! generator: yaml2ck
! cantera-version: 3.0.0a4
! date: Mon, 24 Jun 2024 11:34:05 +0200
! input-files: [‘Z22_ZNOx20_H2_20200414.yaml’]
!
! ############################################################# Z22 H2 mechanism + 20 step ZNOx20
! Developed by N. Zettervall FOI, Sweden, 2020-04-14
! #############################################################
ELEM
H O C N
END
SPECIES
O2
N2
H2O
H
O
OH
HO2
H2
H2O2
NO
N2O
NO2
NH3 ! AMONIARUS89
HNO
N
NH2
NH
END
THERMO ALL
200.000 1000.000 6000.000
O2 O 2 G200.000 3500.000 1000.000 1
3.28253784E+00 1.48308754E-03-7.57966669E-07 2.09470555E-10-2.16717794E-14 2
-1.08845772E+03 5.45323129E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06 3
-9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00 4
N2 N 2 G300.000 5000.000 1000.000 1
2.92664000E+00 1.48797680E-03-5.68476000E-07 1.00970380E-10-6.75335100E-15 2
-9.22797700E+02 5.98052800E+00 3.29867700E+00 1.40824040E-03-3.96322200E-06 3
5.64151500E-09-2.44485400E-12-1.02089990E+03 3.95037200E+00 4
H2O H 2O 1 G200.000 3500.000 1000.000 1
3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14 2
-3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06 3
-5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01 4
H H 1 G200.000 3500.000 1000.000 1
2.50000001E+00-2.30842973E-11 1.61561948E-14-4.73515235E-18 4.98197357E-22 2
2.54736599E+04-4.46682914E-01 2.50000000E+00 7.05332819E-13-1.99591964E-15 3
2.30081632E-18-9.27732332E-22 2.54736599E+04-4.46682853E-01 4
O O 1 G200.000 3500.000 1000.000 1
2.56942078E+00-8.59741137E-05 4.19484589E-08-1.00177799E-11 1.22833691E-15 2
2.92175791E+04 4.78433864E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3
-6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 4
OH H 1O 1 G200.000 3500.000 1000.000 1
3.09288767E+00 5.48429716E-04 1.26505228E-07-8.79461556E-11 1.17412376E-14 2
3.85865700E+03 4.47669610E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06 3
-3.88113333E-09 1.36411470E-12 3.61508056E+03-1.03925458E-01 4
HO2 H 1O 2 G200.000 3500.000 1000.000 1
4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14 2
1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05 3
-2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00 4
H2 H 2 G200.000 3500.000 1000.000 1
3.33727920E+00-4.94024731E-05 4.99456778E-07-1.79566394E-10 2.00255376E-14 2
-9.50158922E+02-3.20502331E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3
2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 4
H2O2 H 2O 2 G200.000 3500.000 1000.000 1
4.16500285E+00 4.90831694E-03-1.90139225E-06 3.71185986E-10-2.87908305E-14 2
-1.78617877E+04 2.91615662E+00 4.27611269E+00-5.42822417E-04 1.67335701E-05 3
