Note
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Catalytic combustion of methane on platinum#
This script solves a catalytic combustion problem. A stagnation flow is set up, with a gas inlet 10 cm from a platinum surface at 900 K. The lean, premixed methane/air mixture enters at ~6 cm/s (0.06 kg/m2/s), and burns catalytically on the platinum surface. Gas-phase chemistry is included too, and has some effect very near the surface.
The catalytic combustion mechanism is from Deutschmann et al., 26th Symp. (Intl.) on Combustion,1996 pp. 1747-1754
Requires: cantera >= 3.0
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> inlet <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Mass Flux: 0.06 kg/m^2/s
Temperature: 300 K
Mass Fractions:
H2 0.003467
O2 0.2311
AR 0.01374
N2 0.7516
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> flame <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Pressure: 1.013e+05 Pa
-------------------------------------------------------------------------------
z velocity spread_rate T lambda eField
-------------------------------------------------------------------------------
0 0.05335 0 300 0 0
0.02 0.04268 0 420 0 0
0.04 0.03201 0 540 0 0
0.06 0.02134 0 660 0 0
0.08 0.01067 0 780 0 0
0.1 0 0 900 0 0
-------------------------------------------------------------------------------
z Uo H2 H O O2
-------------------------------------------------------------------------------
0 0 0.003467 0 0 0.2311
0.02 0 0.003467 0 0 0.2311
0.04 0 0.003467 0 0 0.2311
0.06 0 0.003467 0 0 0.2311
0.08 0 0.003467 0 0 0.2311
0.1 0 0.003467 0 0 0.2311
-------------------------------------------------------------------------------
z OH H2O HO2 H2O2 C
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z CH CH2 CH2(S) CH3 CH4
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z CO CO2 HCO CH2O CH2OH
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z CH3O CH3OH C2H C2H2 C2H3
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z C2H4 C2H5 C2H6 HCCO CH2CO
-------------------------------------------------------------------------------
0 0 0 0 0 0
0.02 0 0 0 0 0
0.04 0 0 0 0 0
0.06 0 0 0 0 0
0.08 0 0 0 0 0
0.1 0 0 0 0 0
-------------------------------------------------------------------------------
z HCCOH AR N2
-------------------------------------------------------------------------------
0 0 0.01374 0.7516
0.02 0 0.01374 0.7516
0.04 0 0.01374 0.7516
0.06 0 0.01374 0.7516
0.08 0 0.01374 0.7516
0.1 0 0.01374 0.7516
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Temperature: 900 K
Coverages:
PT(S) 0.4879
H(S) 4.738e-06
H2O(S) 2.755e-05
OH(S) 0.01028
CO(S) 0
CO2(S) 0
CH3(S) 0
CH2(S)s 0
CH(S) 0
C(S) 0
O(S) 0.5018
************ Solving on 6 point grid with energy equation enabled ************
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [6] point grid(s).
..............................................................................
grid refinement disabled.
******************** Solving with grid refinement enabled ********************
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [6] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 3 4
to resolve T spread_rate
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [8] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 5 6
to resolve spread_rate
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [10] point grid(s).
..............................................................................
no new points needed in flame
Multiplier = 1e-05
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [10] point grid(s).
..............................................................................
no new points needed in flame
Multiplier = 0.0001
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [10] point grid(s).
..............................................................................
no new points needed in flame
Multiplier = 0.001
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [10] point grid(s).
..............................................................................
no new points needed in flame
Multiplier = 0.01
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [10] point grid(s).
..............................................................................
no new points needed in flame
Multiplier = 0.1
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [10] point grid(s).
..............................................................................
no new points needed in flame
Multiplier = 1.0
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [10] point grid(s).
..............................................................................
