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70 lines
2.1 KiB
YAML
70 lines
2.1 KiB
YAML
generator: ctml2yaml
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cantera-version: 2.6.0a2
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date: Sun, 16 May 2021 09:36:36 -0400
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input-files: [test/data/IdealSolidSolnPhaseExample.xml]
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phases:
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- name: solidSolutionExample
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elements: [H, C]
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species:
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- species_solidSolution: [C2H2-graph, C-graph, H2-solute]
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thermo: ideal-condensed
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state: {T: 500.0 K}
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standard-concentration-basis: unity
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- name: VpssSolidSolutionExample
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elements: [H, C]
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species:
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- species_solidSolution: [C2H2-graph, C-graph, H2-solute]
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thermo: ideal-solution-VPSS
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state: {T: 500.0 K}
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standard-concentration-basis: unity
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species_solidSolution:
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- name: C2H2-graph
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composition: {C: 2.0, H: 2.0}
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note: This corresponds to new soot
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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: constant-volume
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molar-volume: 1.5
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- name: C-graph
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composition: {C: 1.0}
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note: This corresponds to old soot
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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: constant-volume
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molar-volume: 1.3
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- name: H2-solute
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composition: {H: 2.0}
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note: This species diffuses back into the gas phase
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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: constant-volume
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molar-volume: 0.1
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reactions_solidSolution:
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- id: bulk_rxn_1
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equation: C2H2-graph <=> H2-solute + 2 C-graph
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rate-constant: {A: 1.0e+10, b: 0.0, Ea: 1.0e+04 cal/mol}
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