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Laminar flame speed sensitivity analysis#
Sensitivity analysis for a freely-propagating, premixed methane-air flame. Computes the sensitivity of the laminar flame speed with respect to each reaction rate constant.
Requires: cantera >= 2.5.0
************ Solving on 8 point grid with energy equation enabled ************
..............................................................................
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 3.204e-05 4.719
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0008211 3.688
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0004384 5.248
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 9.753e-06 6.445
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.00025 4.322
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.004271 3.634
Attempt Newton solution of steady-state problem... success.
Problem solved on [9] point grid(s).
Expanding domain to accommodate flame thickness. New width: 0.06 m
##############################################################################
Refining grid in flame.
New points inserted after grid points 0 1 2 3 4 5 6
to resolve C C2H2 C2H3 C2H4 C2H5 C2H6 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH CH4 CO CO2 H H2 H2O H2O2 HCCO HCN HCNO HCO HNCO HO2 N2 N2O NCO NO NO2 O O2 OH T velocity
##############################################################################
*********** Solving on 16 point grid with energy equation enabled ************
..............................................................................
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 2.136e-05 5.714
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 6.082e-05 5.615
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.001559 4.299
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 2.601e-05 6.442
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0001481 5.395
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0002109 5.3
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 2.815e-05 6.084
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0007215 4.42
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.008218 3.021
Attempt Newton solution of steady-state problem... success.
Problem solved on [16] point grid(s).
..............................................................................
grid refinement disabled.
******************** Solving with grid refinement enabled ********************
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [16] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 3 4 5 6 7 8 9 12 13
to resolve C C2H2 C2H3 C2H4 C2H5 C2H6 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH CH4 CO CO2 H H2 H2O H2O2 HCCO HCN HCNO HCO HNCO HO2 N N2 N2O NCO NO NO2 O O2 OH T velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0001709 4.732
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 1.711e-05 6.445
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0001461 4.951
Attempt Newton solution of steady-state problem... success.
Problem solved on [25] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 6 7 8 9 10 11 12 13 14 23
to resolve C C2H2 C2H3 C2H4 C2H5 C2H6 C3H7 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH CH4 CO CO2 H H2 H2O H2O2 HCCO HCN HCNO HCO HNCO HO2 N N2 N2O NCO NO NO2 O O2 OH T point 23 velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0001709 4.886
Attempt Newton solution of steady-state problem... success.
Problem solved on [35] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 9 10 11 12 13 14 15 16 17 18 20 32
to resolve C C2H C2H2 C2H3 C2H4 C2H5 C2H6 C3H7 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH CH4 CO CO2 H H2 H2O H2O2 HCCO HCCOH HCN HCNO HCO HNCO HO2 N N2 N2O NCO NH3 NO NO2 O O2 OH T velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem... failure.
Take 10 timesteps 0.0001139 5.278
Attempt Newton solution of steady-state problem... success.
Problem solved on [47] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 11 12 13 14 15 16 17 18 19 20 21 22
to resolve C C2H C2H2 C2H3 C2H4 C2H5 C2H6 C3H7 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH CH4 CO CO2 H H2 H2O H2O2 HCCO HCCOH HCN HCNO HCO HNCO HO2 N N2 N2O NCO NO NO2 O O2 OH T velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [59] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28
to resolve C C2H C2H2 C2H3 C2H4 C2H5 C2H6 C3H7 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH CH4 CO CO2 H H2 H2O H2O2 HCCO HCCOH HCN HCNO HCO HNCO HO2 N N2 N2O NCO NO NO2 O O2 OH T velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [74] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35
to resolve C C2H C2H2 C2H3 C2H4 C2H5 C2H6 C3H7 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH CH4 CO CO2 H H2 H2O H2O2 HCCO HCCOH HCN HCO HNCO HO2 N2 NO NO2 O O2 OH T velocity
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [93] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49
to resolve C C2H2 C2H3 C2H4 C2H5 C2H6 C3H7 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH CH4 CO H H2 H2O2 HCCO HCCOH HCN HCO HNCO HO2 NO2 O OH
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [121] point grid(s).