no new points needed in flame
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> inlet <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Mass Flux: 0.06 kg/m^2/s
Temperature: 300 K
Mass Fractions:
H2 0.003467
O2 0.2311
AR 0.01374
N2 0.7516
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> flame <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Pressure: 1.013e+05 Pa
-------------------------------------------------------------------------------
z velocity spread_rate T lambda eField
-------------------------------------------------------------------------------
0 0.05335 4.314e-21 300 -0.4 0
0.02 0.05068 0.1333 300 -0.4 0
0.04 0.04268 0.2666 300 -0.4 0
0.06 0.02939 0.4001 300.6 -0.4 0
0.07 0.02105 0.4687 305.4 -0.4 0
0.08 0.013 0.5514 347.5 -0.4 0
0.085 0.009565 0.5931 426.2 -0.4 0
0.09 0.005933 0.577 569 -0.4 0
0.095 0.001988 0.3977 740.3 -0.4 0
0.1 -5.601e-93 0 900 -0.4 0
-------------------------------------------------------------------------------
z Uo H2 H O O2
-------------------------------------------------------------------------------
0 0 0.003467 1.141e-20 6.297e-20 0.2311
0.02 0 0.003467 6.206e-27 8.124e-21 0.2311
0.04 0 0.003462 1.328e-27 1.588e-21 0.2311
0.06 0 0.003399 4.023e-27 2.432e-20 0.2311
0.07 0 0.003197 1.331e-25 9.862e-19 0.2308
0.08 0 0.002515 7.173e-24 1.598e-17 0.2273
0.085 0 0.001917 8.256e-22 5.753e-17 0.2199
0.09 0 0.001239 2.849e-18 1.575e-15 0.2059
0.095 0 0.000594 1.554e-14 4.716e-13 0.1886
0.1 0 1.728e-05 2.758e-17 8.599e-16 0.1721
-------------------------------------------------------------------------------
z OH H2O HO2 H2O2 C
-------------------------------------------------------------------------------
0 6.64e-25 6.854e-10 7.063e-16 2.653e-16 -6.631e-20
0.02 1.191e-23 3.18e-08 3.583e-14 1.355e-14 -9.665e-28
0.04 2.319e-24 1.404e-06 1.614e-12 7.189e-13 -1.027e-35
0.06 2.745e-23 5.255e-05 5.913e-11 3.317e-11 1.797e-37
0.07 4.887e-22 0.0005515 5.581e-10 4.408e-10 1.505e-28
0.08 7.348e-21 0.005051 4.931e-09 4.843e-09 -3.125e-29
0.085 3.052e-19 0.01333 1.502e-08 1.349e-08 -1.483e-36
0.09 2.408e-16 0.0275 3.905e-08 2.793e-08 -3.917e-29
0.095 2.227e-12 0.04362 7.947e-08 4.071e-08 4.53e-27
0.1 1.912e-08 0.05837 7.971e-08 4.084e-08 6.801e-20
-------------------------------------------------------------------------------
z CH CH2 CH2(S) CH3 CH4
-------------------------------------------------------------------------------
0 5.56e-20 -5.541e-23 1.598e-38 -2.752e-22 1.1e-20
0.02 2.529e-28 1.905e-29 7.953e-37 3.524e-20 1.158e-20
0.04 1.791e-36 5.081e-36 -8.566e-41 4.205e-20 1.158e-20
0.06 5.526e-44 6.701e-38 -2.159e-41 4.148e-20 -1.899e-20
0.07 2.466e-43 -1.64e-35 -4.55e-42 3.543e-20 -3.333e-19
0.08 1.537e-34 -2.498e-33 -6.602e-39 1.237e-20 -3.253e-18
0.085 -7.023e-40 -6.077e-32 -4.52e-37 3.099e-21 -8.914e-18
0.09 -7.299e-35 -1.888e-30 -1.349e-34 2.335e-22 -1.932e-17
0.095 -4.182e-27 4.141e-27 2.096e-30 -3.687e-24 -3.198e-17
0.1 -8.195e-20 4.623e-27 2.11e-30 -2.073e-24 -4.397e-17
-------------------------------------------------------------------------------
z CO CO2 HCO CH2O CH2OH
-------------------------------------------------------------------------------
0 4.197e-22 2.121e-25 9.851e-29 4.416e-25 -9.537e-43
0.02 2.652e-21 1.409e-23 6.546e-27 2.959e-23 7.764e-45
0.04 1.027e-20 -4.66e-21 3.095e-34 2.198e-22 1.909e-41
0.06 3.117e-19 -2.463e-19 -3.238e-38 6.211e-21 8.885e-40
0.07 3.173e-18 -3.218e-18 -5.405e-36 3.321e-20 1.198e-38
0.08 2.235e-17 -2.822e-17 1.038e-33 1.043e-19 2.789e-37
0.085 2.628e-17 -2.897e-17 -1.714e-32 8.964e-20 1.175e-35
0.09 -2.714e-17 9.597e-17 6.289e-31 1.23e-20 1.077e-32
0.095 -1.317e-16 3.526e-16 -6.008e-26 -9.249e-20 -1.051e-29