-2.15770813E-08 8.62454363E-12-1.77025821E+04 3.43505074E+00 4
NO N 1O 1 G200.000 6000.000 1000.000 1
3.26071234E+00 1.19101135E-03-4.29122646E-07 6.94481463E-11-4.03295681E-15 2
9.92143132E+03 6.36900518E+00 4.21859896E+00-4.63988124E-03 1.10443049E-05 3
-9.34055507E-09 2.80554874E-12 9.84509964E+03 2.28061001E+00 4
N2O N 2O 1 G200.000 6000.000 1000.000 1
4.82307290E+00 2.62702510E-03-9.58508720E-07 1.60007120E-10-9.77523020E-15 2
8.07340470E+03-2.20172080E+00 2.25715020E+00 1.13047280E-02-1.36713190E-05 3
9.68198030E-09-2.93071820E-12 8.74177460E+03 1.07579920E+01 4
NO2 N 1O 2 G200.000 6000.000 1000.000 1
4.88475400E+00 2.17239550E-03-8.28069090E-07 1.57475100E-10-1.05108950E-14 2
2.31649820E+03-1.17416950E-01 3.94403120E+00-1.58542900E-03 1.66578120E-05 3
-2.04754260E-08 7.83505640E-12 2.89661800E+03 6.31199190E+00 4
NH3 H 3N 1 G200.000 6000.000 1000.000 1
2.71709692E+00 5.56856338E-03-1.76886396E-06 2.67417260E-10-1.52731419E-14 2
-6.58451989E+03 6.09289837E+00 4.30177808E+00-4.77127330E-03 2.19341619E-05 3
-2.29856489E-08 8.28992268E-12-6.74806394E+03-6.90644393E-01 4
HNO H 1N 1O 1 G200.000 3500.000 1000.000 1
3.16552290E+00 3.00008620E-03-3.94366190E-07-3.85758150E-11 7.08071890E-15 2
1.11944260E+04 7.64778330E+00 4.53524750E+00-5.68539720E-03 1.85198500E-05 3
-1.71882730E-08 5.55832070E-12 1.10398810E+04 1.74319190E+00 4
N N 1 G300.000 5000.000 1000.000 1
2.45026800E+00 1.06614580E-04-7.46533700E-08 1.87965200E-11-1.02598390E-15 2
5.61160400E+04 4.44875800E+00 2.50307100E+00-2.18001800E-05 5.42052900E-08 3
-5.64756000E-11 2.09990400E-14 5.60989000E+04 4.16756600E+00 4
NH2 H 2N 1 G200.000 6000.000 1000.000 1
2.84766110E+00 3.14284530E-03-8.98665570E-07 1.30323570E-10-7.48853560E-15 2
2.18239160E+04 6.47181330E+00 4.20556010E+00-2.13552820E-03 7.26820210E-06 3
-5.93027990E-09 1.80672180E-12 2.15352230E+04-1.46632310E-01 4
NH H 1N 1 G200.000 6000.000 1000.000 1
2.78369290E+00 1.32984290E-03-4.24780470E-07 7.83485040E-11-5.50444700E-15 2
4.21345140E+04 5.74077980E+00 3.49290840E+00 3.11791970E-04-1.48904840E-06 3
2.48164420E-09-1.03569670E-12 4.18942940E+04 1.84832770E+00 4
END
REACTIONS CAL/MOLE MOLE
H2 + O2 => H + HO2 740000.0000000001 2.43 53500.0
H2 + M => 2 H + M 4.570000000000001e+19 -1.4 105100.0
H/1.000E+00/ H2/2.500E+00/ H2O/1.200E+01/ H2O2/1.000E+00/ HO2/1.000E+00/ N2/1.000E+00/ O/1.000E+00/ O2/1.000E+00/ OH/1.000E+00/
H2 + HO2 => H + H2O2 3000000.0000000005 2.0 21000.0
H + O2 => O + OH 245000000000000.03 0.0 16800.0
O + OH => H + O2 12000000000000.002 0.0 690.0
H2 + O => H + OH 18000000000.000004 1.0 8826.0
H + OH => H2 + O 8000000000.000001 1.0 6760.0
H2 + OH => H + H2O 1170000000.0000002 1.3 3626.0
