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91 lines
2.3 KiB
YAML
91 lines
2.3 KiB
YAML
description: |-
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This is a simple data file for testing purpose only!
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units: {length: cm, quantity: mole, activation-energy: K}
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phases:
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- name: gas
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thermo: ideal-gas
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skip-undeclared-third-bodies: true
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kinetics: gas
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reactions:
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- reactions: declared-species
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transport: ionized-gas
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state:
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T: 300.0
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P: 1.01325e+05
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species:
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- name: O2
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composition: {O: 2}
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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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- [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12,
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-1063.94356, 3.65767573]
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- [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14,
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-1088.45772, 5.45323129]
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transport:
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model: gas
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geometry: linear
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diameter: 3.46
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well-depth: 107.4
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polarizability: 1.131
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rotational-relaxation: 3.8
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note: TPIS89
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- name: E
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composition: {E: 1}
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thermo:
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model: NASA7
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temperature-ranges: [200.0, 1000.0, 6000.0]
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data:
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- [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, -11.7246902]
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- [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, -11.7246902]
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transport:
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model: gas
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geometry: atom
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diameter: 2.05
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well-depth: 145.0
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polarizability: 0.667
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note: gas L10/92
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- name: O2^-
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composition: {E: 1, O: 2}
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thermo:
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model: NASA7
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temperature-ranges: [298.15, 1000.0, 6000.0]
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data:
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- [3.66442522, -9.28741138e-04, 6.45477082e-06, -7.7470338e-09, 2.93332662e-12,
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-6870.76983, 4.35140681]
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- [3.95666294, 5.98141823e-04, -2.12133905e-07, 3.63267581e-11, -2.24989228e-15,
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-7062.87229, 2.27871017]
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transport:
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model: gas
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geometry: linear
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diameter: 3.33
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well-depth: 136.5
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polarizability: 1.424
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note: L4/89
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- name: C10H8
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composition: {C: 10, H: 8}
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thermo:
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model: NASA7
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temperature-ranges: [300.0, 1370.0, 3500.0]
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data:
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- [-8.71832426, 0.108564074, -9.40254318e-05, 4.10014902e-08, -7.10574258e-12,
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1.66434413e+04, 61.5987877]
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- [15.1184828, 0.0389675576, -1.78248658e-05, 3.92092279e-09, -3.39215689e-13,
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1.01121562e+04, -60.9041102]
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transport:
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model: gas
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geometry: nonlinear
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well-depth: 630.4
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diameter: 6.18
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polarizability: 16.5
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rotational-relaxation: 1.0
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reactions:
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- equation: E + O2 + O2 => O2^- + O2 # Kossyi (1992) Eq.45
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type: two-temperature-plasma
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rate-constant: {A: 1.523e+27, b: -1.0, Ea_T: -100, Ea_Te: 700}
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