description: |-
  This is a test input file for interface Blowers Masel reaction tests.
  While input data are adapted from Deutschmann et al., they are not 
  physically relevant, and thus should only be used for testing purposes.
  See https://www.detchem.com/mechanisms for original model.
  Ref:- 1.) Deutschmann et al., 26th Symp. (Intl.) on Combustion, 1996
            pp. 1747-1754
  -----------------------------------------------------------------------   

generator: cti2yaml + manual edits
cantera-version: 2.5.0
date: Wed, 11 Dec 2019 16:59:14 -0500
input-files: [ptcombust.cti]

units: {length: cm, quantity: mol, activation-energy: J/mol}

phases:
- name: gas
  thermo: ideal-gas
  elements: [O, H, C, N, Ar]
  species:
  - gri30.yaml/species: [H2, H, O, O2, OH, H2O, CH4, AR, N2]
  skip-undeclared-elements: true
  kinetics: gas
  reactions: [gas-reactions]
  transport: mixture-averaged
  state:
    T: 300.0
    P: 1.01325e+05
- name: Pt_surf
  thermo: ideal-surface
  adjacent-phases: [gas]
  elements: [Pt, H, O, C]
  species:
  - ptcombust.yaml/species: [PT(S), H(S), H2O(S), OH(S), O(S)]
  kinetics: surface
  reactions: [Pt-reactions]
  state:
    T: 900.0
    coverages: {O(S): 0.0, PT(S): 0.5, H(S): 0.5}
  site-density: 2.7063e-09
- name: Pt_motz_wise
  thermo: ideal-surface
  adjacent-phases: [gas]
  elements: [Pt, H, O, C]
  species:
  - ptcombust.yaml/species: [PT(S), H(S), H2O(S), OH(S), O(S)]
  kinetics: surface
  reactions: [Pt-reactions]
  state:
    T: 900.0
    coverages: {O(S): 0.0, PT(S): 0.5, H(S): 0.5}
  site-density: 2.7063e-09
  Motz-Wise: true

gas-reactions:
- equation: O + H2 <=> H + OH  # Reaction 1
  type: Blowers-Masel
  rate-constant: {A: 38700, b: 2.7, Ea0: 2.619184e4, w: 4.184e9}

Pt-reactions:
- equation: 2 H(S) => H2 + 2 PT(S)  # Reaction 1
  type: Blowers-Masel
  rate-constant: {A: 3.7e+21, b: 0, Ea0: 67400, w: 1000000}
  coverage-dependencies:
    H(S): {a: 0.0, m: 0.0, E: -6000.0}
- equation: H + PT(S) => H(S)  # Reaction 2
  type: Blowers-Masel
  sticking-coefficient: {A: 1.0, b: 0, Ea0: 0, w: 1000000}
- equation: H2O + PT(S) => H2O(S)  # Reaction 3
  type: Blowers-Masel
  sticking-coefficient: {A: 0.75, b: 0, Ea0: 0, w: 1000000}
- equation: O2 + 2 PT(S) => 2 O(S)  # Reaction 4
  type: Blowers-Masel
  sticking-coefficient: {A: 0.023, b: 0, Ea0: 0, w: 1000000}
  Motz-Wise: false
- equation: OH + PT(S) => OH(S)  # Reaction 5
  type: Blowers-Masel
  sticking-coefficient: {A: 1.0, b: 0, Ea0: 0, w: 100000}
  Motz-Wise: true
- equation: H2 + 2 PT(s) => 2 H(s)  # Reaction 6
  type: Blowers-Masel
  rate-constant: {A: 4.4579e10, b: 0.5, Ea0: 0.0, w: 1000000}
  orders: {H2: 1.0, PT(s): 1.0}