0.1 -2.329e-16 6.081e-16 2.486e-26 -1.116e-19 2.122e-25
-------------------------------------------------------------------------------
z CH3O CH3OH C2H C2H2 C2H3
-------------------------------------------------------------------------------
0 5.499e-30 -2.358e-21 1.96e-20 -1.299e-21 -1.07e-26
0.02 3.712e-28 -2.358e-21 1.749e-28 -1.253e-21 3.681e-33
0.04 2.035e-26 -2.354e-21 1.32e-36 -1.253e-21 1.964e-38
0.06 7.341e-25 -2.222e-21 8.637e-45 -1.252e-21 1.794e-42
0.07 5.701e-24 -1.441e-21 6.021e-49 -1.239e-21 -2.517e-40
0.08 1.23e-23 2.977e-21 3.486e-46 -1.079e-21 -1.945e-37
0.085 4.38e-24 5.551e-21 1.853e-42 -6.866e-22 -3.362e-35
0.09 1.336e-25 6.25e-21 4.068e-36 1.648e-22 -6.082e-32
0.095 -6.755e-28 6.855e-21 -4.684e-30 1.301e-21 -3.349e-28
0.1 -1.01e-26 7.107e-21 2.037e-25 1.897e-21 -3.348e-28
-------------------------------------------------------------------------------
z C2H4 C2H5 C2H6 HCCO CH2CO
-------------------------------------------------------------------------------
0 -5.175e-21 -9.728e-34 -4.703e-22 -3.807e-41 1.736e-21
0.02 -5.175e-21 -6.829e-32 -3.328e-20 -1.956e-39 1.736e-21
0.04 -5.179e-21 -1.36e-32 -4.106e-20 8.164e-39 1.743e-21
0.06 -5.416e-21 -4.135e-33 -4.547e-20 3.725e-37 2.197e-21
0.07 -8.608e-21 -1.906e-32 -6.242e-20 4.633e-36 9.599e-21
0.08 -4.759e-20 -1.327e-31 -1.814e-19 -8.192e-36 1.214e-19
0.085 -1.406e-19 1.365e-30 -4.511e-19 -7.3e-33 4.592e-19
0.09 -3.357e-19 3.883e-28 -1.093e-18 -5.221e-30 1.312e-18
0.095 -5.914e-19 -4.388e-24 -2.007e-18 -1.318e-26 2.547e-18
0.1 -5.919e-19 -3.015e-19 -2.888e-18 -1.323e-26 3.732e-18
-------------------------------------------------------------------------------
z HCCOH AR N2
-------------------------------------------------------------------------------
0 9.65e-21 0.01374 0.7516
0.02 9.65e-21 0.01374 0.7516
0.04 9.65e-21 0.01374 0.7516
0.06 9.668e-21 0.01374 0.7517
0.07 9.914e-21 0.01374 0.7517
0.08 1.165e-20 0.01374 0.7514
0.085 6.099e-21 0.01373 0.7511
0.09 -3.049e-20 0.01374 0.7516
0.095 -9.934e-20 0.01378 0.7534
0.1 -1.594e-19 0.01382 0.7557
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Temperature: 900 K
Coverages:
PT(S) 0.08832
H(S) 1.352e-07
H2O(S) 1.677e-05
OH(S) 0.00567
CO(S) -1.091e-18
CO2(S) 1.324e-24
CH3(S) 4.281e-24
CH2(S)s 4.281e-24
CH(S) 4.281e-24
C(S) 1.416e-22
O(S) 0.906
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003844 log(ss)= -0.8978
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.01478 log(ss)= -0.9305
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.5682 log(ss)= 0.9062
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [10] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 0 1 2 3 4 5 6 7 8
to resolve AR C2H6 CH2O CH4 CO CO2 H2O N2 O2 OH T spread_rate velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [19] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 9 10 11 12 13 14 15 16 17
to resolve AR CH2O CH4 CO CO2 H2O N2 O2 OH T spread_rate velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [28] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 24 25 26
to resolve OH spread_rate velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [31] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 29
to resolve OH
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem.
Newton steady-state solve succeeded.
Problem solved on [32] point grid(s).
..............................................................................
no new points needed in flame
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> inlet <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Mass Flux: 0.06 kg/m^2/s
Temperature: 300 K
Mass Fractions:
O2 0.2204
CH4 0.04998
AR 0.0131
N2 0.7166
