generator: ctml2yaml
cantera-version: 2.6.0a2
date: Sat, 15 May 2021 16:51:15 -0400
input-files: [test_problems/cathermo/HMW_test_1/HMW_NaCl.xml]

phases:
- name: NaCl_electrolyte
  elements: [O, H, C, E, Fe, Si, N, Na, Cl]
  species:
  - species_waterSolution: [H2O(L), Cl-, H+, Na+, OH-]
  thermo: HMW-electrolyte
  activity-data:
    temperature-model: constant
    A_Debye: 1.175930 kg^0.5/gmol^0.5
    interactions:
    - species: [Na+, Cl-]
      beta0: 0.0765
      beta1: 0.2664
      beta2: 0.0
      Cphi: 1.27e-03
      alpha1: 2.0
    - species: [H+, Cl-]
      beta0: 0.1775
      beta1: 0.2945
      beta2: 0.0
      Cphi: 8.0e-04
      alpha1: 2.0
    - species: [Na+, OH-]
      beta0: 0.0864
      beta1: 0.253
      beta2: 0.0
      Cphi: 4.4e-03
      alpha1: 2.0
    - species: [Cl-, OH-]
      theta: -0.05
    - species: [Na+, Cl-, OH-]
      psi: -6.0e-03
    - species: [Na+, H+]
      theta: 0.036
    - species: [Cl-, Na+, H+]
      psi: -4.0e-03
  state: {T: 298.15 K, P: 1.01325e+05 Pa, molalities: {Na+: 6.0954, Cl-: 6.0954, H+: 2.1628e-09,
      OH-: 1.3977e-06}}

species_waterSolution:
- name: H2O(L)
  composition: {H: 2.0, O: 1.0}
  thermo:
    model: NASA7
    temperature-ranges: [273.15, 600.0]
    data:
    - [72.5575005, -0.662445402, 2.56198746e-03, -4.36591923e-06, 2.78178981e-09,
      -4.18865499e+04, -288.280137]
  equation-of-state:
    model: liquid-water-IAPWS95
- name: Na+
  composition: {Na: 1.0, E: -1.0}
  thermo:
    model: piecewise-Gibbs
    reference-pressure: 1.0e+05
    h0: 0.0 cal/mol
    T-min: 200.0
    T-max: 1000.0
    dimensionless: true
    data:
      298.15: -125.5213
      333.15: -125.5213
  equation-of-state:
    model: constant-volume
    molar-volume: 1.3
- name: Cl-
  composition: {Cl: 1.0, E: 1.0}
  thermo:
    model: piecewise-Gibbs
    reference-pressure: 1.0e+05
    h0: 0.0 cal/mol
    T-min: 298.0
    T-max: 333.0
    dimensionless: true
    data:
      298.15: -52.8716
      333.15: -52.8716
  equation-of-state:
    model: constant-volume
    molar-volume: 1.3
- name: H+
  composition: {H: 1.0, E: -1.0}
  thermo:
    model: piecewise-Gibbs
    reference-pressure: 1.0e+05
    h0: 0.0 cal/mol
    T-min: 298.0
    T-max: 333.0
    dimensionless: true
    data:
      298.15: 0.0
      333.15: 0.0
  equation-of-state:
    model: constant-volume
    molar-volume: 1.3
- name: OH-
  composition: {O: 1.0, H: 1.0, E: 1.0}
  thermo:
    model: piecewise-Gibbs
    reference-pressure: 1.0e+05
    h0: 0.0 cal/mol
    T-min: 298.0
    T-max: 333.0
    dimensionless: true
    data:
      298.15: -91.523
      333.15: -91.523
  equation-of-state:
    model: constant-volume
    molar-volume: 1.3
