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, matplotlib >= 2.0
import numpy as np
import matplotlib.pyplot as plt
import cantera as ct
Problem Definition#
Parameter values are collected here to make it easier to modify them
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 holding the gas composition fixed to generate a good
# starting estimate for the coverages.
surf_phase.coverages = {'PT(S)': 0.5, 'O(S)':0.5}
surf_phase.advance_coverages_to_steady_state()
# 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()
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 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 spreadRate 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) 0.488
H(S) 2.165e-06
H2O(S) 9.184e-06
OH(S) 0.005961
CO(S) -7.453e-43
CO2(S) 6.004e-49
CH3(S) 0
CH2(S)s 0
CH(S) 0
C(S) -1.976e-43
O(S) 0.506
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
************ 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 spreadRate
##############################################################################
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 spreadRate
##############################################################################
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
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)
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 failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005767 log(ss)= -0.1068
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.02217 log(ss)= -0.0475
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 failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003844 log(ss)= 1.097
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.01478 log(ss)= 0.783
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.3788 log(ss)= 0.2904
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 14.56 log(ss)= -1.992
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 failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003844 log(ss)= 1.696
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.01478 log(ss)= 1.038
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.3788 log(ss)= 0.2737
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 14.56 log(ss)= -2.747
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 failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003844 log(ss)= 0.8813
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.01478 log(ss)= 0.8293
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.5682 log(ss)= -0.06785
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 failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005767 log(ss)= 0.2794
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
At this point, we should have the solution for the hydrogen/air problem.
sim.show()
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 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 spreadRate T Lambda eField
-------------------------------------------------------------------------------
0 0.05335 -4.246e-24 300 -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 -1.877e-54 0 900 -0.4 0
-------------------------------------------------------------------------------
z Uo H2 H O O2
-------------------------------------------------------------------------------
0 0 0.003467 6.184e-21 -1.277e-22 0.2311
0.02 0 0.003467 1.803e-27 -5.3e-21 0.2311
0.04 0 0.003462 -1.563e-28 -9.52e-22 0.2311
0.06 0 0.003399 6.903e-28 6.279e-23 0.2311
0.07 0 0.003197 2.671e-27 9.893e-21 0.2308
0.08 0 0.002515 7.324e-25 3.964e-19 0.2273
0.085 0 0.001917 7.242e-22 1.443e-17 0.2199
0.09 0 0.001239 2.813e-18 1.287e-15 0.2059
0.095 0 0.0005939 1.556e-14 4.57e-13 0.1885
0.1 0 1.714e-05 2.538e-17 7.664e-16 0.1721
-------------------------------------------------------------------------------
z OH H2O HO2 H2O2 C
-------------------------------------------------------------------------------
0 9.333e-21 6.863e-10 3.604e-16 4.37e-16 -4.981e-21
0.02 -4.419e-24 3.182e-08 1.828e-14 2.236e-14 -7.26e-29
0.04 -1.389e-24 1.406e-06 8.826e-13 1.087e-12 -8.994e-37
0.06 3.992e-25 5.259e-05 3.61e-11 4.476e-11 -7.809e-45
0.07 1.904e-23 0.0005519 4.128e-10 5.129e-10 -2.909e-51
0.08 1.426e-21 0.005056 4.262e-09 5.161e-09 4.73e-43
0.085 1.554e-19 0.01334 1.411e-08 1.388e-08 2.742e-45
0.09 2.06e-16 0.02753 3.808e-08 2.826e-08 7.586e-43
0.095 2.135e-12 0.04367 7.859e-08 4.089e-08 8.092e-44
0.1 1.913e-08 0.05843 7.885e-08 4.089e-08 8.04e-42
-------------------------------------------------------------------------------
z CH CH2 CH2(S) CH3 CH4