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> flame <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Pressure: 1.013e+05 Pa
-------------------------------------------------------------------------------
z velocity spread_rate T lambda eField
-------------------------------------------------------------------------------
0 0.05304 -4.814e-24 300 -0.3867 0
0.01 0.05239 0.06444 300 -0.3867 0
0.02 0.05046 0.1289 300 -0.3867 0
0.03 0.04724 0.1933 300 -0.3867 0
0.04 0.04273 0.2578 300 -0.3867 0
0.05 0.03693 0.3222 300 -0.3867 0
0.06 0.02984 0.3867 300 -0.3867 0
0.065 0.02582 0.4189 300.1 -0.3867 0
0.07 0.02149 0.4513 300.4 -0.3867 0
0.075 0.01693 0.4842 302.2 -0.3867 0
0.0775 0.01465 0.5017 305.6 -0.3867 0
0.08 0.01247 0.521 314.3 -0.3867 0
0.08125 0.01147 0.5318 322.7 -0.3867 0
0.0825 0.01056 0.5434 335.5 -0.3867 0
0.08375 0.009736 0.5556 354 -0.3867 0
0.085 0.008971 0.5673 378.9 -0.3867 0
0.08625 0.008228 0.5766 410.4 -0.3867 0
0.0875 0.007466 0.5813 447.9 -0.3867 0
0.08875 0.006649 0.5789 490.3 -0.3867 0
0.09 0.005765 0.5668 536 -0.3867 0
0.09125 0.004822 0.5433 583.7 -0.3867 0
0.0925 0.003848 0.5069 632.1 -0.3867 0
0.09375 0.002883 0.4567 680.2 -0.3867 0
0.095 0.001979 0.3925 727.3 -0.3867 0
0.09625 0.001186 0.3144 773 -0.3867 0
0.09688 0.0008485 0.2702 795.2 -0.3867 0
0.0975 0.0005586 0.2226 817 -0.3867 0
0.09813 0.0003229 0.1717 838.4 -0.3867 0
0.09875 0.0001473 0.1176 859.4 -0.3867 0
0.09938 3.774e-05 0.06034 879.9 -0.3867 0
0.09969 9.548e-06 0.03055 890 -0.3867 0
0.1 -7.152e-100 0 900 -0.3867 0
-------------------------------------------------------------------------------
z Uo H2 H O O2
-------------------------------------------------------------------------------
0 0 1.575e-18 3.561e-23 -5.4e-23 0.2204
0.01 0 1.227e-17 7.109e-29 -9.04e-22 0.2204
0.02 0 9.474e-17 -1.273e-34 -3.061e-22 0.2204
0.03 0 7.101e-16 -4.19e-31 -9.94e-23 0.2204
0.04 0 5.048e-15 4.121e-31 -3.03e-23 0.2204
0.05 0 3.312e-14 6.856e-32 -1.049e-23 0.2204
0.06 0 1.94e-13 -3.828e-30 -9.525e-23 0.2204
0.065 0 5.049e-13 1.374e-29 -1.547e-21 0.2203
0.07 0 1.329e-12 1.197e-28 -2.083e-20 0.2203
0.075 0 3.281e-12 1.041e-26 -2.538e-19 0.22
0.0775 0 5.032e-12 1.822e-25 -7.584e-19 0.2194
0.08 0 7.548e-12 2.967e-24 -8.271e-19 0.2177
0.08125 0 9.127e-12 1.178e-23 1.414e-18 0.216
0.0825 0 1.092e-11 4.443e-23 6.181e-18 0.2132
0.08375 0 1.291e-11 1.533e-22 1.167e-17 0.209
0.085 0 1.504e-11 4.963e-22 1.386e-17 0.2032
0.08625 0 1.726e-11 1.944e-21 1.192e-17 0.1957
0.0875 0 1.951e-11 1.719e-20 9.03e-18 0.1864
0.08875 0 2.176e-11 2.541e-19 9.524e-18 0.1757
0.09 0 2.397e-11 3.257e-18 3.247e-17 0.1638
0.09125 0 2.611e-11 3.059e-17 2.029e-16 0.1512
0.0925 0 2.818e-11 2.062e-16 1.188e-15 0.1382
0.09375 0 3.016e-11 1.007e-15 5.832e-15 0.1251
0.095 0 3.2e-11 3.716e-15 2.391e-14 0.1122
0.09625 0 3.339e-11 1.117e-14 8.436e-14 0.09946
0.09688 0 3.352e-11 1.867e-14 1.537e-13 0.09326
0.0975 0 3.296e-11 3.065e-14 2.748e-13 0.08715
0.09813 0 3.121e-11 5e-14 4.859e-13 0.08115
0.09875 0 2.735e-11 8.181e-14 8.569e-13 0.07525
0.09938 0 1.985e-11 1.351e-13 1.517e-12 0.06945
0.09969 0 1.373e-11 1.693e-13 1.956e-12 0.06659
0.1 0 5.607e-12 3.203e-15 3.804e-14 0.06376
-------------------------------------------------------------------------------
z OH H2O HO2 H2O2 C
-------------------------------------------------------------------------------
0 6.205e-21 1.356e-14 6.466e-22 1.955e-22 -1.998e-21
0.01 1.502e-24 3.307e-13 1.71e-20 5.64e-21 -6.448e-29
0.02 -1.902e-25 7.976e-12 3.375e-19 1.489e-19 -2.008e-36
0.03 -6.197e-26 1.858e-10 8.296e-18 3.848e-18 -5.869e-44
0.04 -1.818e-26 4.068e-09 1.939e-16 9.34e-17 8.891e-43
0.05 3.218e-25 8.112e-08 4.178e-15 2.036e-15 4.959e-34
0.06 1.232e-22 1.413e-06 7.904e-14 3.849e-14 -1.075e-34