..............................................................................
##############################################################################
Refining grid in flame.
New points inserted after grid points 30 31 32 33 34 35 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71
to resolve C2H2 C2H3 C2H4 C2H5 C2H6 C3H7 C3H8 CH CH2 CH2(S) CH2CHO CH2CO CH2O CH2OH CH3 CH3CHO CH3O CH3OH H2O2 HCCO HCO HO2
##############################################################################
..............................................................................
Attempt Newton solution of steady-state problem... success.
Problem solved on [162] point grid(s).
..............................................................................
no new points needed in flame
mixture-averaged flamespeed = 0.339793 m/s
Rxn # k/S*dS/dk Reaction Equation
----- ---------- ----------------------------------
0 -2.311e-04 2 O + M <=> O2 + M
1 -6.818e-04 H + O + M <=> OH + M
2 3.246e-02 H2 + O <=> H + OH
3 -6.108e-03 HO2 + O <=> O2 + OH
4 -2.255e-05 H2O2 + O <=> HO2 + OH
5 -7.483e-04 CH + O <=> CO + H
6 -4.838e-03 CH2 + O <=> H + HCO
7 -3.019e-04 CH2(S) + O <=> CO + H2
8 -7.043e-05 CH2(S) + O <=> H + HCO
9 -2.409e-02 CH3 + O <=> CH2O + H
10 1.601e-02 CH4 + O <=> CH3 + OH
11 -2.797e-03 CO + O (+M) <=> CO2 (+M)
12 -4.462e-03 HCO + O <=> CO + OH
13 -2.394e-03 HCO + O <=> CO2 + H
14 6.336e-03 CH2O + O <=> HCO + OH
15 -1.258e-04 CH2OH + O <=> CH2O + OH
16 -1.808e-04 CH3O + O <=> CH2O + OH
17 2.944e-04 CH3OH + O <=> CH2OH + OH
18 1.614e-04 CH3OH + O <=> CH3O + OH
19 -3.918e-06 C2H + O <=> CH + CO
20 6.996e-04 C2H2 + O <=> H + HCCO
21 2.724e-06 C2H2 + O <=> C2H + OH
22 7.453e-05 C2H2 + O <=> CH2 + CO
23 -7.560e-04 C2H3 + O <=> CH2CO + H
24 -2.686e-03 C2H4 + O <=> CH3 + HCO
25 -5.673e-04 C2H5 + O <=> CH2O + CH3
26 1.063e-03 C2H6 + O <=> C2H5 + OH
27 -8.875e-05 HCCO + O <=> 2 CO + H
28 8.960e-05 CH2CO + O <=> HCCO + OH
29 2.272e-04 CH2CO + O <=> CH2 + CO2
30 2.214e-05 CO + O2 <=> CO2 + O
31 2.356e-05 CH2O + O2 <=> HCO + HO2
32 -8.967e-03 H + O2 + M <=> HO2 + M
33 -6.713e-04 H + O2 + O2 <=> HO2 + O2
34 -9.766e-02 H + O2 + H2O <=> HO2 + H2O
35 -2.575e-02 H + O2 + N2 <=> HO2 + N2
36 0.000e+00 H + O2 + AR <=> HO2 + AR
37 5.064e-01 H + O2 <=> O + OH
38 -8.648e-04 2 H + M <=> H2 + M
39 -1.639e-05 2 H + H2 <=> H2 + H2