-------------------------------------------------------------------------------
0 -1.635e-20 8.627e-24 -9.895e-39 4.812e-20 -9.134e-21
0.02 -7.436e-29 -7.898e-30 -3.284e-37 4.637e-20 -8.355e-21
0.04 -2.574e-37 -2.034e-36 2.491e-43 4.543e-20 -7.441e-21
0.06 -8.516e-46 4.432e-43 3.647e-44 4.198e-20 -6.118e-21
0.07 3.031e-50 -1.388e-41 1.236e-42 3.144e-20 -4.914e-21
0.08 2.926e-42 -1.044e-39 3.026e-41 6.919e-21 -2.236e-21
0.085 5.786e-49 -6.019e-38 5.211e-40 1.087e-21 -7.758e-22
0.09 1.272e-46 9.088e-35 3.548e-38 4.703e-23 -5.543e-22
0.095 3.12e-39 4.333e-28 2.16e-31 -1.178e-23 -1.092e-21
0.1 1.356e-38 1.172e-21 1.206e-27 -7.166e-22 -1.08e-21
-------------------------------------------------------------------------------
z CO CO2 HCO CH2O CH2OH
-------------------------------------------------------------------------------
0 3.157e-21 -7.715e-25 4.907e-29 1.861e-21 1.25e-41
0.02 1.177e-19 -3.736e-23 2.805e-27 2.81e-20 -1.341e-42
0.04 1.177e-19 -3.476e-23 2.317e-34 2.822e-20 -2.186e-43
0.06 1.176e-19 1.038e-22 6.545e-40 3.197e-20 8.002e-46
0.07 1.17e-19 2.025e-21 1.613e-38 4.927e-20 3.947e-43
0.08 1.107e-19 2.651e-20 3.98e-36 8.863e-20 1.074e-39
0.085 9.754e-20 8.892e-20 4.408e-34 8.58e-20 7.05e-37
0.09 7.225e-20 2.279e-19 5.116e-32 6.163e-20 5.166e-34
0.095 4.061e-20 4.163e-19 1.185e-27 2.861e-20 1.198e-29
0.1 5.297e-22 5.977e-19 2.615e-21 -8.526e-21 9.109e-23
-------------------------------------------------------------------------------
z CH3O CH3OH C2H C2H2 C2H3
-------------------------------------------------------------------------------
0 7.302e-31 -9.623e-21 6.096e-20 5.866e-22 2.382e-20
0.02 2.551e-28 -9.623e-21 5.438e-28 9.183e-22 2.491e-27
0.04 1.207e-26 -9.62e-21 4.101e-36 9.182e-22 2.2e-34
0.06 4.547e-25 -9.541e-21 2.201e-44 9.136e-22 1.383e-41
0.07 3.786e-24 -9.096e-21 1.823e-52 8.531e-22 3.074e-42
0.08 6.483e-24 -7.13e-21 4.071e-52 1.207e-22 8.379e-41
0.085 1.79e-24 -6.741e-21 3.689e-44 -1.666e-21 -2.087e-37
0.09 8.768e-26 -7.963e-21 3.441e-36 -5.526e-21 3.604e-34
0.095 -7.938e-27 -9.838e-21 1.124e-28 -1.067e-20 2.559e-27
0.1 1.77e-25 -1.163e-20 1.499e-21 -1.59e-20 4.773e-21
-------------------------------------------------------------------------------
z C2H4 C2H5 C2H6 HCCO CH2CO
-------------------------------------------------------------------------------
0 -1.669e-23 -2.07e-42 -4.926e-22 9.723e-42 -8.03e-21
0.02 -1.667e-23 4.812e-41 -4.926e-22 -3.96e-42 -8.03e-21
0.04 -1.667e-23 2.185e-41 -4.927e-22 -5.968e-43 -8.03e-21
0.06 -1.652e-23 -2.69e-39 -4.977e-22 5.989e-44 -8.03e-21
0.07 -1.452e-23 -2.635e-34 -5.727e-22 7.536e-42 -8.043e-21
0.08 1.043e-23 -1.446e-29 -1.586e-21 2.723e-41 -8.23e-21
0.085 7.279e-23 -1.396e-33 -4.309e-21 -8.445e-38 -8.77e-21
0.09 2.092e-22 -5.042e-31 -1.062e-20 -7.565e-35 -1.008e-20
0.095 3.919e-22 -2.508e-26 -1.939e-20 -3.642e-31 -1.194e-20
0.1 1.694e-21 -1.268e-21 -2.801e-20 -4.339e-31 -1.377e-20
-------------------------------------------------------------------------------
z HCCOH AR N2
-------------------------------------------------------------------------------
0 9.768e-21 0.01374 0.7516
0.02 9.768e-21 0.01374 0.7516
0.04 9.768e-21 0.01374 0.7516
0.06 9.769e-21 0.01374 0.7517
0.07 9.788e-21 0.01374 0.7517
0.08 1.007e-20 0.01374 0.7514
0.085 1.088e-20 0.01373 0.7511
0.09 1.285e-20 0.01374 0.7516
0.095 1.564e-20 0.01378 0.7534
0.1 1.84e-20 0.01382 0.7557
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Temperature: 900 K
Coverages:
PT(S) 0.08833
H(S) 1.353e-07
H2O(S) 1.679e-05
OH(S) 0.005673
CO(S) 9.347e-23
CO2(S) 1.057e-27
CH3(S) 2.924e-29
CH2(S)s 2.924e-29
CH(S) 2.924e-29
C(S) 8.659e-28
O(S) 0.906
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)
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0002563 log(ss)= -0.8978
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.009853 log(ss)= -0.9216
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.005918 log(ss)= -1.045
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.002666 log(ss)= -1.082
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.002402 log(ss)= -1.058
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.001082 log(ss)= -1.041
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0009751 log(ss)= -1.025
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0008786 log(ss)= -1.014
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0007916 log(ss)= -1.003
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0007133 log(ss)= -0.9932
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0006427 log(ss)= -0.9837
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005791 log(ss)= -0.9751