0.065 8.367e-21 8.652e-06 5.183e-13 2.539e-13 4.985e-35
0.07 5.087e-19 5.707e-05 3.639e-12 1.831e-12 5.634e-35
0.075 2.186e-17 0.0003335 2.22e-11 1.185e-11 -5.206e-31
0.0775 1.372e-16 0.0008499 5.72e-11 3.298e-11 -3.385e-38
0.08 7.645e-16 0.002149 1.47e-10 9.145e-11 -2.312e-45
0.08125 1.703e-15 0.003384 2.35e-10 1.512e-10 -4.38e-40
0.0825 3.498e-15 0.005243 3.734e-10 2.453e-10 -3.229e-33
0.08375 6.422e-15 0.007865 5.81e-10 3.828e-10 2.834e-33
0.085 1.054e-14 0.01132 8.769e-10 5.683e-10 2.886e-31
0.08625 1.584e-14 0.01558 1.276e-09 8.004e-10 2.734e-31
0.0875 2.249e-14 0.02052 1.784e-09 1.072e-09 2.643e-32
0.08875 3.127e-14 0.02596 2.398e-09 1.372e-09 -1.387e-30
0.09 4.427e-14 0.03173 3.105e-09 1.689e-09 -3.278e-36
0.09125 6.775e-14 0.03764 3.891e-09 2.012e-09 8.934e-31
0.0925 1.213e-13 0.04356 4.74e-09 2.333e-09 -1.369e-36
0.09375 2.655e-13 0.04939 5.642e-09 2.642e-09 2.293e-31
0.095 6.787e-13 0.05507 6.59e-09 2.929e-09 -1.657e-30
0.09625 1.878e-12 0.06056 7.563e-09 3.187e-09 -4.758e-30
0.09688 3.204e-12 0.06322 8.057e-09 3.292e-09 -1.766e-35
0.0975 5.501e-12 0.06584 8.55e-09 3.376e-09 1.682e-30
0.09813 9.535e-12 0.0684 9.03e-09 3.434e-09 -6.598e-30
0.09875 1.676e-11 0.07091 9.468e-09 3.463e-09 -4.625e-29
0.09938 3.056e-11 0.07337 9.81e-09 3.467e-09 6.11e-32
0.09969 1.601e-10 0.07458 9.902e-09 3.465e-09 1.63e-27
0.1 1.749e-08 0.07579 9.9e-09 3.464e-09 2.72e-23
-------------------------------------------------------------------------------
z CH CH2 CH2(S) CH3 CH4
-------------------------------------------------------------------------------
0 1.17e-37 4.882e-22 5.356e-37 2.853e-20 0.04998
0.01 8.884e-46 3.215e-28 1.284e-35 6.992e-19 0.04998
0.02 -3.422e-47 2.037e-34 -2.594e-38 1.762e-18 0.04998
0.03 -1.363e-46 -6.665e-37 -3.077e-38 4.514e-18 0.04998
0.04 -1.754e-43 4.992e-36 2.304e-37 3.866e-17 0.04998
0.05 -7.853e-43 5.552e-35 2.563e-36 9.157e-16 0.04998
0.06 -1.854e-41 5.307e-33 2.457e-34 1.833e-14 0.04998
0.065 1.136e-41 1.201e-31 6.052e-33 1.897e-13 0.04998
0.07 -1.757e-40 4.687e-29 2.436e-30 1.655e-12 0.04995
0.075 -1.078e-37 1.47e-26 7.678e-28 1.216e-11 0.04984
0.0775 -1.196e-36 2.41e-25 1.268e-26 3.182e-11 0.04962
0.08 2.263e-37 3.457e-24 1.853e-25 8.231e-11 0.04909
0.08125 -4.29e-36 1.255e-23 6.832e-25 1.349e-10 0.04858
0.0825 -2.032e-37 4.161e-23 2.316e-24 2.201e-10 0.04781
0.08375 -3.384e-36 1.205e-22 6.882e-24 3.532e-10 0.04672
0.085 5.672e-35 3.038e-22 1.783e-23 5.563e-10 0.04524
0.08625 1.788e-34 6.862e-22 4.118e-23 8.628e-10 0.04339
0.0875 -8.562e-35 1.447e-21 8.787e-23 1.322e-09 0.04118
0.08875 7.678e-35 2.983e-21 1.804e-22 2.002e-09 0.03868
0.09 -6.892e-35 6.336e-21 3.746e-22 3.006e-09 0.03596
0.09125 -2.198e-35 1.493e-20 8.444e-22 4.482e-09 0.03309
0.0925 2.789e-33 4.247e-20 2.252e-21 6.668e-09 0.03016
0.09375 6.02e-32 1.501e-19 7.349e-21 9.961e-09 0.02722
0.095 1.125e-30 6.237e-19 2.795e-20 1.507e-08 0.02431
0.09625 1.824e-29 2.86e-18 1.165e-19 2.332e-08 0.02146
0.09688 7.389e-29 6.426e-18 2.49e-19 2.967e-08 0.02006
0.0975 2.996e-28 1.472e-17 5.412e-19 3.813e-08 0.01869
0.09813 1.242e-27 3.462e-17 1.205e-18 4.971e-08 0.01734
0.09875 5.363e-27 8.444e-17 2.778e-18 6.606e-08 0.016
0.09938 2.507e-26 2.198e-16 6.814e-18 9e-08 0.01469
0.09969 2.446e-25 1.291e-15 3.98e-17 1.067e-07 0.01405
0.1 -3.434e-23 1.29e-15 3.979e-17 1.066e-07 0.0134
-------------------------------------------------------------------------------
z CO CO2 HCO CH2O CH2OH
-------------------------------------------------------------------------------
0 3.725e-19 2.25e-16 3.491e-30 2.201e-21 -1.574e-46
0.01 9.875e-18 7.764e-15 1.208e-28 7.679e-20 -5.529e-45
0.02 2.589e-16 2.648e-13 5.58e-35 2.569e-18 -1.67e-44
