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data.yaml
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generator: ck2yaml
input-files: [data.inp]
cantera-version: 2.5.1
date: Wed, 03 Mar 2021 16:47:15 -0500
units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol}
phases:
- name: h2o2
thermo: ideal-gas
species: all
species:
- name: H
composition: {H: 1}
thermo:
model: NASA9
temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
data:
- [0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0, 2.547370801e+04, -0.446682853]
- [60.7877425, -0.1819354417, 2.500211817, -1.226512864e-07, 3.73287633e-11,
-5.68774456e-15, 3.410210197e-19, 2.547486398e+04, -0.448191777]
- [2.173757694e+08, -1.312035403e+05, 33.991742, -3.81399968e-03, 2.432854837e-07,
-7.69427554e-12, 9.64410563e-17, 1.067638086e+06, -274.2301051]
note: D0(H2):Herzberg,1970. Moore,1972. Gordon,1999. [g 6/97]
- name: HO2
composition: {H: 1, O: 2}
thermo:
model: NASA9
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [-7.59888254e+04, 1329.383918, -4.67738824, 0.02508308202, -3.006551588e-05,
1.895600056e-08, -4.82856739e-12, -5873.35096, 51.9360214]
- [-1.810669724e+06, 4963.19203, -1.039498992, 4.56014853e-03, -1.061859447e-06,
1.144567878e-10, -4.76306416e-15, -3.20081719e+04, 40.6685092]
note: Hf:Hills,1984 & NASA data. Jacox,1998 p153. [g 4/02]
- name: H2
composition: {H: 2}
thermo:
model: NASA9
temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
data:
- [4.07832321e+04, -800.918604, 8.21470201, -0.01269714457, 1.753605076e-05,
-1.20286027e-08, 3.36809349e-12, 2682.484665, -30.43788844]
- [5.60812801e+05, -837.150474, 2.975364532, 1.252249124e-03, -3.74071619e-07,
5.9366252e-11, -3.6069941e-15, 5339.82441, -2.202774769]
- [4.96688412e+08, -3.147547149e+05, 79.8412188, -8.41478921e-03, 4.75324835e-07,
-1.371873492e-11, 1.605461756e-16, 2.488433516e+06, -669.572811]
note: Ref-Elm. Gurvich,1978 pt1 p103 pt2 p31. [tpis78]
- name: H2O
composition: {H: 2, O: 1}
thermo:
model: NASA9
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [-3.94796083e+04, 575.573102, 0.931782653, 7.22271286e-03, -7.34255737e-06,
4.95504349e-09, -1.336933246e-12, -3.30397431e+04, 17.24205775]
- [1.034972096e+06, -2412.698562, 4.64611078, 2.291998307e-03, -6.83683048e-07,
9.42646893e-11, -4.82238053e-15, -1.384286509e+04, -7.97814851]
note: Hf:Cox,1989. Woolley,1987. TRC(10/88) tuv25. [g 8/89]
- name: H2O2
composition: {H: 2, O: 2}
thermo:
model: NASA9
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [-9.27953358e+04, 1564.748385, -5.97646014, 0.0327074452, -3.93219326e-05,
2.509255235e-08, -6.46504529e-12, -2.494004728e+04, 58.7717418]
- [1.489428027e+06, -5170.82178, 11.2820497, -8.04239779e-05, -1.818383769e-08,
6.94726559e-12, -4.8278319e-16, 1.418251038e+04, -46.5085566]
note: Hf:Gurvich,1989 pt1 p127. Gurvich,1978 pt1 p121. [g 6/99]
- name: O
composition: {O: 1}
thermo:
model: NASA9
temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
data:
- [-7953.6113, 160.7177787, 1.966226438, 1.01367031e-03, -1.110415423e-06,
6.5175075e-10, -1.584779251e-13, 2.840362437e+04, 8.40424182]
- [2.619020262e+05, -729.872203, 3.31717727, -4.28133436e-04, 1.036104594e-07,
-9.43830433e-12, 2.725038297e-16, 3.39242806e+04, -0.667958535]
- [1.779004264e+08, -1.082328257e+05, 28.10778365, -2.975232262e-03,
1.854997534e-07, -5.79623154e-12, 7.191720164e-17, 8.89094263e+05,
-218.1728151]
note: D0(O2):Brix,1954. Moore,1976. Gordon,1999. [g 5/97]
- name: OH
composition: {O: 1, H: 1}
thermo:
model: NASA9
temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
data:
- [-1998.85899, 93.0013616, 3.050854229, 1.529529288e-03, -3.157890998e-06,
3.31544618e-09, -1.138762683e-12, 2991.214235, 4.67411079]
- [1.017393379e+06, -2509.957276, 5.11654786, 1.30529993e-04, -8.28432226e-08,
2.006475941e-11, -1.556993656e-15, 2.019640206e+04, -11.01282337]
- [2.847234193e+08, -1.859532612e+05, 50.082409, -5.14237498e-03, 2.875536589e-07,
-8.22881796e-12, 9.56722902e-17, 1.468393908e+06, -402.355558]
note: 'D0(H-OH): Ruscic,2002. Gurvich,1978 pt1 p110 pt2 p37. [g 4/02]'
- name: O2
composition: {O: 2}
thermo:
model: NASA9
temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
data:
- [-3.42556342e+04, 484.700097, 1.119010961, 4.29388924e-03, -6.83630052e-07,
-2.0233727e-09, 1.039040018e-12, -3391.45487, 18.4969947]
- [-1.037939022e+06, 2344.830282, 1.819732036, 1.267847582e-03, -2.188067988e-07,
2.053719572e-11, -8.19346705e-16, -1.689010929e+04, 17.38716506]
- [4.9752943e+08, -2.866106874e+05, 66.9035225, -6.16995902e-03, 3.016396027e-07,
-7.4214166e-12, 7.27817577e-17, 2.293554027e+06, -553.062161]
note: Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9. [tpis89]
# - name: H2O(cr)
# composition: {H: 2, O: 1}
# thermo:
# model: NASA9
# temperature-ranges: [200.0, 273.15]
# data:
# - [-4.02677748e+05, 2747.887946, 57.3833663, -0.826791524, 4.41308798e-03,
# -1.054251164e-05, 9.69449597e-09, -5.53031499e+04, -190.2572063]
# note: Ice. Gordon,1982. [g11/99]
# - name: H2O(L)
# composition: {H: 2, O: 1}
# thermo:
# model: NASA9
# temperature-ranges: [273.15, 373.15, 600.0]
# data:
# - [1.326371304e+09, -2.448295388e+07, 1.879428776e+05, -767.899505,
# 1.761556813, -2.151167128e-03, 1.092570813e-06, 1.101760476e+08, -9.77970097e+05]
# - [1.263631001e+09, -1.680380249e+07, 9.27823479e+04, -272.237395, 0.447924376,
# -3.91939743e-04, 1.425743266e-07, 8.11317688e+07, -5.13441808e+05]
# note: Liquid. Cox,1989. Haar,1984. Keenan,1984. Stimson,1969. [g 8/01]
- name: H2(L)
composition: {H: 2}
thermo:
model: constant-cp
T0: 20.27
h0: -9012.0
- name: O2(L)
composition: {O: 2}
thermo:
model: constant-cp
T0: 90.17
h0: -12979.0