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005217 log(ss)= -0.9675
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0009402 log(ss)= -0.9601
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0008471 log(ss)= -0.9531
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0007633 log(ss)= -0.9468
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0006877 log(ss)= -0.9403
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0006197 log(ss)= -0.9345
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005583 log(ss)= -0.9285
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005031 log(ss)= -0.9231
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0004533 log(ss)= -0.9179
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0004084 log(ss)= -0.9129
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.000368 log(ss)= -0.9078
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0006631 log(ss)= -0.9028
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005975 log(ss)= -0.898
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005383 log(ss)= -0.8934
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.000485 log(ss)= -0.889
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.000437 log(ss)= -0.8844
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003938 log(ss)= -0.8803
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003548 log(ss)= -0.8761
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003197 log(ss)= -0.872
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.000288 log(ss)= -0.8681
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.000519 log(ss)= -0.864
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0004677 log(ss)= -0.8603
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0004214 log(ss)= -0.8566
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003797 log(ss)= -0.8527
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003421 log(ss)= -0.8492
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003082 log(ss)= -0.8455
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0002777 log(ss)= -0.842
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005004 log(ss)= -0.8384
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0004509 log(ss)= -0.8349
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0004063 log(ss)= -0.8316
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003661 log(ss)= -0.8283
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003298 log(ss)= -0.825
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0002972 log(ss)= -0.8218
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0002678 log(ss)= -0.8187
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0002413 log(ss)= -0.8154
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0004348 log(ss)= -0.8121
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0003917 log(ss)= -0.8091
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Time stepping failed; attempting to refine the grid and retry (1/3)...
##############################################################################
Refining grid in flame.
New points inserted after grid points 0 1 2 3 4 5 6 7 8
to resolve AR CH4 CO2 H2 H2O HO2 N2 O2 OH T spreadRate velocity
##############################################################################
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005767 log(ss)= 2.203
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.01108 log(ss)= 1.803
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.004994 log(ss)= 1.623
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.004499 log(ss)= 1.555
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.008108 log(ss)= 1.481
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.007305 log(ss)= 1.395
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.01316 log(ss)= 1.313
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.02372 log(ss)= 1.296
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.04275 log(ss)= 1.232
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.137 log(ss)= 1.04
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.4622 log(ss)= 1.11
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 1.04 log(ss)= -0.397
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 spreadRate 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 spreadRate velocity
##############################################################################
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.0005767 log(ss)= 1.715
Attempt Newton solution of steady-state problem.
Newton steady-state solve failed.
Attempt 10 timesteps.
