# This file is part of BurnMan - a thermoelastic and thermodynamic toolkit for the Earth and Planetary Sciences
# Copyright (C) 2012 - 2017 by the BurnMan team, released under the GNU
# GPL v2 or later.
"""
HP_2011_fluids
^^^^^^^^^^^^^^
Fluids from Holland and Powell 2011 and references therein.
CORK parameters are taken from various sources.
CHO gases from Holland and Powell, 1991:
- ["CO2",304.2,0.0738]
- ["CH4",190.6,0.0460]
- ["H2",41.2,0.0211]
- ["CO",132.9,0.0350]
H2O and S2 from Wikipedia, 2012/10/23:
- ["H2O",647.096,0.22060]
- ["S2",1314.00,0.21000]
H2S from ancyclopedia.airliquide.com, 2012/10/23:
- ["H2S",373.15,0.08937]
NB: Units for cork[i] in Holland and Powell datasets are:
- a = kJ^2/kbar*K^(1/2)/mol^2: multiply by 1e-2
- b = kJ/kbar/mol: multiply by 1e-5
- c = kJ/kbar^1.5/mol: multiply by 1e-9
- d = kJ/kbar^2/mol: multiply by 1e-13
Individual terms are divided through by P, P, P^1.5, P^2, so:
- [0][j]: multiply by 1e6
- [1][j]: multiply by 1e3
- [2][j]: multiply by 1e3
- [3][j]: multiply by 1e3
- cork_P is given in kbar: multiply by 1e8
"""
from __future__ import absolute_import
from ..classes.mineral import Mineral
from ..utils.chemistry import dictionarize_formula, formula_mass
[docs]class CO2(Mineral):
def __init__(self):
formula = "CO2"
formula = dictionarize_formula(formula)
self.params = {
"name": "carbon dioxide",
"formula": formula,
"equation_of_state": "cork",
"cork_params": [
[5.45963e1, -8.63920e0],
[9.18301e-1],
[-3.30558e-2, 2.30524e-3],
[6.93054e-4, -8.38293e-5],
],
"cork_T": 304.2,
"cork_P": 0.0738e8,
"H_0": -393.51e3,
"S_0": 213.7,
"Cp": [87.8, -2.644e-3, 706.4e3, -998.9],
"n": sum(formula.values()),
"molar_mass": formula_mass(formula),
}
Mineral.__init__(self)
[docs]class CH4(Mineral):
def __init__(self):
formula = "CH4"
formula = dictionarize_formula(formula)
self.params = {
"name": "methane",
"formula": formula,
"equation_of_state": "cork",
"cork_params": [
[5.45963e1, -8.63920e0],
[9.18301e-1],
[-3.30558e-2, 2.30524e-3],
[6.93054e-4, -8.38293e-5],
],
"cork_T": 190.6,
"cork_P": 0.0460e8,
"H_0": -74.81e3,
"S_0": 186.26,
"Cp": [150.1, 0.002063, 3427700.0, -2650.4],
"n": sum(formula.values()),
"molar_mass": formula_mass(formula),
}
Mineral.__init__(self)
[docs]class O2(Mineral):
def __init__(self):
formula = "O2"
formula = dictionarize_formula(formula)
self.params = {
"name": "oxygen",
"formula": formula,
"equation_of_state": "cork",
"cork_params": [
[5.45963e1, -8.63920e0],
[9.18301e-1],
[-3.30558e-2, 2.30524e-3],
[6.93054e-4, -8.38293e-5],
],
"cork_T": 0.0,
"cork_P": 1.0e5,
"H_0": 0.0,
"S_0": 205.2,
"Cp": [48.3, -0.000691, 499200.0, -420.7],
"n": sum(formula.values()),
"molar_mass": formula_mass(formula),
}
Mineral.__init__(self)
[docs]class H2(Mineral):
def __init__(self):
formula = "H2"
formula = dictionarize_formula(formula)
self.params = {
"name": "hydrogen",
"formula": formula,
"equation_of_state": "cork",
"cork_params": [
[5.45963e1, -8.63920e0],
[9.18301e-1],
[-3.30558e-2, 2.30524e-3],
[6.93054e-4, -8.38293e-5],
],
"cork_T": 41.2,
"cork_P": 0.0211e8,
"H_0": 0.0,
"S_0": 130.7,
"Cp": [23.3, 0.004627, 0.0, 76.3],
"n": sum(formula.values()),
"molar_mass": formula_mass(formula),
}
Mineral.__init__(self)
[docs]class S2(Mineral):
def __init__(self):
formula = "S2"
formula = dictionarize_formula(formula)
self.params = {
"name": "sulfur",
"formula": formula,
"equation_of_state": "cork",
"cork_params": [
[5.45963e1, -8.63920e0],
[9.18301e-1],
[-3.30558e-2, 2.30524e-3],
[6.93054e-4, -8.38293e-5],
],
"cork_T": 1314.00,
"cork_P": 0.21000e8,
"H_0": 128.54e3,
"S_0": 231.0,
"Cp": [37.1, 0.002398, -161000.0, -65.0],
"n": sum(formula.values()),
"molar_mass": formula_mass(formula),
}
Mineral.__init__(self)
[docs]class H2S(Mineral):
def __init__(self):
formula = "H2S"
formula = dictionarize_formula(formula)
self.params = {
"name": "hydrogen sulfide",
"formula": formula,
"equation_of_state": "cork",
"cork_params": [
[5.45963e1, -8.63920e0],
[9.18301e-1],
[-3.30558e-2, 2.30524e-3],
[6.93054e-4, -8.38293e-5],
],
"cork_T": 373.15,
"cork_P": 0.08937e8,
"H_0": 128.54e3,
"S_0": 231.0,
"Cp": [47.4, 0.010240, 615900.0, -397.8],
"n": sum(formula.values()),
"molar_mass": formula_mass(formula),
}
Mineral.__init__(self)