N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N •••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••••• N N N N N N ••••••• N N N N N N ••••••• N N N N N N ••••••• N • N • N • • N • N • N ◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦N ◦◦N ◦N ◦N ◦N ◦N ◦N ◦N ◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦•◦•◦•◦•◦•◦•◦•◦•◦•◦•◦•◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦◦H ◦◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦H ◦ HH NN H N H N H N H N H ••••••• N H H N H N H N H N H N H ••••••• N H H N H N H N H N H N H ••••••• N H • H N • H N • H N • H • N H • N H N H N H H N •••• H N H N H N H N H N H H N ••••••• H N H N H N H N H N H ••••••• H N H N H N H N H N H N H ••••••• N H H N H N H N H N H N H ••••••• N H • H N • H N • H N • H N • H • N H N ••••••• H H N H N ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗ H N H N H N H N H •• N H H N H N ∗∗∗∗∗∗∗∗∗∗∗∗ H N H N H N H ••••••• N H H N H N H N H ∗∗∗∗∗∗∗∗∗∗∗∗ N ∗ H ∗ N H ∗ ••••••• ∗ N H • ∗ H N • ∗ ∗ H • N ∗ H • ∗ N ∗ H • N ∗ H • N ••••••• H N H N H H N ∗∗∗∗∗∗∗∗ H N  H N H N H N H ••• N H  H N H N H ∗∗∗∗∗∗∗∗∗∗∗∗ N H N H N  H ••••••• N H H N H N H N H ∗∗∗∗∗∗∗∗∗∗∗∗  N H N H ••••••• N H N H H N H N H N H ∗∗∗∗∗∗∗∗∗∗∗∗  N H ∗ ••••••• ∗ N H ∗ • N H ∗ • ∗ H N • ∗ H ∗ N • H ∗ H H • H N ∗ H H H ∗ • H N H ∗ H H  • H N••••••  H H H H N H H H H H N H H H H H N H H H H N H ∗∗∗∗∗∗∗∗∗ H H  H N H H H •H H N H H •H H H N H H •H H N H •H H •H N H •H N H H H •H H N H H H ∗∗∗∗∗∗∗∗∗∗∗∗  H  N H ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗ H H H H •••H H H H H • H H H • H H H H • H H  H •  H   •N H  H  H  •N  H H ∗∗∗∗∗∗∗∗∗∗∗∗ H H •N ∗H ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗ H H  H H ∗H H •N H H ∗H H • H ∗H H H ∗H H •N H ∗H •N ∗H H N ∗H •N ∗H N  •N  ∗H H   N ∗H •N H H   H ∗   •N H N ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗ ∗ H H  ∗∗∗ H  • ∗ H N H H  ∗ H •  H H ∗ N  H H • ∗  ∗ H H ∗ N  H ∗ ∗  • H  ∗  H H  ∗ ∗   H ∗ N •  ∗ ∗ H   H ∗ H  ∗  ∗ H  • N ∗ H  H ∗  ∗ H ∗  H H ∗∗∗∗∗∗∗∗∗∗ H H H ∗∗∗∗∗ ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗ H H ∗ H ••• ∗ H ∗ H H ∗ •N H ∗ ∗ H H ∗ H •N ∗ H ∗ H H ∗ H •N ∗ H ∗ H H ∗ H •N ∗ ∗ H H ∗ H ∗ •N H ∗  N ∗ H   H ∗ H ∗  ∗ •N   H ∗  ∗ H ∗  H  ∗ H   ∗ ∗ H  ∗HH ∗H ∗H H ∗∗∗∗∗∗∗∗∗ ∗H ∗H ∗H ∗H ∗H ∗H ∗H ∗H ∗H H ∗H ∗H ∗H ∗H ∗H H ∗H ∗H H H H H ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗H H H H H  H H H H H H  H H H H H  H H  H H H  H H  H  H  ∗∗∗∗∗∗∗∗∗∗∗∗ ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗ H  H H  H   H  H  H   H  H  H  H  H   H  H  H  H  H  H  H  H H  H   H  H H  H  H  ∗∗∗∗∗∗∗∗∗∗∗∗ ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗ H  H  H ∗H  H H  H  ∗H  H  ∗H H H  H  ∗H H  H  H  H  H  H   H  H  H  H   H  H  H  H   H  H  H  H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H                                                                                    ∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗∗ ∗H ∗H ∗H ∗H H ∗H ∗H ∗H ∗H

initial guess

0.0

2.5

5.0

7.5 10.0 Distance [10−3 m]

12.5

15.0

YH2 /10−1 YO2 /100 ∗ YHO /10−5 2

H

H







N • H ◦

∗ 

∗ ∗∗ H 

2400 2100 1800 1500 1200 900 600 300 0 17.5

1.0 0.9 0.8 0.7 0.6 0.5 0.4 0.3 0.2 0.1 0.0

H2

16.0 14.0 12.0 10.0 8.0 6.0 4.0 2.0 0.0



Temperature [K]

Velocity [m s−1 ]



Scaled species mass fractions [-] Y ,YH ,YO ,YO2 , YOH ,YH2 O , YHO2 , YH2 O2 ,YN2

P0 =1.0 bar, T0 =298.15 K, φ=1.0, H2 :O2 :N2 = 2.0:1.0:3.76 N N N N Temperature H H • • • • Velocity −3 H H H H Y /10−4 YO /10 H ∗ ∗ ∗ ∗ YOH /10−2 ∗ ∗ ∗ ∗ YH O /100 ∗ ∗ 2 ◦ ◦ ◦ ◦ YN /100 ∗ ∗ ∗ ∗ YH O /10−6 2 2 2

initial guess 0.0 2.5 5.0 7.5 10.0 12.5 15.0 17.5 ... -

0.0. 2.5. 5.0. 7.5. 10.0. 12.5. 15.0. 17.5. Distance [10−3 m]. 0. 300. 600. 900. 1200. 1500. 1800. 2100. 2400. T em p eratu re. [K. ] 0.0. 0.1. 0.2. 0.3. 0.4. 0.5. 0.6.

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