Final timestep info: dt= 0.02217 log(ss)= -0.02876
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
show the solution
sim.show()
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 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 spreadRate T Lambda eField
-------------------------------------------------------------------------------
0 0.05304 3.254e-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 0.0003228 0.1717 838.4 -0.3867 0
0.09875 0.0001472 0.1176 859.4 -0.3867 0
0.09938 3.773e-05 0.06035 879.9 -0.3867 0
0.09969 1.557e-05 0.03031 890 -0.3867 0
0.1 -5.292e-38 0 900 -0.3867 0
-------------------------------------------------------------------------------
z Uo H2 H O O2
-------------------------------------------------------------------------------
0 0 8.481e-19 -6.808e-20 -8.87e-19 0.2204
0.01 0 6.677e-18 -6.166e-26 -6.38e-19 0.2204
0.02 0 5.162e-17 -5.531e-32 -2.178e-19 0.2204
0.03 0 3.87e-16 3.49e-31 -7.13e-20 0.2204
0.04 0 2.751e-15 -1.388e-32 -2.188e-20 0.2204
0.05 0 1.805e-14 -5.502e-32 -6.101e-21 0.2204
0.06 0 1.057e-13 1.824e-32 -1.472e-21 0.2204
0.065 0 2.751e-13 3.088e-31 -4.52e-22 0.2203
0.07 0 7.244e-13 3.741e-29 1.075e-21 0.2203
0.075 0 1.788e-12 -4.553e-26 1.603e-20 0.22
0.0775 0 2.742e-12 1.421e-25 8.35e-20 0.2194
0.08 0 4.113e-12 2.388e-24 3.665e-19 0.2177
0.08125 0 4.973e-12 9.504e-24 7.392e-19 0.216
0.0825 0 5.952e-12 3.578e-23 1.325e-18 0.2132
0.08375 0 7.034e-12 1.225e-22 1.983e-18 0.209
0.085 0 8.194e-12 3.903e-22 2.374e-18 0.2032
0.08625 0 9.404e-12 1.486e-21 2.34e-18 0.1957
0.0875 0 1.063e-11 1.266e-20 2.322e-18 0.1864
0.08875 0 1.186e-11 1.795e-19 4.784e-18 0.1757
0.09 0 1.306e-11 2.203e-18 2.721e-17 0.1638
0.09125 0 1.423e-11 1.979e-17 1.797e-16 0.1512
0.0925 0 1.536e-11 1.277e-16 1.017e-15 0.1382
0.09375 0 1.644e-11 5.981e-16 4.768e-15 0.1251
0.095 0 1.743e-11 2.122e-15 1.873e-14 0.1122
0.09625 0 1.818e-11 6.171e-15 6.364e-14 0.09948
0.09688 0 1.824e-11 1.012e-14 1.135e-13 0.09328
0.0975 0 1.793e-11 1.632e-14 1.981e-13 0.08717
0.09813 0 1.698e-11 2.607e-14 3.41e-13 0.08117
0.09875 0 1.494e-11 4.151e-14 5.82e-13 0.07527
0.09938 0 1.105e-11 6.589e-14 9.826e-13 0.06948
0.09969 0 7.715e-12 5.511e-14 7.903e-13 0.06662
0.1 0 3.964e-12 6.217e-16 9.576e-15 0.06378
-------------------------------------------------------------------------------
z OH H2O HO2 H2O2 C
-------------------------------------------------------------------------------
0 -8.868e-25 1.356e-14 8.398e-21 -2.686e-20 -7.168e-19
0.01 -3.89e-22 3.307e-13 -3.644e-18 -2.36e-20 -2.313e-26
0.02 -1.36e-22 7.976e-12 -3.439e-18 6.214e-20 -7.202e-34
0.03 -4.453e-23 1.858e-10 1.72e-18 2.238e-18 -2.108e-41
0.04 -1.367e-23 4.068e-09 1.238e-16 5.409e-17 -5.615e-49
0.05 -3.069e-24 8.112e-08 2.75e-15 1.176e-15 -1.307e-56
0.06 2.413e-22 1.413e-06 5.191e-14 2.232e-14 -7.155e-64
0.065 9.762e-21 8.653e-06 3.405e-13 1.472e-13 -6.431e-62
