ppm O2/Ar
pro_3a [CH3]max 2000 1 994ppm CH4/0.2021% O2/99.6985% Ar
pro_3b [CH3]max 2400 1 994ppm CH4/0.2021% O2/99.6985% Ar
pro_4a [CH3]max 2264 1.02 0.2012% CH4/0.1% O2/99.7%Ar
pro_5a [CO]max 1750 1.51 0.4% CH4/20% O2/79.6% Ar
pro_5b [CO]max 1900 1.64 0.4% CH4/20% O2/79.6% Ar
pro_6a [CO]max 1750 1.51 1% CH4/3% O2/96% Ar
pro_6b [CO]max 1900 1.64 1% CH4/3% O2/96% Ar
pro_7a [CO]max 1865 2.45 1% CH4/1.5% O2/97.5% Ar
pro_8a [CH3]max 1794 1.17 295ppm C2H6/0.1055% O2/99.865% Ar
pro_9a [CH3]max 1684 1.35 206ppm C2H6/Ar
flw_1a t to [H2]max/2 914 15.7 1.18% H2/0.61% O2/98.21% N2
flw_2a t to [H2]max/2 914 6.5 1.36% H2/2.24% O2/96.4% N2
flw_3a t to [H2]max/2 896 0.6 0.5% H2/0.76% O2/98.74% N2
flw_4a t to [H2]max/2 880 0.3 0.5% H2/0.5% O2/99% N2