# 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., -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.,
'cork_P': 1.0e5,
'H_0': 0.,
'S_0': 205.2,
'Cp': [48.3, -0.000691, 499200., -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.,
'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., -397.8],
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
Mineral.__init__(self)