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Ray Speth
9f21d9b2ef
Set the 'reactions' field of the YAML phase definition for such input files to 'none'. Modify co2_RK_example.* input files so that they can be used for testing.
178 lines
4.6 KiB
YAML
178 lines
4.6 KiB
YAML
generator: cti2yaml
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cantera-version: 2.6.0a2
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date: Fri, 30 Apr 2021 17:12:43 -0400
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input-files: [co2_RK_example.cti]
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units: {length: cm, quantity: mol, activation-energy: cal/mol}
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phases:
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- name: carbondioxide
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thermo: Redlich-Kwong
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elements: [C, O, H, N]
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species: [CO2, H2O, H2, CO, CH4, O2, N2]
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transport: multicomponent
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state:
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T: 300.0
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P: 1.01325e+05
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X: {CO2: 0.99, H2: 0.01}
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species:
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- name: H2
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composition: {H: 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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- [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
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-917.935173, 0.683010238]
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- [3.3372792, -4.94024731e-05, 4.99456778e-07, -1.79566394e-10, 2.00255376e-14,
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-950.158922, -3.20502331]
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equation-of-state:
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model: Redlich-Kwong
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a: [1.43319e+11, 0]
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b: 18.42803
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transport:
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model: gas
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geometry: linear
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diameter: 2.92
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well-depth: 38.0
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polarizability: 0.79
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rotational-relaxation: 280.0
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note: TPIS78
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- name: CO
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composition: {C: 1, O: 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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- [3.57953347, -6.1035368e-04, 1.01681433e-06, 9.07005884e-10, -9.04424499e-13,
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-1.4344086e+04, 3.50840928]
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- [2.71518561, 2.06252743e-03, -9.98825771e-07, 2.30053008e-10, -2.03647716e-14,
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-1.41518724e+04, 7.81868772]
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equation-of-state:
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model: Redlich-Kwong
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a: [1.6202612e+12, 0]
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b: 25.83591
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transport:
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model: gas
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geometry: linear
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diameter: 3.65
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well-depth: 98.1
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polarizability: 1.95
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rotational-relaxation: 1.8
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note: TPIS79
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- name: N2
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composition: {N: 2}
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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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- [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12,
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-1020.8999, 3.950372]
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- [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15,
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-922.7977, 5.980528]
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equation-of-state:
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model: Redlich-Kwong
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a: [1.55976e+12, 0]
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b: 26.81725
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transport:
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model: gas
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geometry: linear
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diameter: 3.62
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well-depth: 97.53
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polarizability: 1.76
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rotational-relaxation: 4.0
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note: '121286'
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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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equation-of-state:
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model: Redlich-Kwong
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a: [1.73132e+12, 0]
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b: 22.04783
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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: 1.6
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rotational-relaxation: 3.8
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note: TPIS89
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- name: CO2
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composition: {C: 1, 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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- [2.35677352, 8.98459677e-03, -7.12356269e-06, 2.45919022e-09, -1.43699548e-13,
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-4.83719697e+04, 9.90105222]
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- [3.85746029, 4.41437026e-03, -2.21481404e-06, 5.23490188e-10, -4.72084164e-14,
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-4.8759166e+04, 2.27163806]
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equation-of-state:
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model: Redlich-Kwong
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a: [6.45714e+12, 0]
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b: 29.65792
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binary-a:
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H2O: [7.897e+12, 0]
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transport:
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model: gas
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geometry: linear
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diameter: 3.76
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well-depth: 244.0
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polarizability: 2.65
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rotational-relaxation: 2.1
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note: L 7/88
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- name: CH4
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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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equation-of-state:
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model: Redlich-Kwong
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a: [3.22224e+12, 0]
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b: 29.8483
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transport:
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model: gas
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geometry: nonlinear
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diameter: 3.75
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well-depth: 141.4
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polarizability: 2.6
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rotational-relaxation: 13.0
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note: L 8/88
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- name: H2O
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composition: {H: 2, O: 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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- [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12,
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-3.02937267e+04, -0.849032208]
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- [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14,
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-3.00042971e+04, 4.9667701]
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equation-of-state:
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model: Redlich-Kwong
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a: [1.42674e+13, 0]
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b: 21.12706
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binary-a:
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CO2: [7.897e+12, 0]
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transport:
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model: gas
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geometry: nonlinear
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diameter: 2.6
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well-depth: 572.4
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dipole: 1.85
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rotational-relaxation: 4.0
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note: L 8/89
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