mirror of
https://github.com/Cantera/cantera.git
synced 2026-08-03 01:49:35 -05:00
Ray Speth
fd96d5e206
This is necessary so these tests can be retained after the XML format is removed and only the ctml2yaml conversion tool remains.
80 lines
2.4 KiB
YAML
80 lines
2.4 KiB
YAML
generator: ck2yaml
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input-files: [explicit-forward-order.inp, dummy-thermo.dat]
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cantera-version: 2.6.0a3
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date: Sun, 05 Dec 2021 22:01:27 -0500
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units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol}
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phases:
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- name: gas
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thermo: ideal-gas
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elements: [H, C, Ar]
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species: [H, AR, R1A, R1B, P1]
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kinetics: gas
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state: {T: 300.0, P: 1 atm}
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species:
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- name: H
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composition: {H: 1}
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thermo:
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model: NASA7
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temperature-ranges: [200.0, 1000.0, 3500.0]
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data:
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- [2.5, 7.05332819e-13, -1.99591964e-15, 2.30081632e-18, -9.27732332e-22,
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2.54736599e+04, -0.446682853]
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- [2.50000001, -2.30842973e-11, 1.61561948e-14, -4.73515235e-18, 4.98197357e-22,
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2.54736599e+04, -0.446682914]
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note: 'NOTE: All of this thermo data is bogus'
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- name: AR
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composition: {Ar: 1}
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thermo:
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model: NASA7
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temperature-ranges: [300.0, 1000.0, 5000.0]
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data:
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- [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366]
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- [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366]
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note: '120186'
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- name: R1A
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composition: {C: 1, H: 4}
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thermo:
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model: NASA7
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temperature-ranges: [200.0, 1000.0, 3500.0]
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data:
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- [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11,
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-1.02466476e+04, -4.64130376]
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- [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13,
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-9468.34459, 18.437318]
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- name: R1B
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composition: {C: 1, H: 4}
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thermo:
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model: NASA7
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temperature-ranges: [200.0, 1000.0, 3500.0]
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data:
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- [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11,
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-1.02466476e+04, -4.64130376]
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- [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13,
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-9468.34459, 18.437318]
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- name: P1
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composition: {C: 2, H: 7}
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thermo:
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model: NASA7
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temperature-ranges: [200.0, 1000.0, 3500.0]
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data:
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- [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11,
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-1.02466476e+04, -4.64130376]
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- [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13,
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-9468.34459, 18.437318]
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reactions:
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- equation: R1A + R1B => H + P1 # Reaction 1
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duplicate: true
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rate-constant: {A: 1.0e+12, b: 0.0, Ea: 2.0e+04}
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orders: {R1A: 1.5, R1B: 0.5}
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- equation: H + P1 => R1A + R1B # Reaction 2
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rate-constant: {A: 5.0e+13, b: -2.0, Ea: 5000.0}
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orders: {P1: 0.2}
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- equation: R1A + R1B => H + P1 # Reaction 3
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duplicate: true
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rate-constant: {A: 1.0e+12, b: 0.0, Ea: 2.0e+04}
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orders: {R1A: 3.0, R1B: 0.0}
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