40 -1.532e-03 2 H + H2O <=> H2 + H2O
41 -1.845e-05 2 H + CO2 <=> H2 + CO2
42 -2.912e-02 H + OH + M <=> H2O + M
43 -3.562e-04 H + HO2 <=> H2O + O
44 -4.501e-02 H + HO2 <=> H2 + O2
45 1.106e-02 H + HO2 <=> 2 OH
46 -3.048e-05 H + H2O2 <=> H2 + HO2
47 -4.583e-05 H + H2O2 <=> H2O + OH
48 -3.523e-03 CH + H <=> C + H2
49 -5.534e-04 CH2 + H (+M) <=> CH3 (+M)
50 -2.106e-04 CH2(S) + H <=> CH + H2
51 -1.493e-01 CH3 + H (+M) <=> CH4 (+M)
52 -3.434e-02 CH4 + H <=> CH3 + H2
53 -6.347e-05 H + HCO (+M) <=> CH2O (+M)
54 -3.074e-02 H + HCO <=> CO + H2
55 5.089e-03 CH2O + H (+M) <=> CH2OH (+M)
56 8.352e-03 CH2O + H (+M) <=> CH3O (+M)
57 -3.076e-03 CH2O + H <=> H2 + HCO
58 -7.109e-06 CH2OH + H (+M) <=> CH3OH (+M)
59 -7.672e-04 CH2OH + H <=> CH2O + H2
60 7.483e-03 CH2OH + H <=> CH3 + OH
61 4.043e-04 CH2OH + H <=> CH2(S) + H2O
62 -1.889e-05 CH3O + H (+M) <=> CH3OH (+M)
63 -1.458e-05 CH3O + H <=> CH2OH + H
64 -1.677e-03 CH3O + H <=> CH2O + H2
65 -3.983e-03 CH3O + H <=> CH3 + OH
66 -1.020e-03 CH3O + H <=> CH2(S) + H2O
67 -3.105e-04 CH3OH + H <=> CH2OH + H2
68 -8.188e-05 CH3OH + H <=> CH3O + H2
69 -1.898e-06 C2H + H (+M) <=> C2H2 (+M)
70 1.252e-03 C2H2 + H (+M) <=> C2H3 (+M)
71 -1.432e-04 C2H3 + H (+M) <=> C2H4 (+M)
72 -1.935e-03 C2H3 + H <=> C2H2 + H2
73 1.462e-02 C2H4 + H (+M) <=> C2H5 (+M)
74 1.734e-03 C2H4 + H <=> C2H3 + H2
75 -1.646e-03 C2H5 + H (+M) <=> C2H6 (+M)
76 -2.818e-05 C2H5 + H <=> C2H4 + H2
77 -1.438e-03 C2H6 + H <=> C2H5 + H2
78 -1.144e-03 H + HCCO <=> CH2(S) + CO
79 5.904e-04 CH2CO + H <=> H2 + HCCO
80 -1.240e-03 CH2CO + H <=> CH3 + CO
81 -2.124e-06 H + HCCOH <=> CH2CO + H
82 6.796e-06 CO + H2 (+M) <=> CH2O (+M)
83 2.825e-02 H2 + OH <=> H + H2O
84 -1.850e-02 2 OH (+M) <=> H2O2 (+M)
85 1.022e-02 2 OH <=> H2O + O
86 -1.888e-02 HO2 + OH <=> H2O + O2
87 -1.270e-05 H2O2 + OH <=> H2O + HO2
88 -3.296e-03 H2O2 + OH <=> H2O + HO2
89 -8.637e-05 C + OH <=> CO + H
90 -1.787e-04 CH + OH <=> H + HCO
91 -3.982e-03 CH2 + OH <=> CH2O + H
92 -1.034e-03 CH2 + OH <=> CH + H2O
93 -5.015e-04 CH2(S) + OH <=> CH2O + H
94 -9.722e-03 CH3 + OH (+M) <=> CH3OH (+M)
95 7.571e-03 CH3 + OH <=> CH2 + H2O
96 8.130e-02 CH3 + OH <=> CH2(S) + H2O
97 -3.569e-02 CH4 + OH <=> CH3 + H2O
98 1.562e-01 CO + OH <=> CO2 + H
99 -1.978e-02 HCO + OH <=> CO + H2O
100 4.762e-03 CH2O + OH <=> H2O + HCO
101 -1.759e-04 CH2OH + OH <=> CH2O + H2O
