cantera-example-data/co2-thermo.yaml at main · Cantera/cantera-example-data · GitHub

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description: |-
  CO2 phases using different equations of state

units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol}

phases:
- name: CO2-Ideal
  thermo: ideal-gas
  elements: [O, C]
  species: [CO2]
  kinetics: none
  state: {T: 300.0, P: 1 atm}

- name: CO2-RK
  thermo: Redlich-Kwong
  elements: [O, C]
  species: [CO2]
  kinetics: none
  state: {T: 300.0, P: 1 atm}

species:
- name: CO2
  composition: {C: 1, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [2.35677352, 0.00898459677, -7.12356269e-06, 2.45919022e-09, -1.43699548e-13,
      -48371.9697, 9.90105222]
    - [3.85746029, 0.00441437026, -2.21481404e-06, 5.23490188e-10, -4.72084164e-14,
      -48759.166, 2.27163806]
  equation-of-state:
    model: Redlich-Kwong
    units: {length: cm, pressure: bar, quantity: mol}
    a: [7.54e7, -4.13e4]
    b: 27.80