0.07 4.552e-19 5.707e-05 2.415e-12 1.05e-12 -1.896e-57
0.075 1.612e-17 0.0003335 1.514e-11 6.619e-12 -5.008e-57
0.0775 1.037e-16 0.00085 4.052e-11 1.777e-11 -7.25e-55
0.08 6.012e-16 0.002149 1.083e-10 4.762e-11 -2.58e-50
0.08125 1.351e-15 0.003384 1.764e-10 7.752e-11 -2.015e-52
0.0825 2.781e-15 0.005243 2.837e-10 1.245e-10 -9.123e-48
0.08375 5.081e-15 0.007865 4.425e-10 1.938e-10 -4.581e-47
0.085 8.22e-15 0.01132 6.631e-10 2.891e-10 -3.03e-48
0.08625 1.204e-14 0.01558 9.505e-10 4.117e-10 -8.219e-46
0.0875 1.653e-14 0.02052 1.303e-09 5.6e-10 -1.651e-47
0.08875 2.213e-14 0.02596 1.715e-09 7.298e-10 -2.939e-46
0.09 3.035e-14 0.03173 2.175e-09 9.153e-10 -3.689e-46
0.09125 4.611e-14 0.03764 2.673e-09 1.111e-09 -2.93e-42
0.0925 8.549e-14 0.04356 3.2e-09 1.31e-09 -3.879e-36
0.09375 1.98e-13 0.04939 3.75e-09 1.508e-09 -4.558e-30
0.095 5.266e-13 0.05507 4.322e-09 1.697e-09 5.303e-36
0.09625 1.471e-12 0.06056 4.917e-09 1.865e-09 5.548e-41
0.09688 2.487e-12 0.06323 5.218e-09 1.933e-09 3.437e-40
0.0975 4.206e-12 0.06584 5.518e-09 1.986e-09 2.538e-39
0.09813 7.135e-12 0.0684 5.802e-09 2.021e-09 3.801e-35
0.09875 1.22e-11 0.07091 6.046e-09 2.036e-09 3.526e-30
0.09938 4.026e-11 0.07337 6.2e-09 2.032e-09 2.868e-25
0.09969 5.778e-09 0.07458 6.193e-09 2.025e-09 1.02e-20
0.1 1.766e-08 0.07579 6.139e-09 2.018e-09 4.52e-20
-------------------------------------------------------------------------------
z CH CH2 CH2(S) CH3 CH4
-------------------------------------------------------------------------------
0 8.499e-35 6.252e-20 6.468e-35 1.031e-18 0.04998
0.01 6.469e-43 4.117e-26 1.647e-33 -1.191e-18 0.04998
0.02 7.104e-47 2.616e-32 9.955e-40 -1.699e-18 0.04998
0.03 1.489e-48 -1.596e-39 -8.935e-40 4.841e-18 0.04998
0.04 1.337e-47 -1.185e-37 -6.156e-39 1.543e-16 0.04998
0.05 2.675e-44 -5.292e-37 -2.752e-38 3.136e-15 0.04998
0.06 -6.835e-44 7.349e-34 3.817e-35 5.49e-14 0.04998
0.065 1.368e-41 1.825e-31 9.481e-33 3.375e-13 0.04998
0.07 3.111e-40 5.634e-29 2.93e-30 2.236e-12 0.04995
0.075 1.121e-39 1.172e-26 6.12e-28 1.315e-11 0.04984
0.0775 -2.927e-39 1.942e-25 1.022e-26 3.393e-11 0.04962
0.08 -1.057e-38 2.901e-24 1.555e-25 8.786e-11 0.04909
0.08125 1.952e-38 1.051e-23 5.721e-25 1.425e-10 0.04858
0.0825 -1.729e-39 3.46e-23 1.925e-24 2.302e-10 0.04781
0.08375 1.189e-38 9.898e-23 5.654e-24 3.664e-10 0.04672
0.085 -7.396e-38 2.441e-22 1.433e-23 5.718e-10 0.04524
0.08625 -3.547e-37 5.32e-22 3.193e-23 8.749e-10 0.04339
0.0875 -2.327e-36 1.069e-21 6.488e-23 1.315e-09 0.04118
0.08875 7.731e-37 2.082e-21 1.259e-22 1.949e-09 0.03868
0.09 5.956e-36 4.198e-21 2.48e-22 2.856e-09 0.03595
0.09125 8.845e-35 9.635e-21 5.438e-22 4.157e-09 0.03309
0.0925 1.611e-33 2.781e-20 1.468e-21 6.038e-09 0.03016
0.09375 3.147e-32 1.011e-19 4.928e-21 8.8e-09 0.02722
0.095 4.777e-31 4.219e-19 1.885e-20 1.295e-08 0.02431
0.09625 6.928e-30 1.877e-18 7.635e-20 1.94e-08 0.02146