102 -3.228e-04 CH3O + OH <=> CH2O + H2O
103 3.845e-05 CH3OH + OH <=> CH2OH + H2O
104 7.529e-04 CH3OH + OH <=> CH3O + H2O
105 4.616e-07 C2H + OH <=> H + HCCO
106 -7.595e-06 C2H2 + OH <=> CH2CO + H
107 -1.076e-06 C2H2 + OH <=> H + HCCOH
108 -1.908e-06 C2H2 + OH <=> C2H + H2O
109 -1.672e-06 C2H2 + OH <=> CH3 + CO
110 -2.907e-04 C2H3 + OH <=> C2H2 + H2O
111 2.521e-03 C2H4 + OH <=> C2H3 + H2O
112 -1.208e-03 C2H6 + OH <=> C2H5 + H2O
113 6.811e-04 CH2CO + OH <=> H2O + HCCO
114 -6.451e-04 2 HO2 <=> H2O2 + O2
115 -1.266e-03 2 HO2 <=> H2O2 + O2
116 -2.777e-04 CH2 + HO2 <=> CH2O + OH
117 -2.422e-03 CH3 + HO2 <=> CH4 + O2
118 7.966e-02 CH3 + HO2 <=> CH3O + OH
119 1.397e-03 CO + HO2 <=> CO2 + OH
120 5.147e-05 CH2O + HO2 <=> H2O2 + HCO
121 8.837e-05 C + O2 <=> CO + O
122 -4.546e-07 C + CH2 <=> C2H + H
123 -1.046e-06 C + CH3 <=> C2H2 + H
124 7.167e-03 CH + O2 <=> HCO + O
125 -1.768e-02 CH + H2 <=> CH2 + H
126 -3.316e-03 CH + H2O <=> CH2O + H
127 -9.119e-06 CH + CH2 <=> C2H2 + H
128 7.693e-05 CH + CH3 <=> C2H3 + H
129 -6.496e-05 CH + CH4 <=> C2H4 + H
130 -3.300e-05 CH + CO (+M) <=> HCCO (+M)
131 -3.916e-04 CH + CO2 <=> CO + HCO
132 -3.278e-04 CH + CH2O <=> CH2CO + H
133 -1.791e-06 CH + HCCO <=> C2H2 + CO
134 1.461e-02 CH2 + O2 => CO + H + OH
135 5.959e-04 CH2 + H2 <=> CH3 + H
136 -2.034e-04 2 CH2 <=> C2H2 + H2
137 -1.930e-03 CH2 + CH3 <=> C2H4 + H
138 -2.919e-04 CH2 + CH4 <=> 2 CH3
139 -5.280e-04 CH2 + CO (+M) <=> CH2CO (+M)
140 -7.048e-06 CH2 + HCCO <=> C2H3 + CO
141 1.800e-02 CH2(S) + N2 <=> CH2 + N2
142 0.000e+00 AR + CH2(S) <=> AR + CH2
143 1.952e-02 CH2(S) + O2 <=> CO + H + OH
144 -1.066e-02 CH2(S) + O2 <=> CO + H2O
145 2.334e-03 CH2(S) + H2 <=> CH3 + H
146 -3.532e-03 CH2(S) + H2O (+M) <=> CH3OH (+M)
147 7.632e-03 CH2(S) + H2O <=> CH2 + H2O
148 -1.924e-05 CH2(S) + CH3 <=> C2H4 + H
149 -2.005e-03 CH2(S) + CH4 <=> 2 CH3
150 6.266e-04 CH2(S) + CO <=> CH2 + CO
151 3.824e-04 CH2(S) + CO2 <=> CH2 + CO2
152 -6.916e-03 CH2(S) + CO2 <=> CH2O + CO
153 -9.044e-05 C2H6 + CH2(S) <=> C2H5 + CH3
154 -2.043e-05 CH3 + O2 <=> CH3O + O
155 1.642e-03 CH3 + O2 <=> CH2O + OH
156 1.850e-05 CH3 + H2O2 <=> CH4 + HO2
157 -3.601e-02 2 CH3 (+M) <=> C2H6 (+M)
158 -1.541e-02 2 CH3 <=> C2H5 + H
159 -5.445e-03 CH3 + HCO <=> CH4 + CO
160 3.917e-04 CH2O + CH3 <=> CH4 + HCO
161 9.339e-06 CH3 + CH3OH <=> CH2OH + CH4