0.03 6.553e-15 8.717e-12 -4.429e-41 8.543e-17 -8.742e-44
0.04 1.559e-13 2.694e-10 2.201e-37 2.67e-15 6.447e-42
0.05 3.373e-12 7.566e-09 1.541e-34 7.582e-14 5.24e-39
0.06 6.374e-11 1.851e-07 7.771e-32 1.875e-12 3.497e-36
0.065 4.188e-10 1.529e-06 7.535e-30 1.564e-11 7.603e-34
0.07 2.976e-09 1.382e-05 1.063e-27 1.429e-10 3.212e-31
0.075 1.869e-08 0.0001091 2.165e-25 1.139e-09 1.071e-28
0.0775 5.007e-08 0.000344 3.969e-24 3.614e-09 2.131e-27
0.08 1.339e-07 0.001094 6.872e-23 1.156e-08 3.759e-26
0.08125 2.18e-07 0.001963 2.752e-22 2.079e-08 1.487e-25
0.0825 3.502e-07 0.003486 1.019e-21 3.696e-08 5.347e-25
0.08375 5.455e-07 0.005963 3.347e-21 6.319e-08 1.662e-24
0.085 8.154e-07 0.009689 9.949e-21 1.024e-07 4.507e-24
0.08625 1.165e-06 0.01487 2.903e-20 1.565e-07 1.139e-23
0.0875 1.589e-06 0.02156 9.201e-20 2.255e-07 3.083e-23
0.08875 2.079e-06 0.02965 3.271e-19 3.08e-07 1.061e-22
0.09 2.619e-06 0.03891 1.225e-18 4.01e-07 4.733e-22
0.09125 3.191e-06 0.04904 4.489e-18 5.011e-07 2.34e-21
0.0925 3.781e-06 0.05971 1.553e-17 6.049e-07 1.109e-20
0.09375 4.377e-06 0.07065 5.073e-17 7.092e-07 4.712e-20
0.095 4.967e-06 0.08163 1.589e-16 8.111e-07 1.763e-19
0.09625 5.545e-06 0.09247 4.858e-16 9.074e-07 5.896e-19
0.09688 5.828e-06 0.0978 8.507e-16 9.516e-07 1.051e-18
0.0975 6.107e-06 0.1031 1.483e-15 9.923e-07 1.853e-18
0.09813 6.381e-06 0.1082 2.581e-15 1.028e-06 3.275e-18
0.09875 6.651e-06 0.1133 4.492e-15 1.057e-06 5.9e-18
0.09938 6.916e-06 0.1184 7.866e-15 1.076e-06 1.119e-17
0.09969 7.047e-06 0.1208 1.463e-14 1.08e-06 3.425e-17
0.1 7.177e-06 0.1233 1.463e-14 1.08e-06 3.425e-17
-------------------------------------------------------------------------------
z CH3O CH3OH C2H C2H2 C2H3
-------------------------------------------------------------------------------
0 1.307e-34 1.171e-22 -7.371e-22 -5.601e-23 1.929e-21
0.01 4.595e-33 3.55e-22 -1.442e-29 -4.083e-23 4.413e-28
0.02 1.907e-31 8.702e-21 -2.721e-37 -4.021e-23 9.735e-35
0.03 1.205e-29 2.911e-19 -4.809e-45 -2.107e-23 2.017e-41
0.04 2.429e-27 9.256e-18 -7.706e-53 5.385e-22 7.63e-42
0.05 1.236e-24 2.675e-16 3.771e-55 1.539e-20 4.982e-39
0.06 4.663e-22 6.731e-15 -7.262e-52 3.579e-19 2.438e-36
0.065 3.17e-20 5.702e-14 9.409e-49 2.82e-18 2.129e-34
0.07 1.937e-18 5.293e-13 1.131e-45 2.426e-17 2.116e-32
0.075 8.578e-17 4.286e-12 8.535e-43 1.826e-16 2.746e-30
0.0775 5.688e-16 1.376e-11 2.398e-41 5.563e-16 4.622e-29
0.08 3.615e-15 4.457e-11 6.532e-40 1.705e-15 8.905e-28
0.08125 9.052e-15 8.076e-11 2.204e-39 2.996e-15 4.194e-27
0.0825 2.181e-14 1.447e-10 -1.881e-38 5.205e-15 2.012e-26
0.08375 4.867e-14 2.493e-10 -7.603e-37 8.722e-15 9.511e-26
0.085 9.853e-14 4.07e-10 -1.659e-35 1.391e-14 4.485e-25
0.08625 1.797e-13 6.259e-10 -2.921e-34 2.1e-14 2.204e-24
0.0875 2.973e-13 9.075e-10 -4.212e-33 3.004e-14 1.161e-23
0.08875 4.529e-13 1.246e-09 -4.855e-32 4.083e-14 6.327e-23
0.09 6.466e-13 1.63e-09 -4.408e-31 5.305e-14 3.327e-22
0.09125 8.734e-13 2.045e-09 -3.162e-30 6.63e-14 1.602e-21
0.0925 1.109e-12 2.475e-09 -1.818e-29 8.015e-14 6.942e-21
0.09375 1.306e-12 2.903e-09 -8.506e-29 9.425e-14 2.724e-20
0.095 1.438e-12 3.311e-09 -3.252e-28 1.082e-13 9.875e-20
0.09625 1.546e-12 3.683e-09 -9.815e-28 1.218e-13 3.391e-19
0.09688 1.636e-12 3.848e-09 -1.475e-27 1.282e-13 6.27e-19
0.0975 1.76e-12 3.997e-09 -1.777e-27 1.343e-13 1.155e-18
0.09813 1.938e-12 4.126e-09 -7.182e-28 1.399e-13 2.132e-18
0.09875 2.196e-12 4.23e-09 5.757e-27 1.446e-13 3.964e-18
0.09938 2.57e-12 4.302e-09 3.3e-26 1.482e-13 7.489e-18
0.09969 2.822e-12 4.322e-09 4.411e-25 1.491e-13 1.608e-17
0.1 2.822e-12 4.321e-09 9.621e-25 1.491e-13 1.608e-17
-------------------------------------------------------------------------------