0.09688 2.641e-29 4.083e-18 1.579e-19 2.414e-08 0.02006
0.0975 1.005e-28 8.973e-18 3.296e-19 3.026e-08 0.01869
0.09813 3.878e-28 2.004e-17 6.972e-19 3.833e-08 0.01733
0.09875 1.541e-27 4.59e-17 1.509e-18 4.919e-08 0.016
0.09938 1.272e-26 1.965e-16 6.176e-18 6.417e-08 0.01469
0.09969 8.19e-24 2.58e-15 8.038e-17 6.759e-08 0.01405
0.1 1.654e-26 2.433e-16 7.74e-18 6.423e-08 0.0134
-------------------------------------------------------------------------------
z CO CO2 HCO CH2O CH2OH
-------------------------------------------------------------------------------
0 3.736e-19 2.25e-16 2.399e-29 1.893e-21 -2.028e-45
0.01 6.406e-18 7.762e-15 -1.073e-25 -1.816e-19 -1.266e-42
0.02 2.554e-16 2.648e-13 -1.718e-32 9.488e-19 -6.491e-42
0.03 6.547e-15 8.715e-12 -3.807e-37 3.853e-17 -6.946e-41
0.04 1.558e-13 2.693e-10 -3.212e-36 1.211e-15 -6.606e-40
0.05 3.372e-12 7.564e-09 2.106e-34 3.439e-14 1.938e-39
0.06 6.371e-11 1.85e-07 1.049e-31 8.506e-13 3.959e-36
0.065 4.186e-10 1.528e-06 5.825e-30 7.095e-12 4.342e-34
0.07 2.975e-09 1.381e-05 5.412e-28 6.48e-11 1.243e-31
0.075 1.868e-08 0.0001091 7.715e-26 5.165e-10 3.27e-29
0.0775 5.004e-08 0.0003439 1.394e-24 1.639e-09 6.616e-28
0.08 1.338e-07 0.001094 2.483e-23 5.242e-09 1.219e-26
0.08125 2.179e-07 0.001962 1.005e-22 9.427e-09 4.916e-26
0.0825 3.501e-07 0.003485 3.768e-22 1.676e-08 1.804e-25
0.08375 5.453e-07 0.005962 1.253e-21 2.864e-08 5.726e-25
0.085 8.15e-07 0.009686 3.783e-21 4.639e-08 1.583e-24
0.08625 1.164e-06 0.01486 1.132e-20 7.084e-08 4.081e-24
0.0875 1.589e-06 0.02155 3.704e-20 1.02e-07 1.133e-23
0.08875 2.078e-06 0.02964 1.347e-19 1.392e-07 3.969e-23
0.09 2.617e-06 0.0389 5.067e-19 1.811e-07 1.754e-22
0.09125 3.19e-06 0.04902 1.838e-18 2.261e-07 8.416e-22
0.0925 3.78e-06 0.0597 6.248e-18 2.726e-07 3.86e-21
0.09375 4.375e-06 0.07063 1.999e-17 3.191e-07 1.593e-20
0.095 4.965e-06 0.08161 6.122e-17 3.641e-07 5.833e-20
0.09625 5.543e-06 0.09245 1.824e-16 4.056e-07 1.931e-19
0.09688 5.826e-06 0.09777 3.136e-16 4.238e-07 3.437e-19
0.0975 6.105e-06 0.103 5.351e-16 4.397e-07 6.085e-19
0.09813 6.379e-06 0.1082 9.056e-16 4.523e-07 1.084e-18
0.09875 6.649e-06 0.1133 1.519e-15 4.602e-07 1.977e-18
0.09938 6.914e-06 0.1183 2.8e-15 4.616e-07 5.362e-18
0.09969 7.044e-06 0.1208 4.218e-15 4.58e-07 4.8e-17
0.1 7.175e-06 0.1233 2.897e-15 4.534e-07 6.16e-18
-------------------------------------------------------------------------------
z CH3O CH3OH C2H C2H2 C2H3
-------------------------------------------------------------------------------
0 -2.347e-34 -8.851e-21 -7.164e-19 2.881e-21 -2.185e-19
0.01 -7.789e-32 -8.754e-21 -1.402e-26 1.163e-21 -4.998e-26
0.02 -4.317e-31 -5.334e-21 -2.645e-34 1.163e-21 -1.103e-32
0.03 1.602e-31 1.104e-19 -4.681e-42 1.167e-21 -2.282e-39
0.04 6.18e-27 3.783e-18 -7.522e-50 1.272e-21 6.727e-42
0.05 2.784e-24 1.096e-16 -3.605e-55 4.051e-21 4.162e-39