162 -7.805e-05 CH3 + CH3OH <=> CH3O + CH4
163 1.951e-05 C2H4 + CH3 <=> C2H3 + CH4
164 1.123e-05 C2H6 + CH3 <=> C2H5 + CH4
165 5.722e-02 HCO + H2O <=> CO + H + H2O
166 4.733e-02 HCO + M <=> CO + H + M
167 -4.217e-02 HCO + O2 <=> CO + HO2
168 -3.390e-03 CH2OH + O2 <=> CH2O + HO2
169 2.277e-03 CH3O + O2 <=> CH2O + HO2
170 -4.685e-06 C2H + O2 <=> CO + HCO
171 7.605e-07 C2H + H2 <=> C2H2 + H
172 -6.600e-04 C2H3 + O2 <=> CH2O + HCO
173 5.258e-06 C2H4 (+M) <=> C2H2 + H2 (+M)
174 5.254e-03 C2H5 + O2 <=> C2H4 + HO2
175 1.353e-03 HCCO + O2 <=> 2 CO + OH
176 -2.431e-07 2 HCCO <=> C2H2 + 2 CO
177 -7.490e-06 N + NO <=> N2 + O
178 3.182e-06 N + O2 <=> NO + O
179 -4.400e-06 N + OH <=> H + NO
180 4.186e-08 N2O + O <=> N2 + O2
181 -5.618e-07 N2O + O <=> 2 NO
182 3.100e-06 H + N2O <=> N2 + OH
183 -3.812e-08 N2O + OH <=> HO2 + N2
184 -4.290e-05 N2O (+M) <=> N2 + O (+M)
185 -3.436e-06 HO2 + NO <=> NO2 + OH
186 -2.515e-05 NO + O + M <=> NO2 + M
187 -2.928e-07 NO2 + O <=> NO + O2
188 3.513e-07 H + NO2 <=> NO + OH
189 -1.487e-07 NH + O <=> H + NO
190 4.591e-07 H + NH <=> H2 + N
191 -3.300e-07 NH + OH <=> H + HNO
192 4.162e-07 NH + OH <=> H2O + N
193 4.445e-07 NH + O2 <=> HNO + O
194 2.797e-07 NH + O2 <=> NO + OH
195 1.361e-10 N + NH <=> H + N2
196 -6.862e-07 H2O + NH <=> H2 + HNO
197 2.476e-09 NH + NO <=> N2 + OH
198 -4.553e-06 NH + NO <=> H + N2O
199 3.065e-08 NH2 + O <=> NH + OH
200 -1.209e-07 NH2 + O <=> H + HNO
201 -2.559e-07 H + NH2 <=> H2 + NH
202 -5.025e-08 NH2 + OH <=> H2O + NH
203 -7.312e-07 NNH <=> H + N2
204 -3.940e-07 NNH + M <=> H + N2 + M
205 -1.955e-05 NNH + O2 <=> HO2 + N2
206 -7.818e-06 NNH + O <=> N2 + OH
207 -5.143e-05 NNH + O <=> NH + NO
208 -2.231e-05 H + NNH <=> H2 + N2
209 -1.494e-05 NNH + OH <=> H2O + N2
210 -5.690e-07 CH3 + NNH <=> CH4 + N2
211 -1.965e-05 H + NO + M <=> HNO + M
212 -4.883e-08 HNO + O <=> NO + OH
213 -2.972e-06 H + HNO <=> H2 + NO
214 -6.128e-07 HNO + OH <=> H2O + NO
215 1.991e-07 HNO + O2 <=> HO2 + NO
216 -1.062e-07 CN + O <=> CO + N
217 -1.968e-07 CN + OH <=> H + NCO
218 1.463e-07 CN + H2O <=> HCN + OH
219 5.096e-07 CN + O2 <=> NCO + O
220 -2.711e-08 CN + H2 <=> H + HCN
221 -5.528e-07 NCO + O <=> CO + NO
222 -2.181e-06 H + NCO <=> CO + NH
223 1.952e-06 NCO + OH <=> CO + H + NO
224 2.163e-10 N + NCO <=> CO + N2
225 2.625e-08 NCO + O2 <=> CO2 + NO
226 1.928e-08 NCO + M <=> CO + N + M