z C2H4 C2H5 C2H6 HCCO CH2CO
-------------------------------------------------------------------------------
0 -9.06e-23 -7.916e-32 -1.653e-20 1.229e-44 -1.044e-27
0.01 3.739e-22 -2.887e-30 -6.308e-19 2.692e-43 -9.664e-28
0.02 1.594e-20 -4.223e-30 5.333e-20 1.082e-43 2.116e-27
0.03 5.191e-19 -5.007e-30 5.764e-17 2.039e-43 1.205e-25
0.04 1.577e-17 3.749e-29 1.989e-15 1.569e-42 4.383e-24
0.05 4.355e-16 4.174e-28 5.927e-14 8.672e-42 1.436e-22
0.06 1.047e-14 3.892e-26 1.539e-12 1.469e-42 4.094e-21
0.065 8.52e-14 2.415e-25 1.333e-11 9.313e-40 3.882e-20
0.07 7.581e-13 1.703e-24 1.272e-10 5.86e-37 4.055e-19
0.075 5.894e-12 2.196e-23 1.058e-09 2.272e-34 3.676e-18
0.0775 1.838e-11 4.426e-22 3.477e-09 5.089e-33 1.285e-17
0.08 5.772e-11 7.637e-21 1.156e-08 1.078e-31 4.556e-17
0.08125 1.028e-10 2.941e-20 2.127e-08 4.935e-31 8.715e-17
0.0825 1.811e-10 1.016e-19 3.88e-08 2.135e-30 1.653e-16
0.08375 3.074e-10 2.983e-19 6.805e-08 8.186e-30 3.006e-16
0.085 4.956e-10 7.504e-19 1.13e-07 2.719e-29 5.152e-16
0.08625 7.55e-10 1.721e-18 1.768e-07 7.874e-29 8.273e-16
0.0875 1.087e-09 4.009e-18 2.603e-07 2.034e-28 1.245e-15
0.08875 1.486e-09 1.06e-17 3.624e-07 4.835e-28 1.764e-15
0.09 1.939e-09 3.258e-17 4.8e-07 9.294e-28 2.37e-15
0.09125 2.43e-09 1.084e-16 6.088e-07 2.064e-27 3.041e-15
0.0925 2.945e-09 3.626e-16 7.442e-07 1.63e-27 3.755e-15
0.09375 3.468e-09 1.184e-15 8.815e-07 -2.863e-26 4.49e-15
0.095 3.989e-09 3.777e-15 1.017e-06 -2.543e-25 5.228e-15
0.09625 4.494e-09 1.2e-14 1.145e-06 -1.253e-24 5.956e-15
0.09688 4.735e-09 2.184e-14 1.205e-06 -2.401e-24 6.311e-15
0.0975 4.963e-09 4.015e-14 1.26e-06 -4.196e-24 6.657e-15
0.09813 5.174e-09 7.52e-14 1.31e-06 -6.491e-24 6.99e-15
0.09875 5.358e-09 1.448e-13 1.351e-06 -7.79e-24 7.3e-15
0.09938 5.496e-09 2.924e-13 1.38e-06 5.168e-25 7.563e-15
0.09969 5.534e-09 5.99e-13 1.387e-06 9.064e-23 7.657e-15
0.1 5.532e-09 5.989e-13 1.386e-06 9.062e-23 7.656e-15
-------------------------------------------------------------------------------
z HCCOH AR N2
-------------------------------------------------------------------------------
0 1.031e-29 0.0131 0.7166
0.01 1.031e-29 0.0131 0.7166
0.02 1.036e-29 0.0131 0.7166
0.03 1.209e-29 0.0131 0.7166
0.04 7.436e-29 0.0131 0.7166
0.05 2.109e-27 0.0131 0.7166
0.06 5.982e-26 0.0131 0.7166
0.065 5.672e-25 0.0131 0.7166
0.07 5.925e-24 0.0131 0.7166
0.075 5.371e-23 0.0131 0.7166
0.0775 1.877e-22 0.0131 0.7167
0.08 6.66e-22 0.01311 0.7169
0.08125 1.274e-21 0.01311 0.717
0.0825 2.416e-21 0.01311 0.7172
0.08375 4.394e-21 0.01311 0.7173
0.085 7.533e-21 0.01312 0.7174
0.08625 1.21e-20 0.01312 0.7174
0.0875 1.82e-20 0.01311 0.7172
0.08875 2.58e-20 0.01311 0.7169
0.09 3.465e-20 0.0131 0.7165
0.09125 4.447e-20 0.01309 0.7159
0.0925 5.491e-20 0.01308 0.7153
0.09375 6.566e-20 0.01306 0.7145
0.095 7.646e-20 0.01305 0.7138
0.09625 8.713e-20 0.01304 0.713
0.09688 9.237e-20 0.01303 0.7126
0.0975 9.752e-20 0.01302 0.7122
0.09813 1.026e-19 0.01302 0.7119
0.09875 1.074e-19 0.01301 0.7115
0.09938 1.12e-19 0.013 0.7111
0.09969 1.14e-19 0.013 0.7109
0.1 1.14e-19 0.013 0.7108
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Temperature: 900 K
Coverages:
PT(S) 0.1251
H(S) 2.668e-07
H2O(S) 3.12e-05
OH(S) 0.007566
CO(S) 3.863e-05
CO2(S) 4.183e-10
CH3(S) 3.124e-09
CH2(S)s 3.124e-09
CH(S) 3.124e-09
C(S) 1.373e-07
O(S) 0.8673
Statistics:
Grid Timesteps Functions Time Jacobians Time
8 0 84 NA 1 NA
10 0 6 NA 1 NA
12 0 6 NA 1 NA
12 0 12 NA 1 NA
12 0 6 NA 1 NA
12 0 10 NA 1 NA
12 0 18 NA 1 NA
12 0 14 NA 1 NA
12 0 6 NA 1 NA
12 30 255 NA 11 NA
21 0 36 NA 2 NA
30 0 27 NA 2 NA
33 0 14 NA 2 NA
34 0 14 NA 2 NA
import numpy as np
import cantera as ct
# Parameter values are collected here to make it easier to modify them
p = ct.one_atm # pressure