0.06 9.163e-22 2.757e-15 7.31e-52 6.817e-20 1.764e-36
0.065 3.697e-20 2.336e-14 2.305e-49 5.29e-19 9.071e-35
0.07 1.734e-18 2.168e-13 9.492e-47 4.542e-18 6.412e-33
0.075 6.324e-17 1.756e-12 2.974e-44 3.419e-17 5.907e-31
0.0775 4.297e-16 5.637e-12 7.866e-43 1.041e-16 9.546e-30
0.08 2.843e-15 1.826e-11 2.919e-41 3.192e-16 1.839e-28
0.08125 7.176e-15 3.308e-11 2.263e-40 5.608e-16 8.554e-28
0.0825 1.733e-14 5.929e-11 2.137e-39 9.744e-16 4.038e-27
0.08375 3.85e-14 1.021e-10 2.355e-38 1.633e-15 1.884e-26
0.085 7.679e-14 1.667e-10 2.841e-37 2.604e-15 8.911e-26
0.08625 1.366e-13 2.564e-10 3.443e-36 3.932e-15 4.505e-25
0.0875 2.183e-13 3.717e-10 3.839e-35 5.623e-15 2.47e-24
0.08875 3.195e-13 5.103e-10 3.705e-34 7.643e-15 1.385e-23
0.09 4.369e-13 6.674e-10 3.063e-33 9.931e-15 7.345e-23
0.09125 5.647e-13 8.367e-10 2.295e-32 1.241e-14 3.52e-22
0.0925 6.865e-13 1.011e-09 1.724e-31 1.5e-14 1.505e-21
0.09375 7.752e-13 1.183e-09 1.351e-30 1.764e-14 5.802e-21
0.095 8.206e-13 1.343e-09 1.038e-29 2.026e-14 2.053e-20
0.09625 8.528e-13 1.484e-09 1.609e-28 2.279e-14 6.831e-20
0.09688 8.863e-13 1.544e-09 1.874e-28 2.399e-14 1.234e-19
0.0975 9.358e-13 1.595e-09 4.048e-28 2.511e-14 2.214e-19
0.09813 1.009e-12 1.636e-09 1.139e-27 2.614e-14 3.954e-19
0.09875 1.113e-12 1.664e-09 2.729e-27 2.703e-14 7.058e-19
0.09938 1.257e-12 1.677e-09 1.226e-26 2.769e-14 1.461e-18
0.09969 1.285e-12 1.672e-09 3.222e-26 2.783e-14 2.634e-18
0.1 1.249e-12 1.644e-09 1.55e-26 2.788e-14 1.546e-18
-------------------------------------------------------------------------------
z C2H4 C2H5 C2H6 HCCO CH2CO
-------------------------------------------------------------------------------
0 8.089e-23 -4.888e-42 2.922e-19 -1.792e-44 -4.85e-28
0.01 1.928e-22 -2.582e-38 3.082e-19 -1.014e-42 -4.481e-28
0.02 4.006e-21 -4.072e-37 8.875e-19 -3.473e-43 1.023e-27
0.03 1.272e-19 -4.607e-36 2.118e-17 -1.25e-43 5.751e-26
0.04 3.863e-18 3.643e-35 6.877e-16 -1.638e-42 2.092e-24
0.05 1.067e-16 3.459e-32 2.056e-14 -1.642e-41 6.854e-23
0.06 2.566e-15 1.103e-29 5.351e-13 -9.117e-41 1.954e-21
0.065 2.087e-14 4.688e-28 4.674e-12 2.93e-40 1.853e-20
0.07 1.857e-13 3.935e-26 4.48e-11 2.57e-37 1.935e-19
0.075 1.444e-12 6.443e-24 3.741e-10 8.257e-35 1.754e-18
0.0775 4.501e-12 1.227e-22 1.229e-09 1.898e-33 6.131e-18
0.08 1.414e-11 2.151e-21 4.083e-09 4.14e-32 2.175e-17
0.08125 2.518e-11 8.352e-21 7.515e-09 1.88e-31 4.159e-17
0.0825 4.437e-11 2.898e-20 1.37e-08 7.959e-31 7.888e-17
0.08375 7.529e-11 8.54e-20 2.401e-08 2.949e-30 1.434e-16
0.085 1.214e-10 2.167e-19 3.985e-08 9.357e-30 2.459e-16
0.08625 1.849e-10 5.144e-19 6.225e-08 2.568e-29 3.948e-16
0.0875 2.663e-10 1.306e-18 9.154e-08 6.263e-29 5.942e-16
0.08875 3.64e-10 3.905e-18 1.272e-07 1.41e-28 8.419e-16
0.09 4.748e-10 1.327e-17 1.681e-07 3.099e-28 1.131e-15
0.09125 5.952e-10 4.657e-17 2.126e-07 7.365e-28 1.451e-15
0.0925 7.212e-10 1.591e-16 2.589e-07 2.174e-27 1.792e-15