227 6.312e-09 NCO + NO <=> CO + N2O
228 4.813e-09 NCO + NO <=> CO2 + N2
229 -6.762e-08 HCN + M <=> CN + H + M
230 -9.174e-07 HCN + O <=> H + NCO
231 -7.899e-07 HCN + O <=> CO + NH
232 2.842e-07 HCN + O <=> CN + OH
233 -3.398e-08 HCN + OH <=> H + HOCN
234 -2.055e-08 HCN + OH <=> H + HNCO
235 -1.415e-08 HCN + OH <=> CO + NH2
236 6.008e-09 H + HCN (+M) <=> H2CN (+M)
237 -4.430e-10 H2CN + N <=> CH2 + N2
238 -3.363e-07 C + N2 <=> CN + N
239 -1.436e-04 CH + N2 <=> HCN + N
240 -1.339e-06 CH + N2 (+M) <=> HCNN (+M)
241 -1.028e-09 CH2 + N2 <=> HCN + NH
242 -1.380e-11 CH2(S) + N2 <=> HCN + NH
243 -3.631e-09 C + NO <=> CN + O
244 -3.962e-08 C + NO <=> CO + N
245 -2.377e-06 CH + NO <=> HCN + O
246 -1.120e-06 CH + NO <=> H + NCO
247 1.095e-07 CH + NO <=> HCO + N
248 -9.194e-06 CH2 + NO <=> H + HNCO
249 -1.379e-06 CH2 + NO <=> HCN + OH
250 -2.403e-06 CH2 + NO <=> H + HCNO
251 -7.958e-07 CH2(S) + NO <=> H + HNCO
252 -1.179e-07 CH2(S) + NO <=> HCN + OH
253 -2.184e-07 CH2(S) + NO <=> H + HCNO
254 -2.584e-07 CH3 + NO <=> H2O + HCN
255 5.104e-08 CH3 + NO <=> H2CN + OH
256 -4.892e-07 HCNN + O <=> CO + H + N2
257 -2.544e-07 HCNN + O <=> HCN + NO
258 3.927e-06 HCNN + O2 <=> HCO + N2 + O
259 -1.037e-07 HCNN + OH <=> H + HCO + N2
260 -5.377e-06 H + HCNN <=> CH2 + N2
261 2.099e-07 HNCO + O <=> CO2 + NH
262 -1.545e-11 HNCO + O <=> CO + HNO
263 -8.276e-09 HNCO + O <=> NCO + OH
264 -2.094e-06 H + HNCO <=> CO + NH2
265 9.839e-08 H + HNCO <=> H2 + NCO
266 -8.558e-08 HNCO + OH <=> H2O + NCO
267 8.794e-08 HNCO + OH <=> CO2 + NH2
268 -1.187e-08 HNCO + M <=> CO + NH + M
269 -5.218e-08 H + HCNO <=> H + HNCO
270 3.659e-08 H + HCNO <=> HCN + OH
271 -3.880e-08 H + HCNO <=> CO + NH2
272 -2.861e-08 H + HOCN <=> H + HNCO
273 -1.613e-06 HCCO + NO <=> CO + HCNO
274 3.179e-06 CH3 + N <=> H + H2CN
275 -1.368e-06 CH3 + N <=> H2 + HCN
276 8.449e-08 H + NH3 <=> H2 + NH2
277 1.904e-08 NH3 + OH <=> H2O + NH2
278 2.120e-09 NH3 + O <=> NH2 + OH
279 -2.471e-07 CO2 + NH <=> CO + HNO
280 -3.678e-14 CN + NO2 <=> NCO + NO
281 4.917e-11 NCO + NO2 <=> CO2 + N2O
282 -6.507e-07 CO2 + N <=> CO + NO
283 5.313e-02 CH3 + O => CO + H + H2
284 1.338e-03 C2H4 + O <=> CH2CHO + H
285 -4.622e-04 C2H5 + O <=> CH3CHO + H
286 -1.678e-02 HO2 + OH <=> H2O + O2
287 -2.077e-03 CH3 + OH => CH2O + H2
288 -5.411e-05 CH + H2 (+M) <=> CH3 (+M)
289 3.115e-02 CH2 + O2 => CO2 + 2 H