H + H2O => H2 + OH 5090000000.000001 1.3 18588.0
2 OH => H2O + O 600000000.0000001 1.3 0.0
H2O + O => 2 OH 5900000000.000001 1.3 17029.000000000004
H + O2 + M => HO2 + M 1.8000000000000003e+18 -0.8 0.0
H2/1.000E+00/ H2O/6.500E+00/ N2/4.000E-01/ O2/4.000E-01/
H + HO2 => 2 OH 150000000000000.03 0.0 1004.0
H + HO2 => H2 + O2 25000000000000.004 0.0 699.9999999999999
HO2 + OH => H2O + O2 20000000000000.004 0.0 1000.0
2 HO2 => H2O2 + O2 80000000000000.02 0.0 0.0
H2O2 + M => 2 OH + M 1.3000000000000002e+17 0.0 34500.0
2 OH + M => H2O2 + M 986000000000000.2 0.0 -5070.0
H2O2 + OH => H2O + HO2 10000000000000.002 0.0 1800.0
H2O + HO2 => H2O2 + OH 28600000000000.004 0.0 32790.0
H + OH + M => H2O + M 2.2000000000000004e+22 -2.0 0.0
2 H + M => H2 + M 1.8000000000000003e+18 -1.0 0.0
N2 + O => N + NO 14700000000000.002 0.3 75286.81
N + O2 => NO + O 6400000000.000001 1.0 6285.85
N + OH => H + NO 38000000000000.01 0.0 0.0
N + NO => N2 + O 11280000000000.002 0.14 0.0
NO + O (+M) => NO2 (+M) 1300000000000000.2 -0.75 0.0
LOW /9.440000000000002e+24 -2.87 1551.0/
TROE /0.962 10 7962/
H2O/1.000E+01/ N2O/4.400E+00/ NO/1.800E+00/ NO2/6.200E+00/ O2/8.000E-01/
NO2 + M => NO + O + M 1.1000000000000002e+16 0.0 65965.58
H2O/1.625E+01/
H + NO2 => NO + OH 150700000000000.03 0.0 362.0
NO2 + O => NO + O2 5860000000000.001 0.0 -238.0
N2O + O => 2 NO 91500000000000.02 0.0 24000.0
H + N2O => N2 + OH 33100000000.000008 0.0 5090.0
DUPLICATE
H + N2O => N2 + OH 783000000000000.1 0.0 19390.0
DUPLICATE
N2O + OH => HO2 + N2 0.013000000000000003 4.72 36560.0
H2 + N2O => H2O + N2 210000000000000.03 0.0 32500.0
N2 + O + M => N2O + M 18000000000000.004 0.0 22000.0
H2/1.000E+00/ H2O/6.500E+00/ N2/4.000E-01/ O2/4.000E-01/
H2O2 + N2 => NH + NO + OH 10000000000000.002 0.0 34000.0
H + NH => H2 + N 100000000000000.02 0.0 0.0
NH + OH => H + HNO 40000000000000.01 0.0 0.0
NH + O2 => HNO + O 460000.00000000006 2.0 6500.96
HNO + OH => H2O + NO 36000000000000.01 0.0 0.0
H + HNO => H2 + NO 440000000000.00006 0.72 650.1
END
TRANSPORT
O2 1 107.400 3.460 0.000 1.600 3.800
N2 1 97.530 3.620 0.000 1.760 4.000
H2O 2 572.400 2.600 1.840 0.000 4.000
H 0 145.000 2.050 0.000 0.000 0.000
O 0 80.000 2.750 0.000 0.000 0.000
OH 1 80.000 2.750 0.000 0.000 0.000
HO2 2 107.400 3.460 0.000 0.000 1.000
H2 1 38.000 2.920 0.000 0.790 280.000
H2O2 2 107.400 3.460 0.000 0.000 3.800
NO 1 97.530 3.621 0.000 1.760 4.000
N2O 1 232.400 3.828 0.000 0.000 1.000
NO2 2 200.000 3.500 0.000 0.000 1.000
NH3 2 481.000 2.920 1.470 0.000 10.000
HNO 2 116.700 3.492 0.000 0.000 1.000
N 0 71.400 3.298 0.000 0.000 0.000
NH2 2 80.000 2.650 0.000 2.260 4.000
NH 1 80.000 2.650 0.000 0.000 4.000
END