tinlet = 300.0 # inlet temperature
tsurf = 900.0 # surface temperature
mdot = 0.06 # kg/m^2/s
transport = 'mixture-averaged' # transport model
# We will solve first for a hydrogen/air case to use as the initial estimate
# for the methane/air case
# composition of the inlet premixed gas for the hydrogen/air case
comp1 = 'H2:0.05, O2:0.21, N2:0.78, AR:0.01'
# composition of the inlet premixed gas for the methane/air case
comp2 = 'CH4:0.095, O2:0.21, N2:0.78, AR:0.01'
# The inlet/surface separation is 10 cm.
width = 0.1 # m
loglevel = 1 # amount of diagnostic output (0 to 5)
################ create the phase objects ##################
#
# The 'surf_phase' object will be used to evaluate all surface chemical production
# rates. It will be created from the interface definition 'Pt_surf' in input file
# 'ptcombust.yaml,' which implements the reaction mechanism of Deutschmann et
# al., 1995 for catalytic combustion on platinum.
#
# This phase definition also references the phase 'gas' in the same input file,
# which will be created and used to evaluate all thermodynamic, kinetic, and
# transport properties. It is a stripped-down version of GRI-Mech 3.0.
surf_phase = ct.Interface("ptcombust.yaml", "Pt_surf")
surf_phase.TP = tsurf, p
gas = surf_phase.adjacent["gas"]
gas.TPX = tinlet, p, comp1
# integrate the coverage equations in time for 1 s, holding the gas
# composition fixed to generate a good starting estimate for the coverages.
surf_phase.advance_coverages(1.0)
# create the object that simulates the stagnation flow, and specify an initial
# grid
sim = ct.ImpingingJet(gas=gas, width=width, surface=surf_phase)
# Objects of class ImpingingJet have members that represent the gas inlet
# ('inlet') and the surface ('surface'). Set some parameters of these objects.
sim.inlet.mdot = mdot
sim.inlet.T = tinlet
sim.inlet.X = comp1
sim.surface.T = tsurf
# Show the initial solution estimate
sim.show()
# Solving problems with stiff chemistry coupled to flow can require a
# sequential approach where solutions are first obtained for simpler problems
# and used as the initial guess for more difficult problems.
# disable the surface coverage equations, and turn off all gas and surface
# chemistry.
sim.surface.coverage_enabled = False
surf_phase.set_multiplier(0.0)
gas.set_multiplier(0.0)
# solve the problem, refining the grid if needed, to determine the non-
# reacting velocity and temperature distributions
sim.solve(loglevel, auto=True)
# now turn on the surface coverage equations, and turn the chemistry on slowly
sim.surface.coverage_enabled = True
for mult in np.logspace(-5, 0, 6):
surf_phase.set_multiplier(mult)
gas.set_multiplier(mult)
print('Multiplier =', mult)
sim.solve(loglevel)
# At this point, we should have the solution for the hydrogen/air problem.
sim.show()
# Now switch the inlet to the methane/air composition.
sim.inlet.X = comp2
# set more stringent grid refinement criteria
sim.set_refine_criteria(100.0, 0.15, 0.2, 0.0)
# solve the problem for the final time
sim.solve(loglevel)
# show the solution
sim.show()
# save the full solution to HDF or YAML container files. The 'restore' method can be
# used to restore or restart a simulation from a solution stored in this form.
if "native" in ct.hdf_support():
filename = "catalytic_combustion.h5"
else:
filename = "catalytic_combustion.yaml"
sim.save(filename, "soln1", description="catalytic combustion example")
# save selected solution components in a CSV file for plotting in Excel or MATLAB.
sim.save('catalytic_combustion.csv', basis="mole", overwrite=True)
sim.show_stats(0)
Total running time of the script: (0 minutes 1.048 seconds)