290 -2.104e-03 CH2 + O2 <=> CH2O + O
291 -3.860e-06 2 CH2 => C2H2 + 2 H
292 -8.246e-04 CH2(S) + H2O => CH2O + H2
293 2.941e-03 C2H3 + O2 <=> CH2CHO + O
294 -2.311e-04 C2H3 + O2 <=> C2H2 + HO2
295 6.867e-05 CH3CHO + O <=> CH2CHO + OH
296 7.613e-06 CH3CHO + O => CH3 + CO + OH
297 7.296e-07 CH3CHO + O2 => CH3 + CO + HO2
298 3.437e-04 CH3CHO + H <=> CH2CHO + H2
299 -2.185e-04 CH3CHO + H => CH3 + CO + H2
300 -2.128e-04 CH3CHO + OH => CH3 + CO + H2O
301 6.531e-08 CH3CHO + HO2 => CH3 + CO + H2O2
302 -2.763e-06 CH3CHO + CH3 => CH4 + CO + CH3
303 1.566e-04 CH2CO + H (+M) <=> CH2CHO (+M)
304 4.367e-04 CH2CHO + O => CH2 + CO2 + H
305 2.410e-06 CH2CHO + O2 => CH2O + CO + OH
306 1.194e-04 CH2CHO + O2 => 2 HCO + OH
307 -2.106e-04 CH2CHO + H <=> CH3 + HCO
308 -1.997e-04 CH2CHO + H <=> CH2CO + H2
309 -1.764e-04 CH2CHO + OH <=> CH2CO + H2O
310 -2.198e-05 CH2CHO + OH <=> CH2OH + HCO
311 -4.019e-05 C2H5 + CH3 (+M) <=> C3H8 (+M)
312 1.863e-05 C3H8 + O <=> C3H7 + OH
313 -8.343e-06 C3H8 + H <=> C3H7 + H2
314 -5.256e-06 C3H8 + OH <=> C3H7 + H2O
315 2.044e-08 C3H7 + H2O2 <=> C3H8 + HO2
316 1.419e-07 C3H8 + CH3 <=> C3H7 + CH4
317 5.949e-05 C2H4 + CH3 (+M) <=> C3H7 (+M)
318 -2.666e-05 C3H7 + O <=> C2H5 + CH2O
319 -1.393e-06 C3H7 + H (+M) <=> C3H8 (+M)
320 -2.258e-05 C3H7 + H <=> C2H5 + CH3
321 -4.641e-06 C3H7 + OH <=> C2H5 + CH2OH
322 -1.193e-07 C3H7 + HO2 <=> C3H8 + O2
323 1.571e-07 C3H7 + HO2 => C2H5 + CH2O + OH
324 -5.196e-07 C3H7 + CH3 <=> 2 C2H5
import cantera as ct
# Simulation parameters
p = ct.one_atm # pressure [Pa]
Tin = 300.0 # unburned gas temperature [K]
reactants = 'CH4:0.45, O2:1.0, N2:3.76'
width = 0.03 # m
# Solution object used to compute mixture properties
gas = ct.Solution('gri30.yaml')
gas.TPX = Tin, p, reactants
# Flame object
f = ct.FreeFlame(gas, width=width)
f.set_refine_criteria(ratio=3, slope=0.07, curve=0.14)
f.solve(loglevel=1, auto=True)
print(f"\nmixture-averaged flamespeed = {f.velocity[0]:7f} m/s\n")
# Use the adjoint method to calculate sensitivities
sens = f.get_flame_speed_reaction_sensitivities()
print()
print('Rxn # k/S*dS/dk Reaction Equation')
print('----- ---------- ----------------------------------')
for m in range(gas.n_reactions):
print(f"{m: 5d} {sens[m]: 10.3e} {gas.reaction(m).equation}")
Total running time of the script: (0 minutes 14.037 seconds)