0.09375 8.492e-10 5.212e-16 3.052e-07 8.189e-27 2.143e-15
0.095 9.761e-10 1.654e-15 3.495e-07 3.458e-26 2.495e-15
0.09625 1.098e-09 5.191e-15 3.898e-07 1.457e-25 2.842e-15
0.09688 1.154e-09 9.337e-15 4.071e-07 2.971e-25 3.011e-15
0.0975 1.207e-09 1.691e-14 4.22e-07 5.998e-25 3.174e-15
0.09813 1.252e-09 3.101e-14 4.336e-07 1.203e-24 3.33e-15
0.09875 1.287e-09 5.804e-14 4.405e-07 2.411e-24 3.471e-15
0.09938 1.304e-09 1.205e-13 4.406e-07 7.222e-24 3.584e-15
0.09969 1.298e-09 1.769e-13 4.36e-07 5.728e-23 3.602e-15
0.1 1.285e-09 1.24e-13 4.302e-07 8.213e-24 3.47e-15
-------------------------------------------------------------------------------
z HCCOH AR N2
-------------------------------------------------------------------------------
0 -4.787e-30 0.0131 0.7166
0.01 -4.787e-30 0.0131 0.7166
0.02 -4.773e-30 0.0131 0.7166
0.03 -4.233e-30 0.0131 0.7166
0.04 1.521e-29 0.0131 0.7166
0.05 6.502e-28 0.0131 0.7166
0.06 1.866e-26 0.0131 0.7166
0.065 1.77e-25 0.0131 0.7166
0.07 1.849e-24 0.0131 0.7166
0.075 1.676e-23 0.0131 0.7166
0.0775 5.859e-23 0.0131 0.7167
0.08 2.078e-22 0.01311 0.7169
0.08125 3.974e-22 0.01311 0.717
0.0825 7.538e-22 0.01311 0.7172
0.08375 1.371e-21 0.01311 0.7173
0.085 2.35e-21 0.01312 0.7174
0.08625 3.773e-21 0.01312 0.7174
0.0875 5.678e-21 0.01311 0.7172
0.08875 8.045e-21 0.01311 0.7169
0.09 1.081e-20 0.0131 0.7165
0.09125 1.387e-20 0.01309 0.7159
0.0925 1.713e-20 0.01308 0.7153
0.09375 2.048e-20 0.01306 0.7145
0.095 2.385e-20 0.01305 0.7138
0.09625 2.717e-20 0.01304 0.713
0.09688 2.879e-20 0.01303 0.7126
0.0975 3.039e-20 0.01302 0.7122
0.09813 3.195e-20 0.01302 0.7119
0.09875 3.346e-20 0.01301 0.7115
0.09938 3.488e-20 0.013 0.7111
0.09969 3.548e-20 0.013 0.7109
0.1 3.597e-20 0.013 0.7108
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
Temperature: 900 K
Coverages:
PT(S) 0.1251
H(S) 2.667e-07
H2O(S) 3.119e-05
OH(S) 0.007565
CO(S) 3.86e-05
CO2(S) 4.18e-10
CH3(S) 3.122e-09
CH2(S)s 3.122e-09
CH(S) 3.122e-09
C(S) 1.372e-07
O(S) 0.8673
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",
overwrite=True)
# 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()
Statistics:
Grid Timesteps Functions Time Jacobians Time
8 0 87 0.0096 2 0.0079
10 0 6 0.0009 1 0.0053
12 0 6 0.0011 1 0.0061
12 0 58 0.0111 2 0.0124
12 20 208 0.0405 5 0.0314
12 40 446 0.0858 13 0.0815
12 40 412 0.0796 13 0.0815
12 30 250 0.0487 8 0.0500
12 10 68 0.0133 3 0.0189
12 500 13039 2.4698 350 2.1710
21 120 3771 1.3575 73 0.7410
30 0 30 0.0159 1 0.0142
33 20 164 0.0963 5 0.0769
34 0 5 0.0030 1 0.0160
Temperature Profile#
Major Species Profiles#
fig, ax = plt.subplots()
major = ('O2', 'CH4', 'H2O', 'CO2')
states = sim.to_array()
ax.plot(states.grid, states(*major).X, label=major)
ax.set(xlabel='distance from inlet [m]', ylabel='mole fractions')
ax.legend()
plt.show()
Total running time of the script: (0 minutes 10.069 seconds)