generator: ck2yaml
input-files: [chem.inp, therm.dat, surf.inp]
cantera-version: 2.5.0b1
date: Mon, 11 Jan 2021 17:32:09 -0700

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

phases:
- name: gas
  thermo: ideal-gas
  elements: [H, N, Ru]
  species: [H2, NH3, N2]
  state: {T: 300.0, P: 1 atm}
- name: Ru_surface
  thermo: ideal-surface
  elements: [H, N, Ru]
  species: [Ru(s), N(s), H(s)]
  site-density: 2.9e-09
  Motz-Wise: false
  kinetics: surface
  state: {T: 300.0, P: 1 atm}

species:
- name: H2
  composition: {H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.298124, 8.249441e-04, -8.143015e-07, -9.475434e-11, 4.134872e-13,
      -1012.5209, -3.294094]
    - [2.991423, 7.000644e-04, -5.633828e-08, -9.231578e-12, 1.5827519e-15,
      -835.034, -1.3551101]
    note: '121286'
- name: NH3
  composition: {N: 1, H: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.204351, 0.010114765, -1.4652648e-05, 1.447235e-08, -5.328509e-12,
      -6525.488, 8.127138]
    - [2.461904, 6.059166e-03, -2.004976e-06, 3.136003e-10, -1.938317e-14,
      -6493.269, 7.472097]
    note: |-
      121386
       FROM GRI MECHANISM
- name: N2
  composition: {N: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.298677, 1.40824e-03, -3.963222e-06, 5.641515e-09, -2.444855e-12,
      -1020.9, 3.950372]
    - [2.92664, 1.487977e-03, -5.684761e-07, 1.009704e-10, -6.753351e-15,
      -922.7977, 5.980528]
    note: '121286'
- name: Ru(s)
  composition: {Ru: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
    - [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
- name: N(s)
  composition: {N: 1, Ru: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
    - [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
- name: H(s)
  composition: {H: 1, Ru: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]
    - [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]

reactions:
- equation: N2 + Ru(s) + Ru(s) => N(s) + N(s)  # Reaction -1
  sticking-coefficient: {A: 5.16e-05, b: 0.0, Ea: 32.842}
  coverage-dependencies: {}
- equation: H2 + Ru(s) + Ru(s) => H(s) + H(s)  # Reaction -1
  sticking-coefficient: {A: 5.625e-03, b: 0.0, Ea: -0.371}
- equation: H(s) + H(s) => Ru(s) + Ru(s) + H2  # Reaction -1
  rate-constant: {A: 1.492e+17, b: 0.489, Ea: 85.249}
  coverage-dependencies: {}