Files
cantera/test/data/IdealMolalSolnPhaseExample.yaml
Ray Speth fd96d5e206 [Test] Use YAML input files as reference for ctml2yaml tests
This is necessary so these tests can be retained after the XML format
is removed and only the ctml2yaml conversion tool remains.
2022-01-05 17:36:04 -05:00

84 lines
2.2 KiB
YAML

description: Totally made up data just to test the CTML->YAML converter
generator: ctml2yaml
cantera-version: 2.6.0a3
date: Sat, 18 Dec 2021 14:14:41 -0500
input-files: [test/data/IdealMolalSolnPhaseExample.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: ideal-molal-solution
cutoff:
model: none
gamma_o: 1.0
gamma_k: 1.0
X_o: 1.0
c_0: 1.0
slope_f: 1.0
slope_g: 1.0
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: Shomate
temperature-ranges: [293.15, 593.15]
data:
- [-5.799347558e+04, 3.05112604e+05, -5.922221591e+05, 4.019779827e+05, 804.419598,
1.062524901e+04, -1.337962298e+05]
equation-of-state:
model: constant-volume
molar-volume: 8.34e-03
- name: Cl-
composition: {Cl: 1.0, E: 1.0}
thermo:
model: Shomate
temperature-ranges: [298.0, 623.15]
data:
- [5.66962042e+04, -2.97835978e+05, 5.81426549e+05, -4.01759991e+05, -804.301136,
-1.08738257e+04, 1.30650697e+05]
equation-of-state:
model: constant-volume
molar-volume: 8.34e-03
- 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: 273.15
T-max: 625.15
dimensionless: true
data:
273.15: 0.0
298.15: 0.0
623.15: 0.0
equation-of-state:
model: constant-volume
molar-volume: 0.0
- name: OH-
composition: {O: 1.0, H: 1.0, E: 1.0}
thermo:
model: Shomate
temperature-ranges: [298.0, 623.15]
data:
- [4.467499961e+04, -2.349430414e+05, 4.60522826e+05, -3.206951836e+05, -638.5044716,
-8683.955813, 1.028742667e+05]
equation-of-state:
model: constant-volume
molar-volume: 8.34e-03